data_19398 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the forkhead domain of Brugia malayi DAF-16a ; _BMRB_accession_number 19398 _BMRB_flat_file_name bmr19398.str _Entry_type original _Submission_date 2013-07-30 _Accession_date 2013-07-30 _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 Veldkamp C. T. . 2 Peterson F. C. . 3 Casper S. K. . 4 Schoeller S. J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 609 "13C chemical shifts" 423 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-09-10 original author . stop_ _Original_release_date 2013-09-10 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the forkhead domain of Brugia malayi DAF-16a' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Veldkamp C. T. . 2 Peterson F. C. . 3 Casper S. K. . 4 Schoeller S. J. . stop_ _Journal_abbreviation 'To be published' _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Forkhead DNA binding domain of Brugia malayi DAF-16a' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Forkhead DNA binding domain of Brugia malayi DAF-16a' $Bm-DAF-16a 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_Bm-DAF-16a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Bm-DAF-16a _Molecular_mass 11673.083 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; NPWGAESYSDLIAKALKSTF DGRMRLNEIYNWFASNVPYF GNRTSQEQSAGWKNSIRHNL SLHSRFMRIQNEGAGKSSWW VINPDAKPGRNPRRQRSATL E ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 342 ASN 2 343 PRO 3 344 TRP 4 345 GLY 5 346 ALA 6 347 GLU 7 348 SER 8 349 TYR 9 350 SER 10 351 ASP 11 352 LEU 12 353 ILE 13 354 ALA 14 355 LYS 15 356 ALA 16 357 LEU 17 358 LYS 18 359 SER 19 360 THR 20 361 PHE 21 362 ASP 22 363 GLY 23 364 ARG 24 365 MET 25 366 ARG 26 367 LEU 27 368 ASN 28 369 GLU 29 370 ILE 30 371 TYR 31 372 ASN 32 373 TRP 33 374 PHE 34 375 ALA 35 376 SER 36 377 ASN 37 378 VAL 38 379 PRO 39 380 TYR 40 381 PHE 41 382 GLY 42 383 ASN 43 384 ARG 44 385 THR 45 386 SER 46 387 GLN 47 388 GLU 48 389 GLN 49 390 SER 50 391 ALA 51 392 GLY 52 393 TRP 53 394 LYS 54 395 ASN 55 396 SER 56 397 ILE 57 398 ARG 58 399 HIS 59 400 ASN 60 401 LEU 61 402 SER 62 403 LEU 63 404 HIS 64 405 SER 65 406 ARG 66 407 PHE 67 408 MET 68 409 ARG 69 410 ILE 70 411 GLN 71 412 ASN 72 413 GLU 73 414 GLY 74 415 ALA 75 416 GLY 76 417 LYS 77 418 SER 78 419 SER 79 420 TRP 80 421 TRP 81 422 VAL 82 423 ILE 83 424 ASN 84 425 PRO 85 426 ASP 86 427 ALA 87 428 LYS 88 429 PRO 89 430 GLY 90 431 ARG 91 432 ASN 92 433 PRO 93 434 ARG 94 435 ARG 95 436 GLN 96 437 ARG 97 438 SER 98 439 ALA 99 440 THR 100 441 LEU 101 442 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-19 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 2MBF "Solution Structure Of The Forkhead Domain Of Brugia Malayi Daf-16a" 100.00 101 100.00 100.00 3.53e-67 EMBL CDQ02878 "Protein BM-DAF-16, isoform a [Brugia malayi]" 100.00 731 100.00 100.00 7.94e-65 GB EJW78700 "fork head domain-containing protein [Wuchereria bancrofti]" 100.00 468 100.00 100.00 1.97e-66 REF XP_001901487 "Fork head domain containing protein [Brugia malayi]" 100.00 731 100.00 100.00 7.94e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Bm-DAF-16a nematodes 6279 Eukaryota Metazoa Brugia malayi 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 $Bm-DAF-16a 'recombinant technology' . Escherichia coli . pQE30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '0.5mM Bm-DAF-16a-U-15N/13C pH 6.0 20mM sodium phosphate buffer, 50 mM sodium chloride' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Bm-DAF-16a 0.5 mM '[U-98% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D20 10 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.3 loop_ _Vendor _Address _Electronic_address SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TopSpin _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version 2007 loop_ _Vendor _Address _Electronic_address 'Delagio,F. et al.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Vendor _Address _Electronic_address 'C. Bartels' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller, R.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Cyana _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structural calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-separated_NOESY (AROMATIC)' _Sample_label $sample 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' 200 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOESY '3D_13C-separated_NOESY (AROMATIC)' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Forkhead DNA binding domain of Brugia malayi DAF-16a' _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 1 342 1 ASN HA H 3.811 0.002 1 2 342 1 ASN HB2 H 1.417 0.005 2 3 342 1 ASN HB3 H 0.071 0.006 2 4 342 1 ASN HD21 H 6.744 0.020 2 5 342 1 ASN HD22 H 7.105 0.010 2 6 342 1 ASN CA C 52.549 0.100 1 7 342 1 ASN CB C 37.335 0.100 1 8 342 1 ASN ND2 N 117.266 0.003 1 9 343 2 PRO HA H 4.041 0.008 1 10 343 2 PRO HB2 H 1.257 0.003 2 11 343 2 PRO HB3 H 2.236 0.006 2 12 343 2 PRO HG2 H 1.888 0.003 2 13 343 2 PRO HG3 H 1.758 0.020 2 14 343 2 PRO HD2 H 2.717 0.008 2 15 343 2 PRO HD3 H 3.344 0.002 2 16 343 2 PRO C C 174.172 0.100 1 17 343 2 PRO CA C 65.174 0.100 1 18 343 2 PRO CB C 32.480 0.100 1 19 343 2 PRO CG C 27.624 0.100 1 20 343 2 PRO CD C 49.960 0.100 1 21 344 3 TRP H H 9.033 0.020 1 22 344 3 TRP HA H 4.372 0.004 1 23 344 3 TRP HB2 H 3.145 0.020 2 24 344 3 TRP HB3 H 2.291 0.020 2 25 344 3 TRP HD1 H 6.926 0.010 1 26 344 3 TRP HE1 H 10.568 0.006 1 27 344 3 TRP HE3 H 6.507 0.003 1 28 344 3 TRP HZ2 H 7.015 0.011 1 29 344 3 TRP HZ3 H 6.772 0.006 1 30 344 3 TRP HH2 H 7.168 0.006 1 31 344 3 TRP C C 174.887 0.100 1 32 344 3 TRP CA C 56.991 0.100 1 33 344 3 TRP CB C 28.513 0.100 1 34 344 3 TRP CD1 C 127.094 0.100 1 35 344 3 TRP CE3 C 121.691 0.100 1 36 344 3 TRP CZ2 C 114.871 0.100 1 37 344 3 TRP CZ3 C 121.691 0.100 1 38 344 3 TRP CH2 C 125.882 0.100 1 39 344 3 TRP N N 122.425 0.100 1 40 344 3 TRP NE1 N 133.611 0.100 1 41 345 4 GLY H H 6.908 0.009 1 42 345 4 GLY HA2 H 3.650 0.020 2 43 345 4 GLY HA3 H 4.646 0.005 2 44 345 4 GLY C C 172.529 0.025 1 45 345 4 GLY CA C 44.033 0.100 1 46 345 4 GLY N N 111.841 0.032 1 47 346 5 ALA H H 8.381 0.006 1 48 346 5 ALA HA H 4.039 0.020 1 49 346 5 ALA HB H 1.368 0.004 1 50 346 5 ALA C C 179.149 0.008 1 51 346 5 ALA CA C 53.734 0.100 1 52 346 5 ALA CB C 19.817 0.100 1 53 346 5 ALA N N 121.121 0.100 1 54 347 6 GLU H H 8.740 0.007 1 55 347 6 GLU HA H 4.317 0.020 1 56 347 6 GLU HB2 H 2.148 0.007 1 57 347 6 GLU HB3 H 2.148 0.007 1 58 347 6 GLU HG2 H 2.372 0.005 1 59 347 6 GLU HG3 H 2.372 0.005 1 60 347 6 GLU C C 176.616 0.009 1 61 347 6 GLU CA C 58.317 0.100 1 62 347 6 GLU CB C 31.133 0.100 1 63 347 6 GLU CG C 38.112 0.053 1 64 347 6 GLU N N 117.999 0.100 1 65 348 7 SER H H 9.103 0.009 1 66 348 7 SER HA H 4.779 0.002 1 67 348 7 SER HB2 H 4.632 0.020 2 68 348 7 SER HB3 H 4.208 0.020 2 69 348 7 SER C C 175.933 0.008 1 70 348 7 SER CA C 57.600 0.100 1 71 348 7 SER CB C 66.145 0.100 1 72 348 7 SER N N 118.274 0.100 1 73 349 8 TYR H H 9.172 0.003 1 74 349 8 TYR HA H 4.141 0.002 1 75 349 8 TYR HB2 H 3.045 0.002 2 76 349 8 TYR HB3 H 2.659 0.020 2 77 349 8 TYR HD1 H 7.177 0.020 1 78 349 8 TYR HD2 H 7.177 0.020 1 79 349 8 TYR HE1 H 6.770 0.005 1 80 349 8 TYR HE2 H 6.770 0.005 1 81 349 8 TYR C C 179.191 0.001 1 82 349 8 TYR CA C 65.365 0.100 1 83 349 8 TYR CB C 40.294 0.100 1 84 349 8 TYR CD1 C 131.918 0.100 1 85 349 8 TYR N N 118.026 0.100 1 86 350 9 SER H H 8.542 0.005 1 87 350 9 SER HA H 3.925 0.020 1 88 350 9 SER HB2 H 4.232 0.004 1 89 350 9 SER HB3 H 4.232 0.004 1 90 350 9 SER C C 177.172 0.873 1 91 350 9 SER CA C 63.141 0.100 1 92 350 9 SER CB C 62.908 0.100 1 93 350 9 SER N N 112.002 0.100 1 94 351 10 ASP H H 8.115 0.020 1 95 351 10 ASP HA H 4.390 0.002 1 96 351 10 ASP HB2 H 3.118 0.004 2 97 351 10 ASP HB3 H 2.733 0.003 2 98 351 10 ASP C C 179.798 0.061 1 99 351 10 ASP CA C 57.647 0.100 1 100 351 10 ASP CB C 40.893 0.100 1 101 351 10 ASP N N 122.398 0.100 1 102 352 11 LEU H H 8.079 0.006 1 103 352 11 LEU HA H 3.855 0.003 1 104 352 11 LEU HB2 H 1.924 0.004 2 105 352 11 LEU HB3 H 0.694 0.020 2 106 352 11 LEU HG H 1.621 0.020 1 107 352 11 LEU HD1 H 0.316 0.003 2 108 352 11 LEU HD2 H 0.720 0.020 2 109 352 11 LEU C C 177.708 0.021 1 110 352 11 LEU CA C 57.995 0.100 1 111 352 11 LEU CB C 43.408 0.100 1 112 352 11 LEU CG C 26.881 0.100 1 113 352 11 LEU CD1 C 25.971 0.100 1 114 352 11 LEU CD2 C 22.788 0.100 1 115 352 11 LEU N N 121.671 0.100 1 116 353 12 ILE H H 8.636 0.005 1 117 353 12 ILE HA H 3.314 0.001 1 118 353 12 ILE HB H 1.629 0.001 1 119 353 12 ILE HG12 H 2.277 0.020 2 120 353 12 ILE HG13 H 0.572 0.008 2 121 353 12 ILE HG2 H -0.002 0.004 1 122 353 12 ILE HD1 H 0.557 0.020 1 123 353 12 ILE C C 177.400 0.005 1 124 353 12 ILE CA C 66.196 0.100 1 125 353 12 ILE CB C 38.139 0.100 1 126 353 12 ILE CG1 C 29.836 0.100 1 127 353 12 ILE CG2 C 18.696 0.100 1 128 353 12 ILE CD1 C 15.400 0.100 1 129 353 12 ILE N N 119.449 0.100 1 130 354 13 ALA H H 8.071 0.006 1 131 354 13 ALA HA H 4.019 0.004 1 132 354 13 ALA HB H 1.562 0.003 1 133 354 13 ALA C C 179.081 0.008 1 134 354 13 ALA CA C 56.039 0.100 1 135 354 13 ALA CB C 17.961 0.100 1 136 354 13 ALA N N 119.386 0.100 1 137 355 14 LYS H H 7.467 0.007 1 138 355 14 LYS HA H 3.622 0.003 1 139 355 14 LYS HB2 H 1.660 0.001 1 140 355 14 LYS HB3 H 1.660 0.001 1 141 355 14 LYS HG2 H 1.589 0.020 2 142 355 14 LYS HG3 H 1.369 0.020 2 143 355 14 LYS HD2 H 1.782 0.020 2 144 355 14 LYS HD3 H 1.721 0.006 2 145 355 14 LYS HE2 H 3.010 0.020 1 146 355 14 LYS HE3 H 3.010 0.020 1 147 355 14 LYS C C 178.484 0.006 1 148 355 14 LYS CA C 60.220 0.100 1 149 355 14 LYS CB C 33.049 0.100 1 150 355 14 LYS CG C 26.045 0.039 1 151 355 14 LYS CD C 30.518 0.100 1 152 355 14 LYS CE C 42.191 0.100 1 153 355 14 LYS N N 118.475 0.100 1 154 356 15 ALA H H 7.394 0.002 1 155 356 15 ALA HA H 1.794 0.020 1 156 356 15 ALA HB H 0.836 0.020 1 157 356 15 ALA C C 181.060 0.004 1 158 356 15 ALA CA C 54.431 0.100 1 159 356 15 ALA CB C 17.520 0.051 1 160 356 15 ALA N N 123.300 0.100 1 161 357 16 LEU H H 8.157 0.002 1 162 357 16 LEU HA H 3.763 0.020 1 163 357 16 LEU HB2 H 1.784 0.020 2 164 357 16 LEU HB3 H 1.463 0.020 2 165 357 16 LEU HG H 0.812 0.001 1 166 357 16 LEU HD1 H 0.819 0.007 1 167 357 16 LEU HD2 H 0.819 0.007 1 168 357 16 LEU C C 179.849 0.024 1 169 357 16 LEU CA C 58.933 0.100 1 170 357 16 LEU CB C 41.432 0.100 1 171 357 16 LEU CG C 26.653 0.100 1 172 357 16 LEU CD1 C 23.740 0.100 1 173 357 16 LEU CD2 C 24.380 0.100 1 174 357 16 LEU N N 119.048 0.100 1 175 358 17 LYS H H 8.030 0.007 1 176 358 17 LYS HA H 4.202 0.020 1 177 358 17 LYS HB2 H 1.919 0.001 2 178 358 17 LYS HB3 H 1.815 0.020 2 179 358 17 LYS HG2 H 1.653 0.010 2 180 358 17 LYS HG3 H 1.506 0.001 2 181 358 17 LYS HD2 H 1.637 0.020 1 182 358 17 LYS HD3 H 1.637 0.020 1 183 358 17 LYS HE2 H 2.930 0.001 1 184 358 17 LYS HE3 H 2.930 0.001 1 185 358 17 LYS C C 177.102 0.003 1 186 358 17 LYS CA C 57.995 0.100 1 187 358 17 LYS CB C 32.451 0.100 1 188 358 17 LYS CG C 26.006 0.100 1 189 358 17 LYS CD C 29.722 0.100 1 190 358 17 LYS CE C 42.191 0.100 1 191 358 17 LYS N N 117.047 0.100 1 192 359 18 SER H H 7.677 0.005 1 193 359 18 SER HA H 4.404 0.020 1 194 359 18 SER HB2 H 4.281 0.020 2 195 359 18 SER HB3 H 4.088 0.001 2 196 359 18 SER C C 174.525 0.004 1 197 359 18 SER CA C 60.318 0.100 1 198 359 18 SER CB C 64.125 0.100 1 199 359 18 SER N N 114.984 0.100 1 200 360 19 THR H H 7.314 0.005 1 201 360 19 THR HA H 4.799 0.020 1 202 360 19 THR HB H 4.578 0.020 1 203 360 19 THR HG2 H 1.450 0.004 1 204 360 19 THR C C 175.953 0.047 1 205 360 19 THR CA C 60.587 0.100 1 206 360 19 THR CB C 72.208 0.100 1 207 360 19 THR CG2 C 23.243 0.100 1 208 360 19 THR N N 112.795 0.100 1 209 361 20 PHE H H 8.885 0.006 1 210 361 20 PHE HA H 4.439 0.020 1 211 361 20 PHE HB2 H 3.277 0.020 2 212 361 20 PHE HB3 H 3.156 0.020 2 213 361 20 PHE HD1 H 7.323 0.007 1 214 361 20 PHE HD2 H 7.323 0.007 1 215 361 20 PHE HE1 H 7.011 0.007 1 216 361 20 PHE HE2 H 7.011 0.007 1 217 361 20 PHE HZ H 7.330 0.020 1 218 361 20 PHE C C 176.895 0.100 1 219 361 20 PHE CA C 60.533 0.100 1 220 361 20 PHE CB C 38.977 0.100 1 221 361 20 PHE CD2 C 132.897 0.100 1 222 361 20 PHE CE2 C 130.764 0.100 1 223 361 20 PHE N N 121.665 0.100 1 224 362 21 ASP H H 8.132 0.006 1 225 362 21 ASP HA H 4.477 0.020 1 226 362 21 ASP HB2 H 2.643 0.020 2 227 362 21 ASP HB3 H 2.198 0.020 2 228 362 21 ASP C C 177.384 0.422 1 229 362 21 ASP CA C 52.796 0.100 1 230 362 21 ASP CB C 40.833 0.100 1 231 362 21 ASP N N 115.767 0.117 1 232 363 22 GLY H H 7.823 0.007 1 233 363 22 GLY HA2 H 3.880 0.020 1 234 363 22 GLY HA3 H 3.880 0.020 1 235 363 22 GLY C C 173.237 0.001 1 236 363 22 GLY CA C 46.605 0.100 1 237 363 22 GLY N N 110.670 0.100 1 238 364 23 ARG H H 7.269 0.007 1 239 364 23 ARG HA H 5.625 0.009 1 240 364 23 ARG HB2 H 1.477 0.002 1 241 364 23 ARG HB3 H 1.477 0.002 1 242 364 23 ARG HG2 H 1.170 0.020 1 243 364 23 ARG HG3 H 1.170 0.020 1 244 364 23 ARG HD2 H 2.209 0.020 2 245 364 23 ARG HD3 H 2.089 0.020 2 246 364 23 ARG HE H 6.419 0.020 1 247 364 23 ARG C C 175.916 0.009 1 248 364 23 ARG CA C 53.868 0.100 1 249 364 23 ARG CB C 34.307 0.100 1 250 364 23 ARG CG C 25.971 0.100 1 251 364 23 ARG CD C 43.932 0.100 1 252 364 23 ARG N N 114.890 0.100 1 253 364 23 ARG NE N 84.124 0.100 1 254 365 24 MET H H 8.714 0.009 1 255 365 24 MET HA H 5.059 0.020 1 256 365 24 MET HB2 H 2.416 0.005 2 257 365 24 MET HB3 H 1.642 0.020 2 258 365 24 MET HG2 H 2.829 0.020 2 259 365 24 MET HG3 H 2.636 0.020 2 260 365 24 MET HE H 1.982 0.002 1 261 365 24 MET C C 176.445 0.215 1 262 365 24 MET CA C 56.977 0.100 1 263 365 24 MET CB C 40.577 0.077 1 264 365 24 MET CG C 36.688 0.100 1 265 365 24 MET CE C 19.532 0.100 1 266 365 24 MET N N 118.995 0.100 1 267 366 25 ARG H H 9.010 0.009 1 268 366 25 ARG HA H 4.769 0.002 1 269 366 25 ARG HB2 H 1.972 0.020 2 270 366 25 ARG HB3 H 1.537 0.002 2 271 366 25 ARG HG2 H 1.038 0.020 1 272 366 25 ARG HG3 H 1.038 0.020 1 273 366 25 ARG HD2 H 2.812 0.020 2 274 366 25 ARG HD3 H 2.658 0.020 2 275 366 25 ARG C C 178.544 0.014 1 276 366 25 ARG CA C 55.396 0.100 1 277 366 25 ARG CB C 31.672 0.100 1 278 366 25 ARG CG C 27.563 0.100 1 279 366 25 ARG CD C 43.932 0.100 1 280 366 25 ARG N N 121.877 0.100 1 281 367 26 LEU H H 9.188 0.009 1 282 367 26 LEU HA H 3.578 0.020 1 283 367 26 LEU HB2 H 1.536 0.020 1 284 367 26 LEU HB3 H 1.536 0.020 1 285 367 26 LEU HG H 0.898 0.020 1 286 367 26 LEU HD1 H 0.791 0.020 2 287 367 26 LEU HD2 H 0.468 0.005 2 288 367 26 LEU C C 177.691 0.005 1 289 367 26 LEU CA C 59.229 0.100 1 290 367 26 LEU CB C 41.867 0.100 1 291 367 26 LEU CG C 26.653 0.100 1 292 367 26 LEU CD1 C 25.682 0.100 1 293 367 26 LEU CD2 C 24.039 0.100 1 294 367 26 LEU N N 123.889 0.100 1 295 368 27 ASN H H 8.495 0.006 1 296 368 27 ASN HA H 4.139 0.020 1 297 368 27 ASN HB2 H 2.744 0.001 1 298 368 27 ASN HB3 H 2.744 0.001 1 299 368 27 ASN HD21 H 7.660 0.020 2 300 368 27 ASN HD22 H 6.968 0.020 2 301 368 27 ASN C C 177.997 0.014 1 302 368 27 ASN CA C 56.656 0.100 1 303 368 27 ASN CB C 38.019 0.100 1 304 368 27 ASN N N 112.003 0.100 1 305 368 27 ASN ND2 N 113.275 0.122 1 306 369 28 GLU H H 7.138 0.007 1 307 369 28 GLU HA H 4.217 0.001 1 308 369 28 GLU HB2 H 2.637 0.020 2 309 369 28 GLU HB3 H 2.228 0.002 2 310 369 28 GLU HG2 H 2.489 0.001 2 311 369 28 GLU HG3 H 2.365 0.020 2 312 369 28 GLU C C 179.542 0.008 1 313 369 28 GLU CA C 59.243 0.013 1 314 369 28 GLU CB C 29.696 0.100 1 315 369 28 GLU CG C 37.992 0.037 1 316 369 28 GLU N N 118.127 0.100 1 317 370 29 ILE H H 7.828 0.006 1 318 370 29 ILE HA H 3.856 0.001 1 319 370 29 ILE HB H 1.886 0.020 1 320 370 29 ILE HG12 H 0.746 0.020 2 321 370 29 ILE HG13 H 1.791 0.020 2 322 370 29 ILE HG2 H 0.835 0.004 1 323 370 29 ILE HD1 H 0.457 0.004 1 324 370 29 ILE C C 179.098 0.009 1 325 370 29 ILE CA C 66.383 0.100 1 326 370 29 ILE CB C 38.318 0.100 1 327 370 29 ILE CG1 C 29.566 0.100 1 328 370 29 ILE CG2 C 18.884 0.100 1 329 370 29 ILE CD1 C 14.029 0.100 1 330 370 29 ILE N N 124.298 0.100 1 331 371 30 TYR H H 7.977 0.003 1 332 371 30 TYR HA H 4.594 0.003 1 333 371 30 TYR HB2 H 3.447 0.001 2 334 371 30 TYR HB3 H 3.224 0.005 2 335 371 30 TYR HD1 H 6.920 0.010 1 336 371 30 TYR HD2 H 6.920 0.010 1 337 371 30 TYR HE1 H 6.630 0.009 1 338 371 30 TYR HE2 H 6.630 0.009 1 339 371 30 TYR C C 178.123 0.916 1 340 371 30 TYR CA C 58.344 0.100 1 341 371 30 TYR CB C 36.882 0.100 1 342 371 30 TYR CD1 C 130.892 0.100 1 343 371 30 TYR CE1 C 118.232 0.100 1 344 371 30 TYR N N 117.604 0.010 1 345 372 31 ASN H H 8.144 0.020 1 346 372 31 ASN HA H 4.621 0.001 1 347 372 31 ASN HB2 H 3.010 0.006 1 348 372 31 ASN HB3 H 3.010 0.006 1 349 372 31 ASN HD21 H 7.866 0.020 2 350 372 31 ASN HD22 H 6.940 0.020 2 351 372 31 ASN C C 177.792 0.021 1 352 372 31 ASN CA C 56.306 0.100 1 353 372 31 ASN CB C 38.618 0.100 1 354 372 31 ASN N N 115.807 0.120 1 355 372 31 ASN ND2 N 112.175 0.002 1 356 373 32 TRP H H 8.656 0.006 1 357 373 32 TRP HA H 4.005 0.020 1 358 373 32 TRP HB2 H 3.755 0.001 2 359 373 32 TRP HB3 H 3.341 0.005 2 360 373 32 TRP HD1 H 7.217 0.020 1 361 373 32 TRP HE1 H 9.961 0.020 1 362 373 32 TRP HE3 H 7.071 0.005 1 363 373 32 TRP HZ2 H 7.162 0.008 1 364 373 32 TRP HZ3 H 6.043 0.009 1 365 373 32 TRP HH2 H 6.755 0.004 1 366 373 32 TRP C C 180.002 0.007 1 367 373 32 TRP CA C 63.283 0.105 1 368 373 32 TRP CB C 29.816 0.100 1 369 373 32 TRP CD1 C 127.367 0.100 1 370 373 32 TRP CE3 C 121.433 0.100 1 371 373 32 TRP CZ2 C 113.937 0.100 1 372 373 32 TRP CZ3 C 121.433 0.100 1 373 373 32 TRP CH2 C 124.260 0.100 1 374 373 32 TRP N N 124.052 0.100 1 375 373 32 TRP NE1 N 130.057 0.100 1 376 374 33 PHE H H 8.792 0.005 1 377 374 33 PHE HA H 3.716 0.008 1 378 374 33 PHE HB2 H 3.580 0.005 2 379 374 33 PHE HB3 H 1.823 0.020 2 380 374 33 PHE HD1 H 6.553 0.004 1 381 374 33 PHE HD2 H 6.553 0.004 1 382 374 33 PHE HE1 H 7.200 0.020 1 383 374 33 PHE HE2 H 7.200 0.020 1 384 374 33 PHE C C 177.068 0.015 1 385 374 33 PHE CA C 62.874 0.100 1 386 374 33 PHE CB C 40.175 0.100 1 387 374 33 PHE CD2 C 131.597 0.100 1 388 374 33 PHE CE2 C 130.496 0.100 1 389 374 33 PHE N N 121.997 0.097 1 390 375 34 ALA H H 7.781 0.005 1 391 375 34 ALA HA H 3.653 0.020 1 392 375 34 ALA HB H 1.576 0.003 1 393 375 34 ALA C C 178.979 0.010 1 394 375 34 ALA CA C 54.699 0.100 1 395 375 34 ALA CB C 19.338 0.100 1 396 375 34 ALA N N 116.174 0.100 1 397 376 35 SER H H 7.909 0.011 1 398 376 35 SER HA H 4.247 0.020 1 399 376 35 SER HB2 H 3.714 0.001 1 400 376 35 SER HB3 H 3.714 0.001 1 401 376 35 SER C C 175.310 0.002 1 402 376 35 SER CA C 60.568 0.100 1 403 376 35 SER CB C 64.694 0.137 1 404 376 35 SER N N 109.577 0.100 1 405 377 36 ASN H H 7.405 0.007 1 406 377 36 ASN HA H 4.476 0.001 1 407 377 36 ASN HB2 H 0.703 0.001 2 408 377 36 ASN HB3 H 1.641 0.003 2 409 377 36 ASN HD21 H 5.986 0.005 2 410 377 36 ASN HD22 H 6.703 0.005 2 411 377 36 ASN C C 174.184 0.005 1 412 377 36 ASN CA C 54.752 0.100 1 413 377 36 ASN CB C 40.661 0.082 1 414 377 36 ASN N N 114.898 0.100 1 415 377 36 ASN ND2 N 115.996 0.001 1 416 378 37 VAL H H 7.633 0.006 1 417 378 37 VAL HA H 4.640 0.005 1 418 378 37 VAL HB H 2.605 0.001 1 419 378 37 VAL HG1 H 1.078 0.004 2 420 378 37 VAL HG2 H 0.632 0.001 2 421 378 37 VAL C C 174.265 0.100 1 422 378 37 VAL CA C 59.347 0.100 1 423 378 37 VAL CB C 33.127 0.100 1 424 378 37 VAL CG1 C 22.769 0.100 1 425 378 37 VAL CG2 C 20.503 0.100 1 426 378 37 VAL N N 121.731 0.100 1 427 379 38 PRO HA H 4.154 0.001 1 428 379 38 PRO HB2 H 2.307 0.009 2 429 379 38 PRO HB3 H 1.958 0.003 2 430 379 38 PRO HG2 H 2.163 0.002 2 431 379 38 PRO HG3 H 1.955 0.003 2 432 379 38 PRO HD2 H 3.917 0.006 2 433 379 38 PRO HD3 H 3.841 0.007 2 434 379 38 PRO C C 177.422 0.100 1 435 379 38 PRO CA C 66.261 0.100 1 436 379 38 PRO CB C 32.322 0.059 1 437 379 38 PRO CG C 27.449 0.100 1 438 379 38 PRO CD C 51.578 0.100 1 439 380 39 TYR H H 8.530 0.008 1 440 380 39 TYR HA H 3.864 0.001 1 441 380 39 TYR HB2 H 3.178 0.020 2 442 380 39 TYR HB3 H 2.033 0.001 2 443 380 39 TYR HD1 H 5.947 0.005 1 444 380 39 TYR HD2 H 5.947 0.005 1 445 380 39 TYR HE1 H 6.617 0.010 1 446 380 39 TYR HE2 H 6.617 0.010 1 447 380 39 TYR C C 177.491 0.100 1 448 380 39 TYR CA C 62.069 0.100 1 449 380 39 TYR CB C 40.234 0.100 1 450 380 39 TYR CD1 C 133.701 0.100 1 451 380 39 TYR CE1 C 117.917 0.100 1 452 380 39 TYR N N 116.348 0.100 1 453 381 40 PHE H H 7.065 0.005 1 454 381 40 PHE HA H 3.678 0.020 1 455 381 40 PHE HB2 H 2.406 0.020 2 456 381 40 PHE HB3 H 1.733 0.001 2 457 381 40 PHE HD1 H 6.056 0.009 1 458 381 40 PHE HD2 H 6.056 0.009 1 459 381 40 PHE HE1 H 6.681 0.020 1 460 381 40 PHE HE2 H 6.681 0.020 1 461 381 40 PHE HZ H 5.488 0.020 1 462 381 40 PHE C C 178.253 0.003 1 463 381 40 PHE CA C 60.595 0.100 1 464 381 40 PHE CB C 37.421 0.100 1 465 381 40 PHE CD1 C 131.109 0.100 1 466 381 40 PHE CE1 C 131.273 0.100 1 467 381 40 PHE CZ C 131.273 0.100 1 468 381 40 PHE N N 115.378 0.100 1 469 382 41 GLY H H 8.176 0.007 1 470 382 41 GLY HA2 H 3.929 0.005 1 471 382 41 GLY HA3 H 3.929 0.005 1 472 382 41 GLY C C 175.114 0.011 1 473 382 41 GLY CA C 47.972 0.100 1 474 382 41 GLY N N 107.322 0.100 1 475 383 42 ASN H H 7.458 0.006 1 476 383 42 ASN HA H 4.921 0.020 1 477 383 42 ASN HB2 H 2.902 0.020 2 478 383 42 ASN HB3 H 2.535 0.020 2 479 383 42 ASN HD21 H 7.292 0.020 2 480 383 42 ASN HD22 H 6.906 0.020 2 481 383 42 ASN C C 175.370 0.011 1 482 383 42 ASN CA C 53.439 0.100 1 483 383 42 ASN CB C 39.695 0.100 1 484 383 42 ASN N N 116.030 0.100 1 485 383 42 ASN ND2 N 112.398 0.051 1 486 384 43 ARG H H 7.876 0.004 1 487 384 43 ARG HA H 4.751 0.008 1 488 384 43 ARG HB2 H 1.551 0.020 2 489 384 43 ARG HB3 H 2.270 0.005 2 490 384 43 ARG HG2 H 1.358 0.020 1 491 384 43 ARG HG3 H 1.358 0.020 1 492 384 43 ARG HD2 H 2.961 0.020 1 493 384 43 ARG HD3 H 2.961 0.020 1 494 384 43 ARG C C 176.031 0.031 1 495 384 43 ARG CA C 55.074 0.100 1 496 384 43 ARG CB C 31.074 0.100 1 497 384 43 ARG CG C 27.563 0.100 1 498 384 43 ARG CD C 43.136 0.100 1 499 384 43 ARG N N 123.074 0.100 1 500 385 44 THR H H 7.778 0.013 1 501 385 44 THR HA H 4.590 0.003 1 502 385 44 THR HB H 4.522 0.020 1 503 385 44 THR HG2 H 1.488 0.001 1 504 385 44 THR C C 176.794 0.002 1 505 385 44 THR CA C 62.846 0.100 1 506 385 44 THR CB C 70.771 0.100 1 507 385 44 THR CG2 C 23.357 0.100 1 508 385 44 THR N N 108.028 0.100 1 509 386 45 SER H H 8.386 0.006 1 510 386 45 SER C C 175.890 0.100 1 511 386 45 SER CA C 58.671 0.100 1 512 386 45 SER CB C 64.604 0.100 1 513 386 45 SER N N 119.570 0.100 1 514 387 46 GLN HA H 3.872 0.020 1 515 387 46 GLN HB2 H 2.146 0.004 2 516 387 46 GLN HB3 H 2.069 0.001 2 517 387 46 GLN HG2 H 2.393 0.002 1 518 387 46 GLN HG3 H 2.393 0.002 1 519 387 46 GLN HE21 H 7.523 0.020 2 520 387 46 GLN HE22 H 6.829 0.020 2 521 387 46 GLN C C 178.290 0.100 1 522 387 46 GLN CA C 60.266 0.100 1 523 387 46 GLN CB C 28.349 0.084 1 524 387 46 GLN CG C 34.042 0.100 1 525 387 46 GLN NE2 N 112.193 0.004 1 526 388 47 GLU H H 8.851 0.020 1 527 388 47 GLU HA H 4.118 0.002 1 528 388 47 GLU HB2 H 2.052 0.001 2 529 388 47 GLU HB3 H 2.001 0.004 2 530 388 47 GLU HG2 H 2.339 0.001 1 531 388 47 GLU HG3 H 2.339 0.001 1 532 388 47 GLU C C 179.055 0.001 1 533 388 47 GLU CA C 59.576 0.100 1 534 388 47 GLU CB C 29.802 0.048 1 535 388 47 GLU CG C 36.998 0.100 1 536 388 47 GLU N N 116.821 0.100 1 537 389 48 GLN H H 7.634 0.006 1 538 389 48 GLN HA H 4.336 0.002 1 539 389 48 GLN HB2 H 2.008 0.003 1 540 389 48 GLN HB3 H 2.008 0.003 1 541 389 48 GLN HG2 H 2.448 0.020 1 542 389 48 GLN HG3 H 2.448 0.020 1 543 389 48 GLN HE21 H 7.617 0.020 2 544 389 48 GLN HE22 H 6.897 0.020 2 545 389 48 GLN C C 177.801 0.005 1 546 389 48 GLN CA C 57.647 0.100 1 547 389 48 GLN CB C 29.677 0.074 1 548 389 48 GLN CG C 34.838 0.100 1 549 389 48 GLN N N 116.070 0.100 1 550 389 48 GLN NE2 N 111.938 0.050 1 551 390 49 SER H H 8.232 0.006 1 552 390 49 SER HA H 4.217 0.002 1 553 390 49 SER HB2 H 2.902 0.004 1 554 390 49 SER HB3 H 2.902 0.004 1 555 390 49 SER C C 174.713 0.021 1 556 390 49 SER CA C 59.242 0.013 1 557 390 49 SER CB C 65.382 0.100 1 558 390 49 SER N N 113.349 0.100 1 559 391 50 ALA H H 7.064 0.006 1 560 391 50 ALA HA H 3.716 0.005 1 561 391 50 ALA HB H 1.360 0.003 1 562 391 50 ALA C C 180.395 0.006 1 563 391 50 ALA CA C 55.690 0.100 1 564 391 50 ALA CB C 18.320 0.100 1 565 391 50 ALA N N 124.819 0.100 1 566 392 51 GLY H H 8.290 0.007 1 567 392 51 GLY HA2 H 3.893 0.006 2 568 392 51 GLY HA3 H 4.049 0.020 2 569 392 51 GLY C C 176.871 0.011 1 570 392 51 GLY CA C 47.597 0.100 1 571 392 51 GLY N N 104.842 0.100 1 572 393 52 TRP H H 8.078 0.011 1 573 393 52 TRP HA H 4.754 0.020 1 574 393 52 TRP HB2 H 3.817 0.020 2 575 393 52 TRP HB3 H 3.587 0.020 2 576 393 52 TRP HD1 H 7.626 0.005 1 577 393 52 TRP HE1 H 10.558 0.005 1 578 393 52 TRP HE3 H 6.392 0.004 1 579 393 52 TRP HZ2 H 7.280 0.020 1 580 393 52 TRP HZ3 H 7.005 0.020 1 581 393 52 TRP HH2 H 7.168 0.020 1 582 393 52 TRP C C 179.303 0.008 1 583 393 52 TRP CA C 59.469 0.100 1 584 393 52 TRP CB C 30.214 0.100 1 585 393 52 TRP CD1 C 127.888 0.100 1 586 393 52 TRP CE3 C 119.302 0.100 1 587 393 52 TRP CZ2 C 114.125 0.100 1 588 393 52 TRP CZ3 C 122.407 0.100 1 589 393 52 TRP CH2 C 124.063 0.100 1 590 393 52 TRP N N 122.918 0.100 1 591 393 52 TRP NE1 N 130.424 0.100 1 592 394 53 LYS H H 7.719 0.008 1 593 394 53 LYS HA H 3.394 0.002 1 594 394 53 LYS HB2 H 1.116 0.004 2 595 394 53 LYS HB3 H 0.954 0.020 2 596 394 53 LYS HG2 H -0.504 0.002 2 597 394 53 LYS HG3 H -1.164 0.002 2 598 394 53 LYS HD2 H 0.534 0.020 1 599 394 53 LYS HD3 H 0.534 0.020 1 600 394 53 LYS HE2 H 1.940 0.004 2 601 394 53 LYS HE3 H 1.715 0.020 2 602 394 53 LYS C C 179.354 0.008 1 603 394 53 LYS CA C 60.863 0.100 1 604 394 53 LYS CB C 31.732 0.100 1 605 394 53 LYS CG C 26.006 0.100 1 606 394 53 LYS CD C 29.609 0.100 1 607 394 53 LYS CE C 42.191 0.100 1 608 394 53 LYS N N 123.722 0.100 1 609 395 54 ASN H H 7.679 0.020 1 610 395 54 ASN HA H 4.255 0.005 1 611 395 54 ASN HB2 H 2.895 0.003 1 612 395 54 ASN HB3 H 2.895 0.003 1 613 395 54 ASN HD21 H 7.630 0.020 2 614 395 54 ASN HD22 H 6.885 0.020 2 615 395 54 ASN C C 178.194 0.006 1 616 395 54 ASN CA C 56.763 0.100 1 617 395 54 ASN CB C 38.798 0.100 1 618 395 54 ASN N N 118.036 0.100 1 619 395 54 ASN ND2 N 113.522 0.007 1 620 396 55 SER H H 8.228 0.007 1 621 396 55 SER HA H 4.119 0.020 1 622 396 55 SER HB2 H 3.751 0.020 2 623 396 55 SER HB3 H 2.835 0.020 2 624 396 55 SER C C 177.682 0.013 1 625 396 55 SER CA C 63.167 0.100 1 626 396 55 SER CB C 62.449 0.100 1 627 396 55 SER N N 117.816 0.100 1 628 397 56 ILE H H 8.036 0.007 1 629 397 56 ILE HA H 3.253 0.002 1 630 397 56 ILE HB H 2.022 0.020 1 631 397 56 ILE HG12 H 0.215 0.020 2 632 397 56 ILE HG13 H 1.721 0.004 2 633 397 56 ILE HG2 H 0.504 0.020 1 634 397 56 ILE HD1 H 0.057 0.020 1 635 397 56 ILE C C 176.616 0.007 1 636 397 56 ILE CA C 67.027 0.100 1 637 397 56 ILE CB C 38.318 0.100 1 638 397 56 ILE CG1 C 31.314 0.100 1 639 397 56 ILE CG2 C 16.764 0.100 1 640 397 56 ILE CD1 C 14.945 0.100 1 641 397 56 ILE N N 125.811 0.100 1 642 398 57 ARG H H 7.799 0.005 1 643 398 57 ARG HA H 3.642 0.020 1 644 398 57 ARG HB2 H 1.995 0.020 2 645 398 57 ARG HB3 H 1.847 0.020 2 646 398 57 ARG HG2 H 2.068 0.001 2 647 398 57 ARG HG3 H 1.455 0.001 2 648 398 57 ARG HD2 H 3.270 0.003 1 649 398 57 ARG HD3 H 3.270 0.003 1 650 398 57 ARG C C 179.268 0.008 1 651 398 57 ARG CA C 60.890 0.100 1 652 398 57 ARG CB C 30.236 0.100 1 653 398 57 ARG CG C 28.542 0.100 1 654 398 57 ARG CD C 43.932 0.100 1 655 398 57 ARG N N 118.284 0.100 1 656 399 58 HIS H H 8.589 0.020 1 657 399 58 HIS HA H 4.320 0.001 1 658 399 58 HIS HB2 H 3.179 0.020 1 659 399 58 HIS HB3 H 3.179 0.020 1 660 399 58 HIS C C 177.716 0.004 1 661 399 58 HIS CA C 59.335 0.100 1 662 399 58 HIS CB C 30.475 0.100 1 663 399 58 HIS N N 118.053 0.100 1 664 400 59 ASN H H 7.942 0.001 1 665 400 59 ASN HA H 4.237 0.020 1 666 400 59 ASN HB2 H 2.694 0.002 2 667 400 59 ASN HB3 H 2.356 0.005 2 668 400 59 ASN HD21 H 7.519 0.012 2 669 400 59 ASN HD22 H 7.690 0.001 2 670 400 59 ASN C C 177.187 0.014 1 671 400 59 ASN CA C 57.995 0.100 1 672 400 59 ASN CB C 40.893 0.100 1 673 400 59 ASN N N 117.586 0.100 1 674 400 59 ASN ND2 N 114.089 0.001 1 675 401 60 LEU H H 7.932 0.009 1 676 401 60 LEU HA H 3.774 0.008 1 677 401 60 LEU HB2 H 1.052 0.003 2 678 401 60 LEU HB3 H -0.229 0.020 2 679 401 60 LEU HG H 0.961 0.001 1 680 401 60 LEU HD1 H -0.563 0.004 2 681 401 60 LEU HD2 H -0.354 0.001 2 682 401 60 LEU C C 176.779 0.100 1 683 401 60 LEU CA C 57.728 0.100 1 684 401 60 LEU CB C 40.896 0.100 1 685 401 60 LEU CG C 25.682 0.100 1 686 401 60 LEU CD1 C 25.682 0.100 1 687 401 60 LEU CD2 C 22.121 0.100 1 688 401 60 LEU N N 119.911 0.100 1 689 402 61 SER H H 7.136 0.009 1 690 402 61 SER HA H 4.464 0.020 1 691 402 61 SER HB2 H 4.023 0.001 1 692 402 61 SER HB3 H 4.023 0.001 1 693 402 61 SER C C 175.363 0.100 1 694 402 61 SER CA C 60.319 0.100 1 695 402 61 SER CB C 64.724 0.100 1 696 402 61 SER N N 109.619 0.100 1 697 403 62 LEU H H 7.454 0.007 1 698 403 62 LEU HA H 4.285 0.020 1 699 403 62 LEU HB2 H 1.508 0.020 2 700 403 62 LEU HB3 H 1.249 0.002 2 701 403 62 LEU HG H 1.362 0.020 1 702 403 62 LEU HD1 H 0.719 0.001 1 703 403 62 LEU HD2 H 0.719 0.001 1 704 403 62 LEU C C 177.566 0.100 1 705 403 62 LEU CA C 56.110 0.100 1 706 403 62 LEU CB C 43.809 0.100 1 707 403 62 LEU CG C 26.653 0.100 1 708 403 62 LEU CD1 C 24.063 0.100 1 709 403 62 LEU N N 121.043 0.100 1 710 404 63 HIS HA H 4.762 0.012 1 711 404 63 HIS HB2 H 3.323 0.001 1 712 404 63 HIS HB3 H 3.323 0.001 1 713 404 63 HIS CB C 30.214 0.100 1 714 405 64 SER HA H 4.437 0.005 1 715 405 64 SER HB2 H 4.002 0.010 1 716 405 64 SER HB3 H 4.002 0.010 1 717 405 64 SER C C 174.325 0.100 1 718 405 64 SER CA C 59.944 0.100 1 719 405 64 SER CB C 63.285 0.105 1 720 406 65 ARG H H 7.695 0.009 1 721 406 65 ARG HA H 3.985 0.020 1 722 406 65 ARG HB2 H 0.983 0.020 2 723 406 65 ARG HB3 H 1.474 0.001 2 724 406 65 ARG HG2 H 1.019 0.001 1 725 406 65 ARG HG3 H 1.019 0.001 1 726 406 65 ARG HD2 H 2.866 0.020 2 727 406 65 ARG HD3 H 2.814 0.001 2 728 406 65 ARG C C 175.091 0.100 1 729 406 65 ARG CA C 57.995 0.100 1 730 406 65 ARG CB C 31.313 0.100 1 731 406 65 ARG CG C 26.653 0.100 1 732 406 65 ARG CD C 44.386 0.100 1 733 406 65 ARG N N 119.643 0.100 1 734 407 66 PHE H H 8.113 0.009 1 735 407 66 PHE HA H 5.638 0.003 1 736 407 66 PHE HB2 H 3.385 0.020 1 737 407 66 PHE HB3 H 3.385 0.020 1 738 407 66 PHE HD1 H 7.320 0.005 1 739 407 66 PHE HD2 H 7.320 0.005 1 740 407 66 PHE HE1 H 7.390 0.020 1 741 407 66 PHE HE2 H 7.390 0.020 1 742 407 66 PHE HZ H 7.264 0.020 1 743 407 66 PHE C C 174.790 0.012 1 744 407 66 PHE CA C 55.663 0.100 1 745 407 66 PHE CB C 42.091 0.100 1 746 407 66 PHE CD1 C 132.087 0.100 1 747 407 66 PHE CE1 C 132.117 0.100 1 748 407 66 PHE CZ C 132.077 0.100 1 749 407 66 PHE N N 117.424 0.100 1 750 408 67 MET H H 9.525 0.020 1 751 408 67 MET HA H 4.962 0.020 1 752 408 67 MET HB2 H 1.951 0.005 1 753 408 67 MET HB3 H 1.951 0.005 1 754 408 67 MET HG2 H 2.335 0.020 1 755 408 67 MET HG3 H 2.335 0.020 1 756 408 67 MET HE H 2.059 0.020 1 757 408 67 MET CA C 54.491 0.100 1 758 408 67 MET CB C 37.012 0.100 1 759 408 67 MET CG C 31.832 0.100 1 760 408 67 MET CE C 17.589 0.100 1 761 408 67 MET N N 120.470 0.100 1 762 409 68 ARG H H 8.207 0.020 1 763 409 68 ARG HA H 4.233 0.006 1 764 409 68 ARG HB2 H 1.050 0.010 1 765 409 68 ARG HB3 H 1.050 0.010 1 766 409 68 ARG HG2 H 0.604 0.020 2 767 409 68 ARG HG3 H 0.340 0.002 2 768 409 68 ARG HD2 H 2.859 0.001 2 769 409 68 ARG HD3 H 2.758 0.001 2 770 409 68 ARG CA C 54.491 0.100 1 771 409 68 ARG CB C 31.509 0.100 1 772 409 68 ARG CG C 26.977 0.100 1 773 409 68 ARG CD C 43.809 0.100 1 774 409 68 ARG N N 124.783 0.100 1 775 410 69 ILE H H 8.898 0.010 1 776 410 69 ILE HA H 4.219 0.004 1 777 410 69 ILE HB H 1.750 0.020 1 778 410 69 ILE HG12 H 1.350 0.020 2 779 410 69 ILE HG13 H 1.097 0.001 2 780 410 69 ILE HG2 H 0.829 0.020 1 781 410 69 ILE HD1 H 0.689 0.002 1 782 410 69 ILE CA C 59.994 0.100 1 783 410 69 ILE CB C 39.601 0.100 1 784 410 69 ILE CG1 C 26.977 0.100 1 785 410 69 ILE CG2 C 17.589 0.100 1 786 410 69 ILE CD1 C 12.734 0.100 1 787 410 69 ILE N N 125.761 0.100 1 788 411 70 GLN H H 8.484 0.006 1 789 411 70 GLN HA H 4.492 0.020 1 790 411 70 GLN HB2 H 2.029 0.020 2 791 411 70 GLN HB3 H 1.888 0.020 2 792 411 70 GLN HG2 H 2.246 0.020 1 793 411 70 GLN HG3 H 2.246 0.020 1 794 411 70 GLN HE21 H 7.488 0.020 2 795 411 70 GLN HE22 H 6.768 0.020 2 796 411 70 GLN C C 175.363 0.100 1 797 411 70 GLN CA C 55.662 0.100 1 798 411 70 GLN CB C 30.834 0.100 1 799 411 70 GLN CG C 34.497 0.100 1 800 411 70 GLN N N 124.638 0.100 1 801 411 70 GLN NE2 N 112.200 0.104 1 802 412 71 ASN H H 8.490 0.020 1 803 412 71 ASN HA H 4.715 0.020 1 804 412 71 ASN HB2 H 2.753 0.020 2 805 412 71 ASN HB3 H 2.653 0.020 2 806 412 71 ASN HD21 H 7.367 0.020 2 807 412 71 ASN HD22 H 6.756 0.020 2 808 412 71 ASN C C 175.040 0.100 1 809 412 71 ASN CA C 53.359 0.100 1 810 412 71 ASN CB C 39.636 0.100 1 811 412 71 ASN N N 121.426 0.100 1 812 412 71 ASN ND2 N 112.438 0.100 1 813 413 72 GLU H H 8.599 0.005 1 814 413 72 GLU HA H 4.312 0.020 1 815 413 72 GLU HB2 H 2.108 0.020 2 816 413 72 GLU HB3 H 1.943 0.020 2 817 413 72 GLU HG2 H 2.258 0.020 1 818 413 72 GLU HG3 H 2.258 0.020 1 819 413 72 GLU C C 176.948 0.002 1 820 413 72 GLU CA C 57.164 0.100 1 821 413 72 GLU CB C 30.355 0.100 1 822 413 72 GLU CG C 36.770 0.100 1 823 413 72 GLU N N 121.627 0.100 1 824 414 73 GLY H H 8.361 0.006 1 825 414 73 GLY HA2 H 4.066 0.020 2 826 414 73 GLY HA3 H 3.907 0.020 2 827 414 73 GLY C C 174.022 0.014 1 828 414 73 GLY CA C 45.346 0.100 1 829 414 73 GLY N N 109.886 0.100 1 830 415 74 ALA H H 8.303 0.020 1 831 415 74 ALA HA H 4.305 0.020 1 832 415 74 ALA HB H 1.372 0.010 1 833 415 74 ALA C C 178.680 0.002 1 834 415 74 ALA CA C 53.090 0.100 1 835 415 74 ALA CB C 19.278 0.120 1 836 415 74 ALA N N 123.964 0.100 1 837 416 75 GLY H H 8.490 0.020 1 838 416 75 GLY HA2 H 4.009 0.020 2 839 416 75 GLY HA3 H 3.885 0.020 2 840 416 75 GLY C C 174.696 0.013 1 841 416 75 GLY CA C 45.989 0.100 1 842 416 75 GLY N N 108.791 0.100 1 843 417 76 LYS H H 8.068 0.020 1 844 417 76 LYS HA H 4.348 0.005 1 845 417 76 LYS HB2 H 1.857 0.001 2 846 417 76 LYS HB3 H 1.764 0.003 2 847 417 76 LYS HG2 H 1.413 0.001 2 848 417 76 LYS HG3 H 1.334 0.002 2 849 417 76 LYS HD2 H 1.641 0.003 1 850 417 76 LYS HD3 H 1.641 0.003 1 851 417 76 LYS HE2 H 2.986 0.001 1 852 417 76 LYS HE3 H 2.986 0.001 1 853 417 76 LYS C C 176.718 0.010 1 854 417 76 LYS CA C 56.258 0.130 1 855 417 76 LYS CB C 33.049 0.100 1 856 417 76 LYS CG C 25.176 0.100 1 857 417 76 LYS CD C 29.381 0.100 1 858 417 76 LYS CE C 42.192 0.100 1 859 417 76 LYS N N 119.953 0.100 1 860 418 77 SER H H 8.139 0.011 1 861 418 77 SER HA H 4.470 0.005 1 862 418 77 SER HB2 H 3.714 0.001 1 863 418 77 SER HB3 H 3.714 0.001 1 864 418 77 SER C C 173.638 0.023 1 865 418 77 SER CA C 58.544 0.066 1 866 418 77 SER CB C 64.604 0.100 1 867 418 77 SER N N 116.367 0.100 1 868 419 78 SER H H 8.096 0.018 1 869 419 78 SER HA H 4.698 0.020 1 870 419 78 SER HB2 H 4.667 0.020 1 871 419 78 SER HB3 H 4.667 0.020 1 872 419 78 SER C C 174.344 0.002 1 873 419 78 SER CA C 58.456 0.100 1 874 419 78 SER CB C 65.442 0.100 1 875 419 78 SER N N 116.861 0.100 1 876 420 79 TRP H H 8.526 0.020 1 877 420 79 TRP HA H 4.731 0.012 1 878 420 79 TRP HB2 H 2.922 0.020 1 879 420 79 TRP HB3 H 2.922 0.020 1 880 420 79 TRP HD1 H 6.975 0.005 1 881 420 79 TRP HE1 H 10.203 0.020 1 882 420 79 TRP HZ2 H 7.426 0.020 1 883 420 79 TRP HH2 H 6.937 0.020 1 884 420 79 TRP C C 175.034 0.100 1 885 420 79 TRP CA C 57.007 0.100 1 886 420 79 TRP CB C 32.803 0.100 1 887 420 79 TRP CD1 C 127.114 0.100 1 888 420 79 TRP CZ2 C 114.755 0.100 1 889 420 79 TRP CH2 C 122.572 0.100 1 890 420 79 TRP N N 121.956 0.100 1 891 420 79 TRP NE1 N 129.841 0.100 1 892 421 80 TRP HA H 5.300 0.010 1 893 421 80 TRP HB2 H 2.960 0.002 1 894 421 80 TRP HB3 H 2.960 0.002 1 895 421 80 TRP HD1 H 6.843 0.020 1 896 421 80 TRP HE1 H 9.862 0.020 1 897 421 80 TRP HE3 H 7.220 0.020 1 898 421 80 TRP HZ2 H 7.330 0.009 1 899 421 80 TRP HZ3 H 7.147 0.020 1 900 421 80 TRP HH2 H 7.021 0.005 1 901 421 80 TRP CA C 57.081 0.100 1 902 421 80 TRP CB C 31.509 0.100 1 903 421 80 TRP CD1 C 125.560 0.100 1 904 421 80 TRP CE3 C 120.138 0.100 1 905 421 80 TRP CZ2 C 114.122 0.100 1 906 421 80 TRP CZ3 C 122.406 0.100 1 907 421 80 TRP CH2 C 124.384 0.100 1 908 421 80 TRP NE1 N 127.353 0.100 1 909 422 81 VAL H H 8.947 0.006 1 910 422 81 VAL HA H 5.206 0.007 1 911 422 81 VAL HB H 2.295 0.005 1 912 422 81 VAL HG1 H 0.989 0.020 2 913 422 81 VAL HG2 H 0.839 0.020 2 914 422 81 VAL C C 176.095 0.100 1 915 422 81 VAL CA C 59.302 0.100 1 916 422 81 VAL CB C 37.335 0.100 1 917 422 81 VAL CG1 C 22.675 0.100 1 918 422 81 VAL CG2 C 20.060 0.100 1 919 422 81 VAL N N 112.446 0.100 1 920 423 82 ILE H H 8.792 0.005 1 921 423 82 ILE HA H 4.552 0.005 1 922 423 82 ILE HB H 1.854 0.001 1 923 423 82 ILE HG12 H 1.796 0.001 2 924 423 82 ILE HG13 H 1.313 0.002 2 925 423 82 ILE HG2 H 0.888 0.006 1 926 423 82 ILE HD1 H 1.012 0.002 1 927 423 82 ILE C C 175.733 0.315 1 928 423 82 ILE CA C 61.023 0.100 1 929 423 82 ILE CB C 38.977 0.100 1 930 423 82 ILE CG1 C 29.243 0.100 1 931 423 82 ILE CG2 C 17.589 0.100 1 932 423 82 ILE CD1 C 13.057 0.100 1 933 423 82 ILE N N 121.997 0.097 1 934 424 83 ASN H H 8.744 0.011 1 935 424 83 ASN HA H 4.761 0.008 1 936 424 83 ASN HB2 H 3.063 0.002 2 937 424 83 ASN HB3 H 2.361 0.002 2 938 424 83 ASN HD21 H 7.679 0.020 2 939 424 83 ASN HD22 H 7.087 0.007 2 940 424 83 ASN C C 174.915 0.100 1 941 424 83 ASN CA C 50.931 0.100 1 942 424 83 ASN CB C 39.277 0.100 1 943 424 83 ASN N N 126.653 0.100 1 944 424 83 ASN ND2 N 111.687 0.001 1 945 425 84 PRO HA H 4.363 0.004 1 946 425 84 PRO HB2 H 2.304 0.020 2 947 425 84 PRO HB3 H 2.012 0.002 2 948 425 84 PRO HG2 H 2.009 0.002 1 949 425 84 PRO HG3 H 2.009 0.002 1 950 425 84 PRO HD2 H 3.981 0.006 2 951 425 84 PRO HD3 H 4.121 0.004 2 952 425 84 PRO C C 176.912 0.100 1 953 425 84 PRO CA C 64.066 0.100 1 954 425 84 PRO CB C 32.750 0.100 1 955 425 84 PRO CG C 27.300 0.100 1 956 425 84 PRO CD C 51.578 0.100 1 957 426 85 ASP H H 7.864 0.007 1 958 426 85 ASP HA H 4.623 0.020 1 959 426 85 ASP HB2 H 2.747 0.020 2 960 426 85 ASP HB3 H 2.480 0.020 2 961 426 85 ASP C C 175.814 0.009 1 962 426 85 ASP CA C 54.511 0.100 1 963 426 85 ASP CB C 41.552 0.100 1 964 426 85 ASP N N 118.148 0.100 1 965 427 86 ALA H H 7.550 0.012 1 966 427 86 ALA HA H 4.239 0.020 1 967 427 86 ALA HB H 1.360 0.020 1 968 427 86 ALA C C 177.400 0.056 1 969 427 86 ALA CA C 52.581 0.100 1 970 427 86 ALA CB C 19.398 0.100 1 971 427 86 ALA N N 123.416 0.100 1 972 428 87 LYS H H 8.124 0.006 1 973 428 87 LYS HA H 4.580 0.001 1 974 428 87 LYS HB2 H 1.823 0.001 2 975 428 87 LYS HB3 H 1.710 0.005 2 976 428 87 LYS HG2 H 1.474 0.006 2 977 428 87 LYS HG3 H 1.427 0.001 2 978 428 87 LYS HD2 H 1.704 0.005 1 979 428 87 LYS HD3 H 1.704 0.005 1 980 428 87 LYS HE2 H 3.003 0.002 1 981 428 87 LYS HE3 H 3.003 0.002 1 982 428 87 LYS C C 174.607 0.100 1 983 428 87 LYS CA C 54.491 0.100 1 984 428 87 LYS CB C 32.803 0.100 1 985 428 87 LYS CG C 24.711 0.100 1 986 428 87 LYS CD C 29.890 0.100 1 987 428 87 LYS CE C 42.191 0.100 1 988 428 87 LYS N N 121.997 0.100 1 989 429 88 PRO HA H 4.426 0.005 1 990 429 88 PRO HB2 H 2.295 0.002 2 991 429 88 PRO HB3 H 1.956 0.002 2 992 429 88 PRO HG2 H 2.024 0.001 1 993 429 88 PRO HG3 H 2.024 0.001 1 994 429 88 PRO HD2 H 3.784 0.002 2 995 429 88 PRO HD3 H 3.653 0.020 2 996 429 88 PRO C C 177.695 0.100 1 997 429 88 PRO CA C 63.719 0.026 1 998 429 88 PRO CB C 32.391 0.100 1 999 429 88 PRO CG C 27.790 0.100 1 1000 429 88 PRO CD C 51.254 0.100 1 1001 430 89 GLY H H 8.477 0.020 1 1002 430 89 GLY HA2 H 3.962 0.020 1 1003 430 89 GLY HA3 H 3.962 0.020 1 1004 430 89 GLY C C 174.142 0.004 1 1005 430 89 GLY CA C 45.426 0.100 1 1006 430 89 GLY N N 109.390 0.100 1 1007 431 90 ARG H H 8.153 0.020 1 1008 431 90 ARG HA H 4.343 0.020 1 1009 431 90 ARG HB2 H 1.828 0.020 1 1010 431 90 ARG HB3 H 1.828 0.020 1 1011 431 90 ARG HG2 H 1.636 0.020 1 1012 431 90 ARG HG3 H 1.636 0.020 1 1013 431 90 ARG HD2 H 3.215 0.020 1 1014 431 90 ARG HD3 H 3.215 0.020 1 1015 431 90 ARG C C 176.022 0.022 1 1016 431 90 ARG CA C 56.065 0.100 1 1017 431 90 ARG CB C 31.193 0.120 1 1018 431 90 ARG CG C 27.719 0.055 1 1019 431 90 ARG CD C 43.856 0.107 1 1020 431 90 ARG N N 120.364 0.100 1 1021 432 91 ASN H H 8.574 0.020 1 1022 432 91 ASN HA H 4.976 0.020 1 1023 432 91 ASN HB2 H 2.843 0.003 2 1024 432 91 ASN HB3 H 2.719 0.001 2 1025 432 91 ASN CA C 51.578 0.100 1 1026 432 91 ASN CB C 39.277 0.100 1 1027 432 91 ASN N N 121.167 0.100 1 1028 433 92 PRO HA H 4.426 0.004 1 1029 433 92 PRO HB2 H 2.296 0.002 2 1030 433 92 PRO HB3 H 1.954 0.002 2 1031 433 92 PRO HG2 H 2.023 0.020 1 1032 433 92 PRO HG3 H 2.023 0.020 1 1033 433 92 PRO HD2 H 3.780 0.003 1 1034 433 92 PRO HD3 H 3.780 0.003 1 1035 433 92 PRO C C 177.031 0.100 1 1036 433 92 PRO CA C 63.692 0.100 1 1037 433 92 PRO CB C 32.391 0.100 1 1038 433 92 PRO CG C 27.790 0.100 1 1039 433 92 PRO CD C 50.931 0.100 1 1040 434 93 ARG H H 8.327 0.020 1 1041 434 93 ARG HA H 4.339 0.001 1 1042 434 93 ARG HB2 H 1.814 0.020 1 1043 434 93 ARG HB3 H 1.814 0.020 1 1044 434 93 ARG HG2 H 1.635 0.001 1 1045 434 93 ARG HG3 H 1.635 0.001 1 1046 434 93 ARG HD2 H 3.215 0.002 1 1047 434 93 ARG HD3 H 3.215 0.002 1 1048 434 93 ARG C C 176.513 0.007 1 1049 434 93 ARG CA C 56.562 0.068 1 1050 434 93 ARG CB C 30.954 0.100 1 1051 434 93 ARG CG C 27.790 0.100 1 1052 434 93 ARG CD C 44.159 0.100 1 1053 434 93 ARG N N 120.613 0.100 1 1054 435 94 ARG H H 8.243 0.020 1 1055 435 94 ARG HA H 4.344 0.004 1 1056 435 94 ARG HB2 H 1.858 0.002 2 1057 435 94 ARG HB3 H 1.773 0.003 2 1058 435 94 ARG HG2 H 1.640 0.005 1 1059 435 94 ARG HG3 H 1.640 0.005 1 1060 435 94 ARG HD2 H 3.212 0.003 1 1061 435 94 ARG HD3 H 3.212 0.003 1 1062 435 94 ARG C C 176.266 0.001 1 1063 435 94 ARG CA C 56.351 0.103 1 1064 435 94 ARG CB C 31.119 0.058 1 1065 435 94 ARG CG C 27.676 0.100 1 1066 435 94 ARG CD C 44.083 0.107 1 1067 435 94 ARG N N 122.190 0.100 1 1068 436 95 GLN H H 8.431 0.006 1 1069 436 95 GLN HA H 4.342 0.020 1 1070 436 95 GLN HB2 H 2.118 0.020 2 1071 436 95 GLN HB3 H 2.006 0.020 2 1072 436 95 GLN HG2 H 2.386 0.001 1 1073 436 95 GLN HG3 H 2.386 0.001 1 1074 436 95 GLN C C 176.022 0.022 1 1075 436 95 GLN CA C 56.039 0.100 1 1076 436 95 GLN CB C 29.816 0.100 1 1077 436 95 GLN CG C 34.497 0.100 1 1078 436 95 GLN N N 122.119 0.100 1 1079 437 96 ARG H H 8.480 0.020 1 1080 437 96 ARG HA H 4.338 0.020 1 1081 437 96 ARG HB2 H 1.859 0.020 2 1082 437 96 ARG HB3 H 1.777 0.020 2 1083 437 96 ARG HG2 H 1.636 0.020 1 1084 437 96 ARG HG3 H 1.636 0.020 1 1085 437 96 ARG HD2 H 3.214 0.020 1 1086 437 96 ARG HD3 H 3.214 0.020 1 1087 437 96 ARG C C 176.402 0.001 1 1088 437 96 ARG CA C 56.629 0.100 1 1089 437 96 ARG CB C 31.074 0.100 1 1090 437 96 ARG CG C 27.676 0.100 1 1091 437 96 ARG CD C 44.159 0.100 1 1092 437 96 ARG N N 122.860 0.100 1 1093 438 97 SER H H 8.390 0.020 1 1094 438 97 SER HA H 4.467 0.004 1 1095 438 97 SER HB2 H 3.893 0.001 1 1096 438 97 SER HB3 H 3.893 0.001 1 1097 438 97 SER C C 174.389 0.013 1 1098 438 97 SER CA C 58.522 0.063 1 1099 438 97 SER CB C 64.364 0.100 1 1100 438 97 SER N N 117.240 0.100 1 1101 439 98 ALA H H 8.446 0.020 1 1102 439 98 ALA HA H 4.399 0.020 1 1103 439 98 ALA HB H 1.438 0.001 1 1104 439 98 ALA C C 177.887 0.005 1 1105 439 98 ALA CA C 52.984 0.100 1 1106 439 98 ALA CB C 19.757 0.100 1 1107 439 98 ALA N N 126.108 0.100 1 1108 440 99 THR H H 8.090 0.020 1 1109 440 99 THR HA H 4.339 0.020 1 1110 440 99 THR HB H 4.231 0.020 1 1111 440 99 THR HG2 H 1.214 0.020 1 1112 440 99 THR C C 174.432 0.005 1 1113 440 99 THR CA C 61.989 0.100 1 1114 440 99 THR CB C 70.292 0.100 1 1115 440 99 THR CG2 C 21.993 0.100 1 1116 440 99 THR N N 112.958 0.100 1 1117 441 100 LEU H H 8.232 0.006 1 1118 441 100 LEU HA H 4.397 0.020 1 1119 441 100 LEU HB2 H 1.643 0.005 1 1120 441 100 LEU HB3 H 1.643 0.005 1 1121 441 100 LEU HG H 1.636 0.020 1 1122 441 100 LEU HD1 H 0.936 0.020 2 1123 441 100 LEU HD2 H 0.874 0.020 2 1124 441 100 LEU C C 176.342 0.010 1 1125 441 100 LEU CA C 55.503 0.100 1 1126 441 100 LEU CB C 42.630 0.100 1 1127 441 100 LEU CG C 27.563 0.100 1 1128 441 100 LEU CD1 C 25.289 0.100 1 1129 441 100 LEU CD2 C 24.039 0.100 1 1130 441 100 LEU N N 124.863 0.100 1 1131 442 101 GLU H H 7.891 0.020 1 1132 442 101 GLU HA H 4.132 0.020 1 1133 442 101 GLU HB2 H 2.054 0.001 2 1134 442 101 GLU HB3 H 1.891 0.003 2 1135 442 101 GLU HG2 H 2.201 0.020 1 1136 442 101 GLU HG3 H 2.201 0.020 1 1137 442 101 GLU C C 181.073 0.100 1 1138 442 101 GLU CA C 58.052 0.100 1 1139 442 101 GLU CB C 31.509 0.100 1 1140 442 101 GLU CG C 37.012 0.100 1 1141 442 101 GLU N N 126.710 0.100 1 stop_ save_