data_25499 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the RRM3 domain of Hrb1 ; _BMRB_accession_number 25499 _BMRB_flat_file_name bmr25499.str _Entry_type original _Submission_date 2015-02-23 _Accession_date 2015-02-23 _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 Martinez-Lumbreras Santiago . . 2 Seraphin Bertrand . . 3 Perez-Canadillas 'Jose Manuel' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 559 "13C chemical shifts" 288 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-01-20 original BMRB 'update entry citation' 2015-11-30 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25496 'RRM3 domain of Gbp2' 25497 'RRM1 domain of Hrb1' 25498 'RRM2 domain of Hrb1' stop_ _Original_release_date 2015-11-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Gbp2 interacts with THO/TREX through a novel type of RRM domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26602689 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martinez-Lumbreras Santiago . . 2 Taverniti Valerio . . 3 Zorrilla Silvia . . 4 Seraphin Bertrand . . 5 Perez-Canadillas 'Jose Manuel' . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 44 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 437 _Page_last 448 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RRM3 domain of Hrb1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RRM3 $RRM3 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_RRM3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RRM3 _Molecular_mass 11106.278 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GSVNEEARKFTENVVGGGER NRLIYCSNLPFSTAKSDLYD LFETIGKVNNAELRYDSKGA PTGIAVVEYDNVDDADVCIE RLNNYNYGGCDLDISYAKRL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 355 GLY 2 356 SER 3 357 VAL 4 358 ASN 5 359 GLU 6 360 GLU 7 361 ALA 8 362 ARG 9 363 LYS 10 364 PHE 11 365 THR 12 366 GLU 13 367 ASN 14 368 VAL 15 369 VAL 16 370 GLY 17 371 GLY 18 372 GLY 19 373 GLU 20 374 ARG 21 375 ASN 22 376 ARG 23 377 LEU 24 378 ILE 25 379 TYR 26 380 CYS 27 381 SER 28 382 ASN 29 383 LEU 30 384 PRO 31 385 PHE 32 386 SER 33 387 THR 34 388 ALA 35 389 LYS 36 390 SER 37 391 ASP 38 392 LEU 39 393 TYR 40 394 ASP 41 395 LEU 42 396 PHE 43 397 GLU 44 398 THR 45 399 ILE 46 400 GLY 47 401 LYS 48 402 VAL 49 403 ASN 50 404 ASN 51 405 ALA 52 406 GLU 53 407 LEU 54 408 ARG 55 409 TYR 56 410 ASP 57 411 SER 58 412 LYS 59 413 GLY 60 414 ALA 61 415 PRO 62 416 THR 63 417 GLY 64 418 ILE 65 419 ALA 66 420 VAL 67 421 VAL 68 422 GLU 69 423 TYR 70 424 ASP 71 425 ASN 72 426 VAL 73 427 ASP 74 428 ASP 75 429 ALA 76 430 ASP 77 431 VAL 78 432 CYS 79 433 ILE 80 434 GLU 81 435 ARG 82 436 LEU 83 437 ASN 84 438 ASN 85 439 TYR 86 440 ASN 87 441 TYR 88 442 GLY 89 443 GLY 90 444 CYS 91 445 ASP 92 446 LEU 93 447 ASP 94 448 ILE 95 449 SER 96 450 TYR 97 451 ALA 98 452 LYS 99 453 ARG 100 454 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $RRM3 "Baker's Yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae HRB1 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 $RRM3 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RRM3 0.8 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' DTT 0.1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RRM3 0.8 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' DTT 0.1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CcpNMR_Analysis _Saveframe_category software _Name CcpNMR_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H TOCSY' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RRM3 _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 1 355 1 GLY HA2 H 4.044 0.000 2 2 355 1 GLY CA C 43.444 0.000 1 3 356 2 SER HA H 4.770 0.005 1 4 356 2 SER HB2 H 4.106 0.007 2 5 356 2 SER CA C 58.321 0.000 1 6 356 2 SER CB C 64.174 0.000 1 7 357 3 VAL H H 8.587 0.003 1 8 357 3 VAL HA H 4.324 0.004 1 9 357 3 VAL HB H 2.297 0.002 1 10 357 3 VAL HG1 H 1.176 0.002 2 11 357 3 VAL HG2 H 1.154 0.001 2 12 357 3 VAL CA C 62.889 0.000 1 13 357 3 VAL CB C 32.930 0.000 1 14 357 3 VAL CG1 C 21.316 0.000 2 15 357 3 VAL CG2 C 20.737 0.000 2 16 357 3 VAL N N 121.456 0.000 1 17 358 4 ASN H H 8.707 0.002 1 18 358 4 ASN HA H 4.936 0.006 1 19 358 4 ASN HB2 H 3.135 0.003 2 20 358 4 ASN HD21 H 7.263 0.001 1 21 358 4 ASN HD22 H 7.887 0.003 1 22 358 4 ASN CA C 53.511 0.000 1 23 358 4 ASN CB C 38.739 0.000 1 24 358 4 ASN N N 121.843 0.000 1 25 358 4 ASN ND2 N 112.804 0.011 1 26 359 5 GLU H H 8.757 0.004 1 27 359 5 GLU HA H 4.379 0.004 1 28 359 5 GLU HB2 H 2.295 0.003 2 29 359 5 GLU HG2 H 2.544 0.002 2 30 359 5 GLU CA C 58.808 0.000 1 31 359 5 GLU CB C 30.002 0.000 1 32 359 5 GLU CG C 36.334 0.000 1 33 359 5 GLU N N 122.284 0.000 1 34 360 6 GLU H H 8.696 0.001 1 35 360 6 GLU HA H 4.317 0.002 1 36 360 6 GLU HB2 H 2.295 0.002 2 37 360 6 GLU HG2 H 2.565 0.005 2 38 360 6 GLU CA C 59.132 0.000 1 39 360 6 GLU CB C 29.336 0.000 1 40 360 6 GLU CG C 36.712 0.000 1 41 360 6 GLU N N 119.821 0.000 1 42 361 7 ALA H H 8.283 0.002 1 43 361 7 ALA HA H 4.410 0.004 1 44 361 7 ALA HB H 1.757 0.001 1 45 361 7 ALA CA C 54.949 0.000 1 46 361 7 ALA CB C 18.709 0.000 1 47 361 7 ALA N N 123.471 0.000 1 48 362 8 ARG H H 8.237 0.002 1 49 362 8 ARG HA H 4.376 0.002 1 50 362 8 ARG HB2 H 2.175 0.003 2 51 362 8 ARG HB3 H 2.138 0.002 2 52 362 8 ARG HG2 H 1.987 0.004 2 53 362 8 ARG HG3 H 1.847 0.004 2 54 362 8 ARG HD2 H 3.487 0.002 2 55 362 8 ARG HD3 H 3.421 0.002 2 56 362 8 ARG HE H 7.786 0.003 1 57 362 8 ARG CA C 58.806 0.000 1 58 362 8 ARG CB C 30.231 0.002 1 59 362 8 ARG CG C 27.406 0.005 1 60 362 8 ARG CD C 43.385 0.007 1 61 362 8 ARG N N 119.019 0.000 1 62 362 8 ARG NE N 84.136 0.000 1 63 363 9 LYS H H 8.429 0.002 1 64 363 9 LYS HA H 4.317 0.003 1 65 363 9 LYS HB2 H 2.137 0.004 2 66 363 9 LYS HG2 H 1.834 0.005 2 67 363 9 LYS HG3 H 1.720 0.003 2 68 363 9 LYS HD2 H 1.934 0.003 2 69 363 9 LYS HE2 H 3.216 0.004 2 70 363 9 LYS CA C 58.595 0.000 1 71 363 9 LYS CB C 32.524 0.000 1 72 363 9 LYS CG C 25.467 0.017 1 73 363 9 LYS CD C 29.217 0.000 1 74 363 9 LYS CE C 41.995 0.000 1 75 363 9 LYS N N 118.549 0.000 1 76 364 10 PHE H H 8.247 0.002 1 77 364 10 PHE HA H 4.598 0.003 1 78 364 10 PHE HB2 H 3.625 0.002 2 79 364 10 PHE HB3 H 3.207 0.003 2 80 364 10 PHE HD1 H 7.315 0.003 3 81 364 10 PHE HD2 H 7.315 0.003 3 82 364 10 PHE HE1 H 7.455 0.003 3 83 364 10 PHE HE2 H 7.455 0.003 3 84 364 10 PHE HZ H 7.207 0.004 1 85 364 10 PHE CA C 61.240 0.000 1 86 364 10 PHE CB C 40.211 0.003 1 87 364 10 PHE N N 119.023 0.000 1 88 365 11 THR H H 7.761 0.003 1 89 365 11 THR HA H 4.370 0.005 1 90 365 11 THR HB H 4.472 0.005 1 91 365 11 THR HG2 H 1.377 0.003 1 92 365 11 THR CA C 61.774 0.000 1 93 365 11 THR CB C 70.321 0.000 1 94 365 11 THR CG2 C 22.719 0.000 1 95 365 11 THR N N 102.103 0.000 1 96 366 12 GLU H H 7.940 0.002 1 97 366 12 GLU HA H 4.474 0.004 1 98 366 12 GLU HB2 H 2.328 0.002 2 99 366 12 GLU HB3 H 2.257 0.002 2 100 366 12 GLU HG2 H 2.523 0.003 2 101 366 12 GLU CA C 57.183 0.000 1 102 366 12 GLU CB C 30.673 0.007 1 103 366 12 GLU CG C 36.567 0.000 1 104 366 12 GLU N N 124.823 0.000 1 105 367 13 ASN H H 9.339 0.003 1 106 367 13 ASN HA H 4.611 0.004 1 107 367 13 ASN HB2 H 3.286 0.003 2 108 367 13 ASN HB3 H 3.179 0.003 2 109 367 13 ASN HD21 H 7.132 0.002 1 110 367 13 ASN HD22 H 7.890 0.001 1 111 367 13 ASN CA C 54.081 0.000 1 112 367 13 ASN CB C 37.313 0.007 1 113 367 13 ASN N N 118.676 0.000 1 114 367 13 ASN ND2 N 113.689 0.005 1 115 368 14 VAL H H 7.280 0.003 1 116 368 14 VAL HA H 5.119 0.007 1 117 368 14 VAL HB H 1.895 0.003 1 118 368 14 VAL HG1 H 1.069 0.003 2 119 368 14 VAL HG2 H 0.956 0.003 2 120 368 14 VAL CA C 60.907 0.000 1 121 368 14 VAL CB C 33.792 0.000 1 122 368 14 VAL CG1 C 23.277 0.000 2 123 368 14 VAL CG2 C 22.513 0.000 2 124 368 14 VAL N N 115.643 0.000 1 125 369 15 VAL H H 8.851 0.002 1 126 369 15 VAL HA H 4.349 0.003 1 127 369 15 VAL HB H 2.313 0.003 1 128 369 15 VAL HG1 H 1.062 0.003 2 129 369 15 VAL HG2 H 1.030 0.002 2 130 369 15 VAL CA C 59.471 0.000 1 131 369 15 VAL CB C 35.682 0.000 1 132 369 15 VAL CG1 C 21.919 0.000 2 133 369 15 VAL CG2 C 18.748 0.000 2 134 369 15 VAL N N 121.508 0.000 1 135 370 16 GLY H H 7.294 0.003 1 136 370 16 GLY HA2 H 4.297 0.006 2 137 370 16 GLY HA3 H 3.273 0.004 2 138 370 16 GLY CA C 43.535 0.008 1 139 370 16 GLY N N 105.193 0.000 1 140 371 17 GLY H H 8.546 0.002 1 141 371 17 GLY HA2 H 4.260 0.002 2 142 371 17 GLY HA3 H 4.091 0.004 2 143 371 17 GLY CA C 47.011 0.009 1 144 371 17 GLY N N 104.801 0.000 1 145 372 18 GLY H H 9.196 0.002 1 146 372 18 GLY HA2 H 4.321 0.002 2 147 372 18 GLY HA3 H 3.498 0.003 2 148 372 18 GLY CA C 44.434 0.006 1 149 372 18 GLY N N 106.869 0.000 1 150 373 19 GLU H H 8.384 0.003 1 151 373 19 GLU HA H 4.499 0.003 1 152 373 19 GLU HB2 H 2.226 0.002 2 153 373 19 GLU HB3 H 2.073 0.003 2 154 373 19 GLU HG2 H 2.496 0.004 2 155 373 19 GLU CA C 55.544 0.000 1 156 373 19 GLU CB C 31.018 0.011 1 157 373 19 GLU CG C 36.674 0.000 1 158 373 19 GLU N N 117.923 0.000 1 159 374 20 ARG H H 8.280 0.002 1 160 374 20 ARG HA H 1.388 0.004 1 161 374 20 ARG HB2 H 1.569 0.002 2 162 374 20 ARG HB3 H 1.469 0.002 2 163 374 20 ARG HG2 H 1.227 0.004 2 164 374 20 ARG HD2 H 3.329 0.004 2 165 374 20 ARG HD3 H 3.245 0.003 2 166 374 20 ARG HE H 9.278 0.003 1 167 374 20 ARG HH11 H 7.023 0.000 1 168 374 20 ARG HH12 H 6.913 0.004 1 169 374 20 ARG CA C 57.419 0.000 1 170 374 20 ARG CB C 30.109 0.001 1 171 374 20 ARG CG C 27.696 0.000 1 172 374 20 ARG CD C 43.764 0.013 1 173 374 20 ARG N N 120.877 0.000 1 174 374 20 ARG NE N 87.892 0.000 1 175 374 20 ARG NH1 N 69.345 0.000 1 176 375 21 ASN H H 7.401 0.002 1 177 375 21 ASN HA H 4.773 0.004 1 178 375 21 ASN HB2 H 3.543 0.003 2 179 375 21 ASN HB3 H 3.060 0.003 2 180 375 21 ASN HD21 H 7.858 0.001 1 181 375 21 ASN HD22 H 8.236 0.002 1 182 375 21 ASN CA C 53.010 0.000 1 183 375 21 ASN CB C 39.421 0.010 1 184 375 21 ASN N N 122.499 0.000 1 185 375 21 ASN ND2 N 115.266 0.003 1 186 376 22 ARG H H 8.345 0.001 1 187 376 22 ARG HA H 4.468 0.004 1 188 376 22 ARG HB2 H 2.386 0.004 2 189 376 22 ARG HB3 H 2.004 0.003 2 190 376 22 ARG HG2 H 1.744 0.004 2 191 376 22 ARG HD2 H 3.627 0.003 2 192 376 22 ARG HD3 H 3.395 0.004 2 193 376 22 ARG HE H 7.502 0.004 1 194 376 22 ARG CA C 58.536 0.000 1 195 376 22 ARG CB C 29.990 0.002 1 196 376 22 ARG CG C 27.594 0.000 1 197 376 22 ARG CD C 43.573 0.009 1 198 376 22 ARG N N 115.074 0.000 1 199 376 22 ARG NE N 85.196 0.000 1 200 377 23 LEU H H 7.998 0.003 1 201 377 23 LEU HA H 5.292 0.003 1 202 377 23 LEU HB2 H 2.192 0.003 2 203 377 23 LEU HB3 H 1.747 0.003 2 204 377 23 LEU HG H 1.595 0.004 1 205 377 23 LEU HD1 H 1.066 0.002 2 206 377 23 LEU HD2 H 0.904 0.003 2 207 377 23 LEU CA C 54.172 0.000 1 208 377 23 LEU CB C 44.954 0.002 1 209 377 23 LEU CG C 27.263 0.000 1 210 377 23 LEU CD1 C 24.849 0.000 2 211 377 23 LEU CD2 C 25.603 0.000 2 212 377 23 LEU N N 121.453 0.000 1 213 378 24 ILE H H 9.929 0.002 1 214 378 24 ILE HA H 5.020 0.006 1 215 378 24 ILE HB H 2.405 0.002 1 216 378 24 ILE HG12 H 2.088 0.002 2 217 378 24 ILE HG13 H 1.920 0.003 2 218 378 24 ILE HG2 H 1.182 0.003 1 219 378 24 ILE HD1 H 0.999 0.003 1 220 378 24 ILE CA C 57.333 0.000 1 221 378 24 ILE CB C 39.954 0.000 1 222 378 24 ILE CG1 C 26.460 0.004 1 223 378 24 ILE CG2 C 19.111 0.000 1 224 378 24 ILE CD1 C 11.273 0.000 1 225 378 24 ILE N N 125.635 0.000 1 226 379 25 TYR H H 9.537 0.003 1 227 379 25 TYR HA H 4.888 0.004 1 228 379 25 TYR HB2 H 3.158 0.009 2 229 379 25 TYR HB3 H 2.499 0.002 2 230 379 25 TYR HD1 H 7.013 0.004 3 231 379 25 TYR HD2 H 7.013 0.004 3 232 379 25 TYR HE1 H 6.803 0.003 3 233 379 25 TYR HE2 H 6.803 0.003 3 234 379 25 TYR CA C 57.413 0.000 1 235 379 25 TYR CB C 41.857 0.006 1 236 379 25 TYR N N 127.743 0.000 1 237 380 26 CYS H H 8.654 0.003 1 238 380 26 CYS HA H 5.714 0.004 1 239 380 26 CYS HB2 H 2.803 0.004 2 240 380 26 CYS HB3 H 2.446 0.004 2 241 380 26 CYS HG H 1.541 0.003 1 242 380 26 CYS CA C 55.928 0.000 1 243 380 26 CYS CB C 29.477 0.016 1 244 380 26 CYS N N 127.976 0.000 1 245 381 27 SER H H 9.601 0.004 1 246 381 27 SER HA H 5.571 0.003 1 247 381 27 SER HB2 H 4.247 0.005 2 248 381 27 SER HB3 H 3.985 0.004 2 249 381 27 SER CA C 56.598 0.014 1 250 381 27 SER CB C 66.425 0.001 1 251 381 27 SER N N 121.855 0.000 1 252 382 28 ASN H H 8.339 0.004 1 253 382 28 ASN HA H 4.615 0.006 1 254 382 28 ASN HB2 H 3.910 0.003 2 255 382 28 ASN HB3 H 2.978 0.005 2 256 382 28 ASN HD21 H 7.020 0.004 1 257 382 28 ASN HD22 H 8.241 0.002 1 258 382 28 ASN CA C 54.087 0.000 1 259 382 28 ASN CB C 38.633 0.007 1 260 382 28 ASN N N 115.900 0.000 1 261 382 28 ASN ND2 N 111.504 0.001 1 262 383 29 LEU H H 9.077 0.002 1 263 383 29 LEU HA H 4.459 0.002 1 264 383 29 LEU HB2 H 1.572 0.005 2 265 383 29 LEU HG H 1.757 0.004 1 266 383 29 LEU HD1 H 1.068 0.003 2 267 383 29 LEU HD2 H 0.862 0.004 2 268 383 29 LEU CA C 54.323 0.000 1 269 383 29 LEU CB C 41.547 0.000 1 270 383 29 LEU CG C 27.650 0.000 1 271 383 29 LEU CD1 C 25.109 0.000 2 272 383 29 LEU CD2 C 28.175 0.000 2 273 383 29 LEU N N 115.831 0.000 1 274 384 30 PRO HA H 4.724 0.003 1 275 384 30 PRO HB2 H 2.689 0.003 2 276 384 30 PRO HB3 H 2.064 0.003 2 277 384 30 PRO HG2 H 2.471 0.002 2 278 384 30 PRO HG3 H 2.217 0.003 2 279 384 30 PRO HD2 H 4.155 0.004 2 280 384 30 PRO HD3 H 3.928 0.005 2 281 384 30 PRO CA C 63.157 0.000 1 282 384 30 PRO CB C 31.730 0.000 1 283 384 30 PRO CG C 28.482 0.001 1 284 384 30 PRO CD C 50.442 0.004 1 285 385 31 PHE H H 9.537 0.003 1 286 385 31 PHE HA H 4.720 0.004 1 287 385 31 PHE HB2 H 3.469 0.003 2 288 385 31 PHE HB3 H 3.437 0.001 2 289 385 31 PHE HD1 H 7.459 0.003 3 290 385 31 PHE HD2 H 7.459 0.003 3 291 385 31 PHE HE1 H 7.521 0.001 3 292 385 31 PHE HE2 H 7.521 0.001 3 293 385 31 PHE HZ H 7.513 0.001 1 294 385 31 PHE CA C 59.433 0.000 1 295 385 31 PHE CB C 37.446 0.000 1 296 385 31 PHE N N 126.487 0.000 1 297 386 32 SER H H 8.155 0.003 1 298 386 32 SER HA H 4.583 0.006 1 299 386 32 SER HB2 H 4.383 0.005 2 300 386 32 SER HB3 H 4.049 0.005 2 301 386 32 SER CA C 58.530 0.000 1 302 386 32 SER CB C 63.170 0.007 1 303 386 32 SER N N 111.529 0.000 1 304 387 33 THR H H 7.749 0.006 1 305 387 33 THR HA H 4.219 0.003 1 306 387 33 THR HB H 4.241 0.005 1 307 387 33 THR HG1 H 6.179 0.005 1 308 387 33 THR HG2 H 1.657 0.002 1 309 387 33 THR CA C 65.865 0.000 1 310 387 33 THR CB C 69.511 0.000 1 311 387 33 THR CG2 C 22.461 0.000 1 312 387 33 THR N N 120.174 0.000 1 313 388 34 ALA H H 9.811 0.001 1 314 388 34 ALA HA H 5.097 0.006 1 315 388 34 ALA HB H 1.849 0.003 1 316 388 34 ALA CA C 50.214 0.000 1 317 388 34 ALA CB C 21.623 0.000 1 318 388 34 ALA N N 131.537 0.000 1 319 389 35 LYS H H 9.292 0.002 1 320 389 35 LYS HA H 4.046 0.003 1 321 389 35 LYS HB2 H 2.356 0.005 2 322 389 35 LYS HB3 H 2.167 0.005 2 323 389 35 LYS HG2 H 1.897 0.006 2 324 389 35 LYS HG3 H 1.718 0.004 2 325 389 35 LYS HD2 H 2.264 0.005 2 326 389 35 LYS HD3 H 2.055 0.012 2 327 389 35 LYS HE2 H 3.639 0.004 2 328 389 35 LYS HE3 H 3.373 0.005 2 329 389 35 LYS CA C 61.414 0.000 1 330 389 35 LYS CB C 32.481 0.005 1 331 389 35 LYS CG C 25.793 0.016 1 332 389 35 LYS CD C 30.198 0.000 1 333 389 35 LYS CE C 42.497 0.008 1 334 389 35 LYS N N 123.180 0.000 1 335 390 36 SER H H 8.803 0.002 1 336 390 36 SER HA H 4.451 0.003 1 337 390 36 SER HB2 H 4.248 0.004 2 338 390 36 SER HB3 H 4.087 0.005 2 339 390 36 SER CA C 61.697 0.000 1 340 390 36 SER CB C 61.736 0.005 1 341 390 36 SER N N 111.090 0.000 1 342 391 37 ASP H H 7.309 0.003 1 343 391 37 ASP HA H 4.720 0.005 1 344 391 37 ASP HB2 H 3.523 0.002 2 345 391 37 ASP HB3 H 3.290 0.004 2 346 391 37 ASP CA C 57.324 0.000 1 347 391 37 ASP CB C 41.457 0.014 1 348 391 37 ASP N N 120.920 0.000 1 349 392 38 LEU H H 8.117 0.002 1 350 392 38 LEU HA H 4.229 0.003 1 351 392 38 LEU HB2 H 2.167 0.002 2 352 392 38 LEU HB3 H 1.658 0.004 2 353 392 38 LEU HG H 1.880 0.004 1 354 392 38 LEU HD1 H 0.853 0.003 2 355 392 38 LEU HD2 H 0.834 0.003 2 356 392 38 LEU CA C 57.555 0.000 1 357 392 38 LEU CB C 42.327 0.003 1 358 392 38 LEU CD1 C 26.218 0.081 2 359 392 38 LEU CD2 C 24.171 0.000 2 360 392 38 LEU N N 118.028 0.000 1 361 393 39 TYR H H 7.979 0.002 1 362 393 39 TYR HA H 3.983 0.003 1 363 393 39 TYR HB2 H 3.288 0.002 2 364 393 39 TYR HB3 H 3.226 0.003 2 365 393 39 TYR HD1 H 7.423 0.002 3 366 393 39 TYR HD2 H 7.423 0.002 3 367 393 39 TYR HE1 H 6.925 0.003 3 368 393 39 TYR HE2 H 6.925 0.003 3 369 393 39 TYR CA C 64.047 0.000 1 370 393 39 TYR CB C 38.014 0.010 1 371 393 39 TYR N N 118.029 0.000 1 372 394 40 ASP H H 8.104 0.002 1 373 394 40 ASP HA H 4.564 0.004 1 374 394 40 ASP HB2 H 3.082 0.003 2 375 394 40 ASP HB3 H 2.932 0.006 2 376 394 40 ASP CA C 57.607 0.000 1 377 394 40 ASP CB C 40.619 0.000 1 378 394 40 ASP N N 117.161 0.000 1 379 395 41 LEU H H 7.967 0.002 1 380 395 41 LEU HA H 4.363 0.002 1 381 395 41 LEU HB2 H 1.624 0.003 2 382 395 41 LEU HB3 H 1.421 0.003 2 383 395 41 LEU HG H 0.504 0.003 1 384 395 41 LEU HD1 H 0.621 0.002 2 385 395 41 LEU HD2 H -0.020 0.002 2 386 395 41 LEU CA C 57.470 0.000 1 387 395 41 LEU CB C 42.586 0.003 1 388 395 41 LEU CG C 26.176 0.000 1 389 395 41 LEU CD1 C 21.892 0.000 2 390 395 41 LEU CD2 C 24.594 0.000 2 391 395 41 LEU N N 117.683 0.000 1 392 396 42 PHE H H 8.825 0.005 1 393 396 42 PHE HA H 4.223 0.003 1 394 396 42 PHE HB2 H 3.169 0.004 2 395 396 42 PHE HB3 H 2.837 0.003 2 396 396 42 PHE HD1 H 7.970 0.002 3 397 396 42 PHE HD2 H 7.970 0.002 3 398 396 42 PHE HE1 H 7.137 0.002 3 399 396 42 PHE HE2 H 7.137 0.002 3 400 396 42 PHE HZ H 7.307 0.002 1 401 396 42 PHE CA C 63.243 0.000 1 402 396 42 PHE CB C 37.506 0.000 1 403 396 42 PHE N N 116.010 0.000 1 404 397 43 GLU H H 9.212 0.003 1 405 397 43 GLU HA H 5.502 0.005 1 406 397 43 GLU HB2 H 2.615 0.004 2 407 397 43 GLU HB3 H 2.418 0.004 2 408 397 43 GLU HG2 H 2.870 0.004 2 409 397 43 GLU HG3 H 2.750 0.003 2 410 397 43 GLU CA C 58.463 0.000 1 411 397 43 GLU CB C 28.981 0.002 1 412 397 43 GLU CG C 39.202 0.015 1 413 397 43 GLU N N 120.436 0.000 1 414 398 44 THR H H 7.480 0.002 1 415 398 44 THR HA H 4.338 0.004 1 416 398 44 THR HB H 4.389 0.004 1 417 398 44 THR HG1 H 5.433 0.002 1 418 398 44 THR HG2 H 1.679 0.001 1 419 398 44 THR CA C 64.804 0.000 1 420 398 44 THR CB C 69.590 0.000 1 421 398 44 THR CG2 C 21.343 0.000 1 422 398 44 THR N N 109.592 0.000 1 423 399 45 ILE H H 7.296 0.005 1 424 399 45 ILE HA H 4.134 0.002 1 425 399 45 ILE HB H 2.347 0.003 1 426 399 45 ILE HG12 H 1.745 0.004 2 427 399 45 ILE HG13 H 1.480 0.002 2 428 399 45 ILE HG2 H 0.915 0.003 1 429 399 45 ILE HD1 H 0.820 0.005 1 430 399 45 ILE CA C 60.923 0.000 1 431 399 45 ILE CB C 37.587 0.000 1 432 399 45 ILE CG1 C 27.788 0.033 1 433 399 45 ILE CG2 C 18.826 0.000 1 434 399 45 ILE CD1 C 10.184 0.000 1 435 399 45 ILE N N 119.695 0.000 1 436 400 46 GLY H H 7.314 0.002 1 437 400 46 GLY HA2 H 4.304 0.001 2 438 400 46 GLY HA3 H 4.227 0.003 2 439 400 46 GLY CA C 44.798 0.004 1 440 400 46 GLY N N 104.024 0.000 1 441 401 47 LYS H H 8.481 0.002 1 442 401 47 LYS HA H 4.494 0.002 1 443 401 47 LYS HB2 H 2.154 0.004 2 444 401 47 LYS HG2 H 1.707 0.004 2 445 401 47 LYS HG3 H 1.598 0.003 2 446 401 47 LYS HD2 H 2.041 0.005 2 447 401 47 LYS HD3 H 1.920 0.018 2 448 401 47 LYS HE2 H 3.292 0.004 2 449 401 47 LYS CA C 58.091 0.000 1 450 401 47 LYS CB C 33.144 0.000 1 451 401 47 LYS CG C 24.821 0.004 1 452 401 47 LYS CD C 29.218 0.001 1 453 401 47 LYS CE C 42.256 0.000 1 454 401 47 LYS N N 117.442 0.000 1 455 402 48 VAL H H 9.525 0.002 1 456 402 48 VAL HA H 4.204 0.002 1 457 402 48 VAL HB H 2.091 0.002 1 458 402 48 VAL HG1 H 0.681 0.002 2 459 402 48 VAL HG2 H 0.465 0.004 2 460 402 48 VAL CA C 61.597 0.000 1 461 402 48 VAL CB C 34.120 0.000 1 462 402 48 VAL CG1 C 22.960 0.000 2 463 402 48 VAL CG2 C 22.986 0.000 2 464 402 48 VAL N N 129.759 0.000 1 465 403 49 ASN H H 9.127 0.002 1 466 403 49 ASN HA H 4.950 0.007 1 467 403 49 ASN HB2 H 2.939 0.003 2 468 403 49 ASN HB3 H 2.658 0.003 2 469 403 49 ASN HD21 H 8.010 0.001 1 470 403 49 ASN HD22 H 7.772 0.002 1 471 403 49 ASN CA C 54.198 0.000 1 472 403 49 ASN CB C 39.398 0.007 1 473 403 49 ASN N N 125.421 0.000 1 474 403 49 ASN ND2 N 110.798 0.004 1 475 404 50 ASN H H 7.571 0.002 1 476 404 50 ASN HA H 4.935 0.007 1 477 404 50 ASN HB2 H 2.687 0.003 2 478 404 50 ASN HB3 H 2.001 0.004 2 479 404 50 ASN HD21 H 6.893 0.002 1 480 404 50 ASN HD22 H 6.636 0.002 1 481 404 50 ASN CA C 52.914 0.000 1 482 404 50 ASN CB C 42.671 0.000 1 483 404 50 ASN N N 114.950 0.000 1 484 404 50 ASN ND2 N 112.054 0.002 1 485 405 51 ALA H H 8.214 0.003 1 486 405 51 ALA HA H 5.218 0.003 1 487 405 51 ALA HB H 0.913 0.002 1 488 405 51 ALA CA C 51.957 0.000 1 489 405 51 ALA CB C 21.305 0.000 1 490 405 51 ALA N N 125.156 0.000 1 491 406 52 GLU H H 8.524 0.003 1 492 406 52 GLU HA H 4.941 0.007 1 493 406 52 GLU HB2 H 2.570 0.003 2 494 406 52 GLU HB3 H 2.292 0.004 2 495 406 52 GLU HG2 H 2.434 0.006 2 496 406 52 GLU HG3 H 1.848 0.004 2 497 406 52 GLU CA C 54.067 0.000 1 498 406 52 GLU CB C 35.532 0.024 1 499 406 52 GLU CG C 35.715 0.009 1 500 406 52 GLU N N 117.348 0.000 1 501 407 53 LEU H H 9.193 0.002 1 502 407 53 LEU HA H 4.787 0.004 1 503 407 53 LEU HB2 H 1.728 0.002 2 504 407 53 LEU HB3 H 1.273 0.003 2 505 407 53 LEU HG H 1.752 0.002 1 506 407 53 LEU HD1 H 1.074 0.004 2 507 407 53 LEU HD2 H 0.972 0.003 2 508 407 53 LEU CA C 54.610 0.000 1 509 407 53 LEU CB C 43.028 0.006 1 510 407 53 LEU CG C 28.157 0.000 1 511 407 53 LEU CD1 C 25.938 0.000 2 512 407 53 LEU CD2 C 24.485 0.000 2 513 407 53 LEU N N 121.658 0.000 1 514 408 54 ARG H H 8.543 0.002 1 515 408 54 ARG HA H 4.692 0.003 1 516 408 54 ARG HB2 H 1.894 0.003 2 517 408 54 ARG HB3 H 1.617 0.003 2 518 408 54 ARG HG2 H 1.897 0.006 2 519 408 54 ARG HG3 H 1.619 0.002 2 520 408 54 ARG HD2 H 3.497 0.002 2 521 408 54 ARG HD3 H 3.308 0.006 2 522 408 54 ARG HE H 6.930 0.006 1 523 408 54 ARG CA C 55.373 0.000 1 524 408 54 ARG CB C 31.488 0.001 1 525 408 54 ARG CG C 27.404 0.028 1 526 408 54 ARG CD C 44.063 0.001 1 527 408 54 ARG N N 120.236 0.000 1 528 408 54 ARG NE N 83.371 0.000 1 529 409 55 TYR H H 9.225 0.002 1 530 409 55 TYR HA H 5.357 0.003 1 531 409 55 TYR HB2 H 2.983 0.001 2 532 409 55 TYR HD1 H 7.119 0.002 3 533 409 55 TYR HD2 H 7.119 0.002 3 534 409 55 TYR HE1 H 7.031 0.003 3 535 409 55 TYR HE2 H 7.031 0.003 3 536 409 55 TYR CA C 57.021 0.000 1 537 409 55 TYR CB C 41.020 0.000 1 538 409 55 TYR N N 129.582 0.000 1 539 410 56 ASP H H 9.465 0.002 1 540 410 56 ASP HA H 4.879 0.005 1 541 410 56 ASP HB2 H 3.636 0.002 2 542 410 56 ASP HB3 H 2.789 0.002 2 543 410 56 ASP CA C 52.763 0.000 1 544 410 56 ASP CB C 41.036 0.001 1 545 410 56 ASP N N 121.492 0.000 1 546 411 57 SER H H 8.707 0.003 1 547 411 57 SER HA H 4.466 0.005 1 548 411 57 SER HB2 H 4.273 0.004 2 549 411 57 SER HB3 H 4.225 0.006 2 550 411 57 SER CA C 61.313 0.000 1 551 411 57 SER CB C 62.961 0.001 1 552 411 57 SER N N 112.941 0.000 1 553 412 58 LYS H H 8.522 0.002 1 554 412 58 LYS HA H 4.784 0.002 1 555 412 58 LYS HB2 H 2.251 0.012 2 556 412 58 LYS HB3 H 2.202 0.002 2 557 412 58 LYS HG2 H 1.683 0.002 2 558 412 58 LYS HD2 H 1.918 0.003 2 559 412 58 LYS HE2 H 3.235 0.006 2 560 412 58 LYS CA C 55.545 0.000 1 561 412 58 LYS CB C 32.453 0.001 1 562 412 58 LYS CG C 25.194 0.000 1 563 412 58 LYS CD C 28.933 0.000 1 564 412 58 LYS CE C 42.237 0.000 1 565 412 58 LYS N N 120.869 0.000 1 566 413 59 GLY H H 8.530 0.002 1 567 413 59 GLY HA2 H 4.428 0.004 2 568 413 59 GLY HA3 H 3.802 0.003 2 569 413 59 GLY CA C 45.595 0.003 1 570 413 59 GLY N N 109.362 0.000 1 571 414 60 ALA H H 8.973 0.002 1 572 414 60 ALA HA H 5.094 0.007 1 573 414 60 ALA HB H 1.728 0.002 1 574 414 60 ALA CA C 50.147 0.000 1 575 414 60 ALA CB C 18.468 0.000 1 576 414 60 ALA N N 126.379 0.000 1 577 415 61 PRO HA H 4.612 0.003 1 578 415 61 PRO HB2 H 2.640 0.004 2 579 415 61 PRO HB3 H 1.907 0.004 2 580 415 61 PRO HG2 H 2.396 0.006 2 581 415 61 PRO HG3 H 2.238 0.003 2 582 415 61 PRO HD2 H 4.218 0.003 2 583 415 61 PRO HD3 H 3.941 0.005 2 584 415 61 PRO CA C 63.235 0.000 1 585 415 61 PRO CB C 33.214 0.002 1 586 415 61 PRO CG C 28.030 0.005 1 587 415 61 PRO CD C 50.642 0.005 1 588 416 62 THR H H 8.057 0.002 1 589 416 62 THR HA H 4.626 0.008 1 590 416 62 THR HB H 4.534 0.004 1 591 416 62 THR HG1 H 4.803 0.004 1 592 416 62 THR HG2 H 1.378 0.003 1 593 416 62 THR CA C 61.766 0.000 1 594 416 62 THR CB C 72.228 0.000 1 595 416 62 THR CG2 C 21.528 0.000 1 596 416 62 THR N N 105.947 0.000 1 597 417 63 GLY H H 8.619 0.004 1 598 417 63 GLY HA2 H 4.603 0.006 2 599 417 63 GLY HA3 H 4.063 0.005 2 600 417 63 GLY CA C 46.439 0.002 1 601 417 63 GLY N N 113.129 0.000 1 602 418 64 ILE H H 7.655 0.003 1 603 418 64 ILE HA H 5.250 0.006 1 604 418 64 ILE HB H 1.814 0.004 1 605 418 64 ILE HG12 H 1.694 0.003 2 606 418 64 ILE HG13 H 1.176 0.003 2 607 418 64 ILE HG2 H 0.658 0.004 1 608 418 64 ILE HD1 H 1.188 0.002 1 609 418 64 ILE CA C 59.271 0.000 1 610 418 64 ILE CB C 40.316 0.000 1 611 418 64 ILE CG1 C 28.703 0.064 1 612 418 64 ILE CG2 C 17.405 0.000 1 613 418 64 ILE CD1 C 14.568 0.000 1 614 418 64 ILE N N 119.665 0.000 1 615 419 65 ALA H H 9.351 0.004 1 616 419 65 ALA HA H 5.195 0.004 1 617 419 65 ALA HB H 1.185 0.002 1 618 419 65 ALA CA C 50.233 0.000 1 619 419 65 ALA CB C 25.826 0.000 1 620 419 65 ALA N N 126.865 0.000 1 621 420 66 VAL H H 8.341 0.003 1 622 420 66 VAL HA H 4.964 0.006 1 623 420 66 VAL HB H 1.786 0.006 1 624 420 66 VAL HG1 H 0.946 0.002 2 625 420 66 VAL HG2 H 0.810 0.002 2 626 420 66 VAL CA C 60.912 0.000 1 627 420 66 VAL CB C 34.342 0.000 1 628 420 66 VAL CG1 C 21.573 0.000 2 629 420 66 VAL CG2 C 22.051 0.000 2 630 420 66 VAL N N 117.478 0.000 1 631 421 67 VAL H H 8.965 0.003 1 632 421 67 VAL HA H 4.453 0.004 1 633 421 67 VAL HB H 1.481 0.002 1 634 421 67 VAL HG1 H 0.267 0.003 2 635 421 67 VAL HG2 H -0.161 0.001 2 636 421 67 VAL CA C 61.204 0.000 1 637 421 67 VAL CB C 35.675 0.000 1 638 421 67 VAL CG1 C 20.776 0.000 2 639 421 67 VAL CG2 C 18.740 0.000 2 640 421 67 VAL N N 126.379 0.000 1 641 422 68 GLU H H 9.421 0.002 1 642 422 68 GLU HA H 5.155 0.006 1 643 422 68 GLU HB2 H 2.482 0.003 2 644 422 68 GLU HB3 H 2.194 0.004 2 645 422 68 GLU HG2 H 2.354 0.003 2 646 422 68 GLU HG3 H 2.244 0.008 2 647 422 68 GLU CA C 54.843 0.000 1 648 422 68 GLU CB C 33.800 0.007 1 649 422 68 GLU CG C 37.283 0.003 1 650 422 68 GLU N N 127.424 0.000 1 651 423 69 TYR H H 8.849 0.002 1 652 423 69 TYR HA H 4.901 0.008 1 653 423 69 TYR HB2 H 3.724 0.001 2 654 423 69 TYR HB3 H 3.086 0.002 2 655 423 69 TYR HD1 H 7.314 0.003 3 656 423 69 TYR HD2 H 7.314 0.003 3 657 423 69 TYR HE1 H 7.034 0.007 3 658 423 69 TYR HE2 H 7.034 0.007 3 659 423 69 TYR CA C 61.370 0.000 1 660 423 69 TYR CB C 39.371 0.002 1 661 423 69 TYR N N 128.132 0.000 1 662 424 70 ASP H H 8.220 0.002 1 663 424 70 ASP HA H 4.773 0.003 1 664 424 70 ASP HB2 H 2.929 0.003 2 665 424 70 ASP HB3 H 2.888 0.002 2 666 424 70 ASP CA C 57.439 0.000 1 667 424 70 ASP CB C 42.747 0.002 1 668 424 70 ASP N N 119.634 0.000 1 669 425 71 ASN H H 9.411 0.002 1 670 425 71 ASN HA H 5.258 0.003 1 671 425 71 ASN HB2 H 3.193 0.004 2 672 425 71 ASN HB3 H 3.032 0.004 2 673 425 71 ASN HD21 H 7.249 0.002 1 674 425 71 ASN HD22 H 7.973 0.002 1 675 425 71 ASN CA C 51.376 0.000 1 676 425 71 ASN CB C 41.034 0.005 1 677 425 71 ASN N N 115.552 0.000 1 678 425 71 ASN ND2 N 113.389 0.002 1 679 426 72 VAL H H 9.154 0.002 1 680 426 72 VAL HA H 3.917 0.005 1 681 426 72 VAL HB H 2.240 0.002 1 682 426 72 VAL HG1 H 1.201 0.003 2 683 426 72 VAL HG2 H 1.052 0.003 2 684 426 72 VAL CA C 65.190 0.000 1 685 426 72 VAL CB C 31.822 0.000 1 686 426 72 VAL CG1 C 19.325 0.000 2 687 426 72 VAL CG2 C 21.687 0.000 2 688 426 72 VAL N N 126.520 0.000 1 689 427 73 ASP H H 8.305 0.002 1 690 427 73 ASP HA H 4.578 0.003 1 691 427 73 ASP HB2 H 2.894 0.002 2 692 427 73 ASP HB3 H 2.622 0.002 2 693 427 73 ASP CA C 57.344 0.000 1 694 427 73 ASP CB C 40.033 0.003 1 695 427 73 ASP N N 120.717 0.000 1 696 428 74 ASP H H 7.600 0.002 1 697 428 74 ASP HA H 4.462 0.003 1 698 428 74 ASP HB2 H 2.931 0.003 2 699 428 74 ASP HB3 H 2.099 0.004 2 700 428 74 ASP CA C 56.490 0.000 1 701 428 74 ASP CB C 40.053 0.007 1 702 428 74 ASP N N 117.482 0.000 1 703 429 75 ALA H H 7.153 0.002 1 704 429 75 ALA HA H 3.854 0.001 1 705 429 75 ALA HB H 2.039 0.002 1 706 429 75 ALA CA C 55.884 0.000 1 707 429 75 ALA CB C 18.426 0.000 1 708 429 75 ALA N N 123.645 0.000 1 709 430 76 ASP H H 8.029 0.002 1 710 430 76 ASP HA H 4.478 0.007 1 711 430 76 ASP HB2 H 3.362 0.002 2 712 430 76 ASP HB3 H 3.021 0.004 2 713 430 76 ASP CA C 57.568 0.000 1 714 430 76 ASP CB C 40.307 0.002 1 715 430 76 ASP N N 115.821 0.000 1 716 431 77 VAL H H 7.509 0.006 1 717 431 77 VAL HA H 3.861 0.002 1 718 431 77 VAL HB H 2.222 0.004 1 719 431 77 VAL HG1 H 1.340 0.002 2 720 431 77 VAL HG2 H 1.176 0.002 2 721 431 77 VAL CA C 65.987 0.000 1 722 431 77 VAL CB C 31.505 0.000 1 723 431 77 VAL CG1 C 23.075 0.000 2 724 431 77 VAL CG2 C 22.376 0.000 2 725 431 77 VAL N N 120.911 0.000 1 726 432 78 CYS H H 8.601 0.003 1 727 432 78 CYS HA H 3.953 0.004 1 728 432 78 CYS HB2 H 3.625 0.004 2 729 432 78 CYS HB3 H 3.132 0.003 2 730 432 78 CYS HG H 2.089 0.003 1 731 432 78 CYS CA C 63.307 0.000 1 732 432 78 CYS CB C 26.151 0.005 1 733 432 78 CYS N N 121.808 0.000 1 734 433 79 ILE H H 7.724 0.002 1 735 433 79 ILE HA H 3.576 0.003 1 736 433 79 ILE HB H 1.965 0.005 1 737 433 79 ILE HG12 H 1.567 0.002 2 738 433 79 ILE HG13 H 0.879 0.004 2 739 433 79 ILE HG2 H 1.026 0.002 1 740 433 79 ILE HD1 H 0.234 0.001 1 741 433 79 ILE CA C 65.891 0.000 1 742 433 79 ILE CB C 38.339 0.000 1 743 433 79 ILE CG1 C 29.868 0.002 1 744 433 79 ILE CG2 C 17.753 0.000 1 745 433 79 ILE CD1 C 12.750 0.000 1 746 433 79 ILE N N 117.428 0.000 1 747 434 80 GLU H H 7.663 0.002 1 748 434 80 GLU HA H 4.196 0.002 1 749 434 80 GLU HB2 H 2.395 0.003 2 750 434 80 GLU HG2 H 2.608 0.003 2 751 434 80 GLU HG3 H 2.410 0.001 2 752 434 80 GLU CA C 59.655 0.000 1 753 434 80 GLU CB C 30.386 0.000 1 754 434 80 GLU CG C 36.091 0.004 1 755 434 80 GLU N N 117.961 0.000 1 756 435 81 ARG H H 9.001 0.002 1 757 435 81 ARG HA H 4.510 0.004 1 758 435 81 ARG HB2 H 1.903 0.003 2 759 435 81 ARG HG2 H 1.971 0.003 2 760 435 81 ARG HG3 H 1.838 0.003 2 761 435 81 ARG HD2 H 3.296 0.004 2 762 435 81 ARG HD3 H 3.180 0.003 2 763 435 81 ARG HE H 7.469 0.003 1 764 435 81 ARG CA C 58.258 0.000 1 765 435 81 ARG CB C 31.932 0.000 1 766 435 81 ARG CG C 27.732 0.005 1 767 435 81 ARG CD C 43.359 0.003 1 768 435 81 ARG N N 114.681 0.000 1 769 435 81 ARG NE N 84.292 0.000 1 770 436 82 LEU H H 9.081 0.003 1 771 436 82 LEU HA H 4.808 0.006 1 772 436 82 LEU HB2 H 2.264 0.002 2 773 436 82 LEU HB3 H 1.380 0.006 2 774 436 82 LEU HG H 1.478 0.002 1 775 436 82 LEU HD1 H 0.510 0.003 2 776 436 82 LEU HD2 H 0.292 0.003 2 777 436 82 LEU CA C 54.863 0.000 1 778 436 82 LEU CB C 43.002 0.003 1 779 436 82 LEU CG C 27.272 0.000 1 780 436 82 LEU CD1 C 25.874 0.000 2 781 436 82 LEU CD2 C 22.399 0.000 2 782 436 82 LEU N N 115.828 0.000 1 783 437 83 ASN H H 7.877 0.003 1 784 437 83 ASN HA H 4.795 0.003 1 785 437 83 ASN HB2 H 3.235 0.004 2 786 437 83 ASN HB3 H 3.202 0.002 2 787 437 83 ASN HD21 H 7.086 0.002 1 788 437 83 ASN HD22 H 7.874 0.002 1 789 437 83 ASN CA C 56.019 0.000 1 790 437 83 ASN CB C 38.676 0.011 1 791 437 83 ASN N N 117.474 0.000 1 792 437 83 ASN ND2 N 112.382 0.011 1 793 438 84 ASN H H 9.348 0.001 1 794 438 84 ASN HA H 4.594 0.002 1 795 438 84 ASN HB2 H 3.339 0.004 2 796 438 84 ASN HB3 H 3.174 0.005 2 797 438 84 ASN HD21 H 7.021 0.002 1 798 438 84 ASN HD22 H 7.826 0.001 1 799 438 84 ASN CA C 55.766 0.000 1 800 438 84 ASN CB C 38.424 0.002 1 801 438 84 ASN N N 122.633 0.000 1 802 438 84 ASN ND2 N 112.753 0.001 1 803 439 85 TYR H H 8.130 0.003 1 804 439 85 TYR HA H 4.598 0.003 1 805 439 85 TYR HB2 H 3.361 0.002 2 806 439 85 TYR HB3 H 3.283 0.002 2 807 439 85 TYR HD1 H 7.223 0.002 3 808 439 85 TYR HD2 H 7.223 0.002 3 809 439 85 TYR HE1 H 7.034 0.001 3 810 439 85 TYR HE2 H 7.034 0.001 3 811 439 85 TYR CA C 58.010 0.000 1 812 439 85 TYR CB C 40.883 0.008 1 813 439 85 TYR N N 121.536 0.000 1 814 440 86 ASN H H 8.066 0.003 1 815 440 86 ASN HA H 5.138 0.005 1 816 440 86 ASN HB2 H 2.746 0.003 2 817 440 86 ASN HB3 H 2.706 0.006 2 818 440 86 ASN HD21 H 6.129 0.004 1 819 440 86 ASN HD22 H 7.969 0.001 1 820 440 86 ASN CA C 53.649 0.000 1 821 440 86 ASN CB C 39.446 0.000 1 822 440 86 ASN N N 126.630 0.000 1 823 440 86 ASN ND2 N 110.931 0.006 1 824 441 87 TYR H H 9.249 0.002 1 825 441 87 TYR HA H 4.944 0.006 1 826 441 87 TYR HB2 H 3.178 0.002 2 827 441 87 TYR HB3 H 3.081 0.002 2 828 441 87 TYR HD1 H 7.292 0.004 3 829 441 87 TYR HD2 H 7.292 0.004 3 830 441 87 TYR HE1 H 7.043 0.004 3 831 441 87 TYR HE2 H 7.043 0.004 3 832 441 87 TYR CA C 55.910 0.000 1 833 441 87 TYR CB C 41.290 0.003 1 834 441 87 TYR N N 129.758 0.000 1 835 442 88 GLY H H 8.736 0.003 1 836 442 88 GLY HA2 H 3.770 0.003 2 837 442 88 GLY HA3 H 3.664 0.004 2 838 442 88 GLY CA C 46.869 0.002 1 839 442 88 GLY N N 114.955 0.000 1 840 443 89 GLY H H 7.790 0.001 1 841 443 89 GLY HA2 H 4.498 0.007 2 842 443 89 GLY HA3 H 3.914 0.003 2 843 443 89 GLY CA C 45.179 0.001 1 844 443 89 GLY N N 103.860 0.000 1 845 444 90 CYS H H 7.768 0.003 1 846 444 90 CYS HA H 4.711 0.004 1 847 444 90 CYS HB2 H 3.639 0.002 2 848 444 90 CYS HB3 H 3.206 0.003 2 849 444 90 CYS CA C 58.227 0.000 1 850 444 90 CYS CB C 31.053 0.009 1 851 444 90 CYS N N 120.702 0.000 1 852 445 91 ASP H H 8.674 0.002 1 853 445 91 ASP HA H 5.079 0.008 1 854 445 91 ASP HB2 H 2.770 0.004 2 855 445 91 ASP HB3 H 2.617 0.003 2 856 445 91 ASP CA C 53.795 0.000 1 857 445 91 ASP CB C 40.366 0.015 1 858 445 91 ASP N N 122.912 0.000 1 859 446 92 LEU H H 9.273 0.004 1 860 446 92 LEU HA H 4.580 0.003 1 861 446 92 LEU HB2 H 2.626 0.004 2 862 446 92 LEU HB3 H 1.581 0.004 2 863 446 92 LEU HG H 2.590 0.003 1 864 446 92 LEU HD1 H 1.092 0.005 2 865 446 92 LEU HD2 H 1.066 0.004 2 866 446 92 LEU CA C 56.412 0.000 1 867 446 92 LEU CB C 42.372 0.007 1 868 446 92 LEU CG C 26.657 0.000 1 869 446 92 LEU CD1 C 26.009 0.000 2 870 446 92 LEU CD2 C 23.013 0.000 2 871 446 92 LEU N N 127.057 0.000 1 872 447 93 ASP H H 8.425 0.002 1 873 447 93 ASP HA H 5.476 0.004 1 874 447 93 ASP HB2 H 3.341 0.003 2 875 447 93 ASP HB3 H 2.757 0.003 2 876 447 93 ASP CA C 53.132 0.000 1 877 447 93 ASP CB C 42.474 0.015 1 878 447 93 ASP N N 122.705 0.000 1 879 448 94 ILE H H 8.872 0.002 1 880 448 94 ILE HA H 5.454 0.002 1 881 448 94 ILE HB H 1.710 0.003 1 882 448 94 ILE HG12 H 1.826 0.002 2 883 448 94 ILE HG13 H 1.441 0.004 2 884 448 94 ILE HG2 H 1.173 0.003 1 885 448 94 ILE HD1 H 1.117 0.004 1 886 448 94 ILE CA C 59.710 0.000 1 887 448 94 ILE CB C 41.026 0.000 1 888 448 94 ILE CG1 C 28.638 0.025 1 889 448 94 ILE CG2 C 19.632 0.000 1 890 448 94 ILE CD1 C 14.009 0.000 1 891 448 94 ILE N N 126.467 0.000 1 892 449 95 SER H H 9.180 0.003 1 893 449 95 SER HA H 4.684 0.003 1 894 449 95 SER HB2 H 4.495 0.004 2 895 449 95 SER HB3 H 4.273 0.005 2 896 449 95 SER HG H 6.257 0.001 1 897 449 95 SER CA C 57.284 0.000 1 898 449 95 SER CB C 65.778 0.003 1 899 449 95 SER N N 120.237 0.000 1 900 450 96 TYR H H 8.369 0.001 1 901 450 96 TYR HA H 5.060 0.006 1 902 450 96 TYR HB2 H 3.127 0.003 2 903 450 96 TYR HB3 H 2.717 0.002 2 904 450 96 TYR HD1 H 7.900 0.003 3 905 450 96 TYR HD2 H 7.423 0.003 3 906 450 96 TYR HE1 H 7.026 0.004 3 907 450 96 TYR HE2 H 7.079 0.002 3 908 450 96 TYR CA C 59.237 0.000 1 909 450 96 TYR CB C 38.449 0.013 1 910 450 96 TYR N N 117.928 0.000 1 911 451 97 ALA H H 9.552 0.003 1 912 451 97 ALA HA H 4.974 0.005 1 913 451 97 ALA HB H 1.372 0.003 1 914 451 97 ALA CA C 51.045 0.000 1 915 451 97 ALA CB C 20.806 0.000 1 916 451 97 ALA N N 123.741 0.000 1 917 452 98 LYS H H 9.301 0.003 1 918 452 98 LYS HA H 4.679 0.003 1 919 452 98 LYS HB2 H 1.831 0.004 2 920 452 98 LYS HB3 H 1.500 0.002 2 921 452 98 LYS HG2 H 1.471 0.002 2 922 452 98 LYS HG3 H 1.222 0.001 2 923 452 98 LYS HD2 H 1.763 0.004 2 924 452 98 LYS HD3 H 1.735 0.002 2 925 452 98 LYS HE2 H 3.064 0.002 2 926 452 98 LYS HE3 H 3.025 0.002 2 927 452 98 LYS CA C 55.081 0.000 1 928 452 98 LYS CB C 35.660 0.003 1 929 452 98 LYS CG C 24.605 0.003 1 930 452 98 LYS CD C 29.616 0.004 1 931 452 98 LYS CE C 42.014 0.001 1 932 452 98 LYS N N 121.891 0.000 1 933 453 99 ARG H H 8.783 0.001 1 934 453 99 ARG HA H 4.841 0.003 1 935 453 99 ARG HB2 H 2.009 0.003 2 936 453 99 ARG HB3 H 1.848 0.002 2 937 453 99 ARG HG2 H 1.812 0.001 2 938 453 99 ARG HG3 H 1.701 0.003 2 939 453 99 ARG HD2 H 3.430 0.002 2 940 453 99 ARG HD3 H 3.366 0.002 2 941 453 99 ARG HE H 7.275 0.003 1 942 453 99 ARG CA C 56.649 0.000 1 943 453 99 ARG CB C 30.144 0.002 1 944 453 99 ARG CG C 28.534 0.008 1 945 453 99 ARG CD C 43.210 0.000 1 946 453 99 ARG N N 125.493 0.000 1 947 453 99 ARG NE N 84.288 0.000 1 948 454 100 LEU H H 8.452 0.001 1 949 454 100 LEU HA H 4.333 0.002 1 950 454 100 LEU HB2 H 1.779 0.003 2 951 454 100 LEU HB3 H 1.735 0.002 2 952 454 100 LEU HG H 1.713 0.001 1 953 454 100 LEU HD1 H 1.022 0.004 2 954 454 100 LEU HD2 H 0.968 0.004 2 955 454 100 LEU CA C 56.473 0.000 1 956 454 100 LEU CB C 43.116 0.004 1 957 454 100 LEU CG C 27.238 0.000 1 958 454 100 LEU CD1 C 25.810 0.000 2 959 454 100 LEU CD2 C 22.943 0.000 2 960 454 100 LEU N N 131.070 0.000 1 stop_ save_