data_25883 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DD homodimer ; _BMRB_accession_number 25883 _BMRB_flat_file_name bmr25883.str _Entry_type original _Submission_date 2015-11-07 _Accession_date 2015-11-07 _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 Lin Zhi . . 2 Ibanez Carlos F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 475 "13C chemical shifts" 284 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-21 original BMRB . stop_ _Original_release_date 2015-12-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis of death domain signaling in the p75 neurotrophin receptor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26646181 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Zhi . . 2 Tann Jason Y. . 3 Goh Eddy TH . 4 Kelly Claire . . 5 Lim Kim B. . 6 Gao Jian F. . 7 Ibanez Carlos F. . stop_ _Journal_abbreviation Elife _Journal_volume 4 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11692 _Page_last 11692 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DD homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity entity_2 $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 10172.424 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; GLYSSLPPAKREEVEKLLNG SAGDTWRHLAGELGYQPEHI DSFTHEACPVRALLASWATQ DSATLDALLAALRRIQRADL VESLCSESTATSPV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 334 GLY 2 335 LEU 3 336 TYR 4 337 SER 5 338 SER 6 339 LEU 7 340 PRO 8 341 PRO 9 342 ALA 10 343 LYS 11 344 ARG 12 345 GLU 13 346 GLU 14 347 VAL 15 348 GLU 16 349 LYS 17 350 LEU 18 351 LEU 19 352 ASN 20 353 GLY 21 354 SER 22 355 ALA 23 356 GLY 24 357 ASP 25 358 THR 26 359 TRP 27 360 ARG 28 361 HIS 29 362 LEU 30 363 ALA 31 364 GLY 32 365 GLU 33 366 LEU 34 367 GLY 35 368 TYR 36 369 GLN 37 370 PRO 38 371 GLU 39 372 HIS 40 373 ILE 41 374 ASP 42 375 SER 43 376 PHE 44 377 THR 45 378 HIS 46 379 GLU 47 380 ALA 48 381 CYS 49 382 PRO 50 383 VAL 51 384 ARG 52 385 ALA 53 386 LEU 54 387 LEU 55 388 ALA 56 389 SER 57 390 TRP 58 391 ALA 59 392 THR 60 393 GLN 61 394 ASP 62 395 SER 63 396 ALA 64 397 THR 65 398 LEU 66 399 ASP 67 400 ALA 68 401 LEU 69 402 LEU 70 403 ALA 71 404 ALA 72 405 LEU 73 406 ARG 74 407 ARG 75 408 ILE 76 409 GLN 77 410 ARG 78 411 ALA 79 412 ASP 80 413 LEU 81 414 VAL 82 415 GLU 83 416 SER 84 417 LEU 85 418 CYS 86 419 SER 87 420 GLU 88 421 SER 89 422 THR 90 423 ALA 91 424 THR 92 425 SER 93 426 PRO 94 427 VAL 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 $entity human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET32a-derived 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 $entity 1 mM '[U-99% 13C; U-99% 15N]' DTT 10 mM '[U-98% 2H]' $entity 1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Braun 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_ ######################### # 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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_13C,15N-filtered_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N-filtered NOESY' _Sample_label $sample_1 save_ save_3D_13C,_15N-edited_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C, 15N-edited NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_13C,15N-filtered_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N-filtered NOESY' _Sample_label $sample_1 save_ save_4D_13C,_15N-edited_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C, 15N-edited NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 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 aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 13C,15N-filtered NOESY' '3D 13C, 15N-edited NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 334 1 GLY H H 8.420 0.02 1 2 334 1 GLY HA2 H 4.020 0.02 2 3 334 1 GLY HA3 H 4.020 0.02 2 4 334 1 GLY CA C 44.719 0.2 1 5 334 1 GLY N N 108.174 0.1 1 6 335 2 LEU H H 8.199 0.02 1 7 335 2 LEU HA H 4.287 0.02 1 8 335 2 LEU HB2 H 1.873 0.02 2 9 335 2 LEU HB3 H 1.660 0.02 2 10 335 2 LEU HG H 1.691 0.02 1 11 335 2 LEU HD1 H 0.900 0.02 2 12 335 2 LEU HD2 H 0.780 0.02 2 13 335 2 LEU CA C 55.162 0.2 1 14 335 2 LEU CB C 41.170 0.2 1 15 335 2 LEU CG C 26.720 0.2 1 16 335 2 LEU CD1 C 24.738 0.2 1 17 335 2 LEU CD2 C 22.300 0.2 1 18 335 2 LEU N N 120.620 0.1 1 19 336 3 TYR H H 8.905 0.02 1 20 336 3 TYR HA H 4.089 0.02 1 21 336 3 TYR HB2 H 3.044 0.02 2 22 336 3 TYR HB3 H 2.888 0.02 2 23 336 3 TYR HD1 H 6.950 0.02 3 24 336 3 TYR HE1 H 6.668 0.02 3 25 336 3 TYR CA C 61.763 0.2 1 26 336 3 TYR CB C 38.965 0.2 1 27 336 3 TYR CD1 C 132.300 0.2 3 28 336 3 TYR CE1 C 117.080 0.2 3 29 336 3 TYR N N 126.786 0.1 1 30 337 4 SER H H 9.291 0.02 1 31 337 4 SER HA H 4.027 0.02 1 32 337 4 SER HB2 H 3.922 0.02 2 33 337 4 SER HB3 H 3.922 0.02 2 34 337 4 SER CA C 59.545 0.2 1 35 337 4 SER CB C 62.530 0.2 1 36 337 4 SER N N 111.277 0.1 1 37 338 5 SER H H 7.519 0.02 1 38 338 5 SER HA H 4.511 0.02 1 39 338 5 SER HB2 H 4.008 0.02 2 40 338 5 SER HB3 H 4.008 0.02 2 41 338 5 SER CA C 58.349 0.2 1 42 338 5 SER CB C 63.785 0.2 1 43 338 5 SER N N 115.966 0.1 1 44 339 6 LEU H H 7.593 0.02 1 45 339 6 LEU CA C 53.084 0.2 1 46 339 6 LEU CB C 41.356 0.2 1 47 339 6 LEU N N 124.049 0.1 1 48 341 8 PRO HA H 4.033 0.02 1 49 341 8 PRO HB2 H 2.030 0.02 2 50 341 8 PRO HB3 H 2.394 0.02 2 51 341 8 PRO HG2 H 2.080 0.02 2 52 341 8 PRO HG3 H 2.227 0.02 2 53 341 8 PRO HD2 H 3.875 0.02 2 54 341 8 PRO HD3 H 3.875 0.02 2 55 341 8 PRO CA C 65.596 0.2 1 56 341 8 PRO CB C 31.370 0.2 1 57 341 8 PRO CG C 27.023 0.2 1 58 341 8 PRO CD C 50.200 0.2 1 59 342 9 ALA H H 8.656 0.02 1 60 342 9 ALA HA H 4.194 0.02 1 61 342 9 ALA HB H 1.442 0.02 1 62 342 9 ALA CA C 54.703 0.2 1 63 342 9 ALA CB C 18.052 0.2 1 64 342 9 ALA N N 117.577 0.1 1 65 343 10 LYS H H 7.273 0.02 1 66 343 10 LYS HA H 4.341 0.02 1 67 343 10 LYS HB2 H 1.941 0.02 2 68 343 10 LYS HB3 H 1.941 0.02 2 69 343 10 LYS HG2 H 1.482 0.02 2 70 343 10 LYS HG3 H 1.613 0.02 2 71 343 10 LYS HD2 H 1.803 0.02 2 72 343 10 LYS HD3 H 1.803 0.02 2 73 343 10 LYS HE2 H 3.000 0.02 2 74 343 10 LYS HE3 H 2.910 0.02 2 75 343 10 LYS CA C 56.547 0.2 1 76 343 10 LYS CB C 31.345 0.2 1 77 343 10 LYS CG C 24.188 0.2 1 78 343 10 LYS CD C 27.523 0.2 1 79 343 10 LYS CE C 41.459 0.2 1 80 343 10 LYS N N 117.177 0.1 1 81 344 11 ARG H H 7.583 0.02 1 82 344 11 ARG HA H 3.870 0.02 1 83 344 11 ARG HB2 H 1.970 0.02 2 84 344 11 ARG HB3 H 1.728 0.02 2 85 344 11 ARG HG2 H 1.346 0.02 2 86 344 11 ARG HG3 H 1.105 0.02 2 87 344 11 ARG HD2 H 2.913 0.02 2 88 344 11 ARG HD3 H 3.030 0.02 2 89 344 11 ARG CA C 59.977 0.2 1 90 344 11 ARG CB C 29.711 0.2 1 91 344 11 ARG CG C 29.200 0.2 1 92 344 11 ARG CD C 42.990 0.2 1 93 344 11 ARG N N 118.906 0.1 1 94 345 12 GLU H H 8.221 0.02 1 95 345 12 GLU HA H 3.956 0.02 1 96 345 12 GLU HB2 H 2.050 0.02 2 97 345 12 GLU HB3 H 2.065 0.02 2 98 345 12 GLU HG2 H 2.232 0.02 2 99 345 12 GLU HG3 H 2.375 0.02 2 100 345 12 GLU CA C 59.016 0.2 1 101 345 12 GLU CB C 29.000 0.2 1 102 345 12 GLU CG C 36.166 0.2 1 103 345 12 GLU N N 117.580 0.1 1 104 346 13 GLU H H 7.372 0.02 1 105 346 13 GLU HA H 4.039 0.02 1 106 346 13 GLU HB2 H 2.258 0.02 2 107 346 13 GLU HB3 H 2.258 0.02 2 108 346 13 GLU HG2 H 2.441 0.02 2 109 346 13 GLU HG3 H 2.250 0.02 2 110 346 13 GLU CA C 59.074 0.2 1 111 346 13 GLU CB C 29.385 0.2 1 112 346 13 GLU CG C 35.657 0.2 1 113 346 13 GLU N N 119.310 0.1 1 114 347 14 VAL H H 7.974 0.02 1 115 347 14 VAL HA H 3.503 0.02 1 116 347 14 VAL HB H 2.508 0.02 1 117 347 14 VAL HG1 H 0.940 0.02 2 118 347 14 VAL HG2 H 1.113 0.02 2 119 347 14 VAL CA C 66.670 0.2 1 120 347 14 VAL CB C 31.000 0.2 1 121 347 14 VAL CG1 C 21.624 0.2 1 122 347 14 VAL CG2 C 22.450 0.2 1 123 347 14 VAL N N 119.380 0.1 1 124 348 15 GLU H H 8.054 0.02 1 125 348 15 GLU HA H 3.565 0.02 1 126 348 15 GLU HB2 H 1.832 0.02 2 127 348 15 GLU HB3 H 2.093 0.02 2 128 348 15 GLU HG2 H 2.586 0.02 2 129 348 15 GLU HG3 H 2.030 0.02 2 130 348 15 GLU CA C 59.438 0.2 1 131 348 15 GLU CB C 28.833 0.2 1 132 348 15 GLU CG C 36.932 0.2 1 133 348 15 GLU N N 116.894 0.1 1 134 349 16 LYS H H 7.818 0.02 1 135 349 16 LYS HA H 4.032 0.02 1 136 349 16 LYS HB2 H 1.949 0.02 2 137 349 16 LYS HB3 H 1.949 0.02 2 138 349 16 LYS HG2 H 1.450 0.02 2 139 349 16 LYS HG3 H 1.670 0.02 2 140 349 16 LYS HD2 H 1.710 0.02 2 141 349 16 LYS HE2 H 2.980 0.02 2 142 349 16 LYS HE3 H 2.980 0.02 2 143 349 16 LYS CA C 58.827 0.2 1 144 349 16 LYS CB C 32.188 0.2 1 145 349 16 LYS CG C 24.955 0.2 1 146 349 16 LYS CD C 29.100 0.2 1 147 349 16 LYS CE C 41.714 0.2 1 148 349 16 LYS N N 116.820 0.1 1 149 350 17 LEU H H 7.922 0.02 1 150 350 17 LEU HA H 4.214 0.02 1 151 350 17 LEU HB2 H 1.946 0.02 2 152 350 17 LEU HB3 H 1.587 0.02 2 153 350 17 LEU HG H 1.900 0.02 1 154 350 17 LEU HD1 H 0.927 0.02 2 155 350 17 LEU HD2 H 0.927 0.02 2 156 350 17 LEU CA C 56.421 0.2 1 157 350 17 LEU CB C 42.000 0.2 1 158 350 17 LEU CG C 26.549 0.2 1 159 350 17 LEU CD1 C 24.901 0.2 1 160 350 17 LEU CD2 C 23.030 0.2 1 161 350 17 LEU N N 119.412 0.1 1 162 351 18 LEU H H 7.519 0.02 1 163 351 18 LEU HA H 4.322 0.02 1 164 351 18 LEU HB2 H 1.700 0.02 2 165 351 18 LEU HB3 H 1.638 0.02 2 166 351 18 LEU HG H 1.689 0.02 1 167 351 18 LEU HD1 H 0.740 0.02 2 168 351 18 LEU HD2 H 0.750 0.02 2 169 351 18 LEU CA C 54.455 0.2 1 170 351 18 LEU CB C 42.453 0.2 1 171 351 18 LEU CG C 26.463 0.2 1 172 351 18 LEU CD1 C 25.512 0.2 1 173 351 18 LEU CD2 C 23.631 0.2 1 174 351 18 LEU N N 117.000 0.1 1 175 352 19 ASN H H 7.237 0.02 1 176 352 19 ASN HA H 4.640 0.02 1 177 352 19 ASN HB2 H 2.690 0.02 2 178 352 19 ASN HB3 H 2.832 0.02 2 179 352 19 ASN HD21 H 7.643 0.02 2 180 352 19 ASN HD22 H 6.740 0.02 2 181 352 19 ASN CA C 54.573 0.2 1 182 352 19 ASN CB C 41.100 0.2 1 183 352 19 ASN N N 122.679 0.1 1 184 352 19 ASN ND2 N 112.824 0.1 1 185 353 20 GLY H H 8.638 0.02 1 186 353 20 GLY HA2 H 4.700 0.02 2 187 353 20 GLY CA C 45.340 0.2 1 188 353 20 GLY N N 115.977 0.1 1 189 354 21 SER H H 8.800 0.02 1 190 354 21 SER HA H 4.640 0.02 1 191 354 21 SER HB2 H 4.179 0.02 2 192 354 21 SER HB3 H 4.063 0.02 2 193 354 21 SER CA C 58.437 0.2 1 194 354 21 SER CB C 64.586 0.2 1 195 354 21 SER N N 117.878 0.1 1 196 355 22 ALA H H 8.404 0.02 1 197 355 22 ALA HA H 4.551 0.02 1 198 355 22 ALA HB H 1.545 0.02 1 199 355 22 ALA CA C 52.133 0.2 1 200 355 22 ALA CB C 17.908 0.2 1 201 355 22 ALA N N 122.760 0.1 1 202 356 23 GLY H H 8.379 0.02 1 203 356 23 GLY CA C 45.200 0.2 1 204 356 23 GLY N N 107.748 0.1 1 205 357 24 ASP H H 8.260 0.02 1 206 357 24 ASP HA H 4.545 0.02 1 207 357 24 ASP HB2 H 2.546 0.02 2 208 357 24 ASP HB3 H 2.546 0.02 2 209 357 24 ASP CA C 53.839 0.2 1 210 357 24 ASP CB C 40.902 0.2 1 211 357 24 ASP N N 117.021 0.1 1 212 358 25 THR H H 8.130 0.02 1 213 358 25 THR HA H 3.796 0.02 1 214 358 25 THR HB H 4.320 0.02 1 215 358 25 THR HG2 H 1.140 0.02 1 216 358 25 THR CA C 67.200 0.2 1 217 358 25 THR CB C 67.500 0.2 1 218 358 25 THR CG2 C 21.480 0.2 1 219 358 25 THR N N 118.470 0.1 1 220 359 26 TRP H H 8.612 0.02 1 221 359 26 TRP HA H 3.965 0.02 1 222 359 26 TRP HB2 H 3.104 0.02 2 223 359 26 TRP HB3 H 3.261 0.02 2 224 359 26 TRP HD1 H 7.680 0.02 1 225 359 26 TRP HE1 H 10.387 0.02 1 226 359 26 TRP CA C 59.400 0.2 1 227 359 26 TRP CB C 26.700 0.2 1 228 359 26 TRP CD1 C 126.800 0.2 1 229 359 26 TRP N N 118.128 0.1 1 230 359 26 TRP NE1 N 130.585 0.1 1 231 360 27 ARG H H 6.248 0.02 1 232 360 27 ARG HA H 3.013 0.02 1 233 360 27 ARG HB2 H 1.098 0.02 2 234 360 27 ARG HB3 H 0.820 0.02 2 235 360 27 ARG HG2 H 0.040 0.02 2 236 360 27 ARG HG3 H 0.075 0.02 2 237 360 27 ARG HD2 H 2.797 0.02 2 238 360 27 ARG HD3 H 2.797 0.02 2 239 360 27 ARG CA C 58.952 0.2 1 240 360 27 ARG CB C 28.955 0.2 1 241 360 27 ARG CG C 26.469 0.2 1 242 360 27 ARG CD C 42.400 0.2 1 243 360 27 ARG N N 122.540 0.1 1 244 361 28 HIS H H 7.262 0.02 1 245 361 28 HIS HA H 4.390 0.02 1 246 361 28 HIS HB2 H 3.161 0.02 2 247 361 28 HIS HB3 H 3.161 0.02 2 248 361 28 HIS CA C 57.400 0.2 1 249 361 28 HIS CB C 29.820 0.2 1 250 361 28 HIS N N 120.330 0.1 1 251 362 29 LEU H H 8.428 0.02 1 252 362 29 LEU HA H 3.818 0.02 1 253 362 29 LEU HB2 H 1.862 0.02 2 254 362 29 LEU HB3 H 1.259 0.02 2 255 362 29 LEU HD1 H 0.603 0.02 2 256 362 29 LEU HD2 H 0.615 0.02 2 257 362 29 LEU CA C 57.317 0.2 1 258 362 29 LEU CB C 41.430 0.2 1 259 362 29 LEU CD1 C 25.500 0.2 1 260 362 29 LEU CD2 C 22.560 0.2 1 261 362 29 LEU N N 120.602 0.1 1 262 363 30 ALA H H 8.458 0.02 1 263 363 30 ALA HA H 3.858 0.02 1 264 363 30 ALA HB H 1.503 0.02 1 265 363 30 ALA CA C 55.239 0.2 1 266 363 30 ALA CB C 18.300 0.2 1 267 363 30 ALA N N 119.079 0.1 1 268 364 31 GLY H H 7.645 0.02 1 269 364 31 GLY CA C 46.610 0.2 1 270 364 31 GLY N N 103.410 0.1 1 271 365 32 GLU H H 7.781 0.02 1 272 365 32 GLU HA H 4.324 0.02 1 273 365 32 GLU HB2 H 2.002 0.02 2 274 365 32 GLU HB3 H 2.115 0.02 2 275 365 32 GLU HG2 H 2.283 0.02 2 276 365 32 GLU HG3 H 2.400 0.02 2 277 365 32 GLU CA C 57.269 0.2 1 278 365 32 GLU CB C 29.341 0.2 1 279 365 32 GLU CG C 35.640 0.2 1 280 365 32 GLU N N 122.343 0.1 1 281 366 33 LEU H H 7.866 0.02 1 282 366 33 LEU HA H 4.386 0.02 1 283 366 33 LEU HB2 H 1.757 0.02 2 284 366 33 LEU HB3 H 1.628 0.02 2 285 366 33 LEU HG H 1.468 0.02 1 286 366 33 LEU HD1 H 0.230 0.02 2 287 366 33 LEU HD2 H -0.280 0.02 2 288 366 33 LEU CA C 54.200 0.2 1 289 366 33 LEU CB C 41.000 0.2 1 290 366 33 LEU CG C 24.750 0.2 1 291 366 33 LEU CD1 C 19.970 0.2 1 292 366 33 LEU CD2 C 23.050 0.2 1 293 366 33 LEU N N 117.720 0.1 1 294 367 34 GLY H H 7.654 0.02 1 295 367 34 GLY HA2 H 4.040 0.02 2 296 367 34 GLY CA C 45.093 0.2 1 297 367 34 GLY N N 105.723 0.1 1 298 368 35 TYR H H 7.992 0.02 1 299 368 35 TYR HA H 4.503 0.02 1 300 368 35 TYR HB2 H 2.728 0.02 2 301 368 35 TYR HB3 H 2.948 0.02 2 302 368 35 TYR HD1 H 7.164 0.02 3 303 368 35 TYR HE1 H 6.790 0.02 3 304 368 35 TYR CA C 59.116 0.2 1 305 368 35 TYR CB C 38.346 0.2 1 306 368 35 TYR CD1 C 132.010 0.2 3 307 368 35 TYR CE1 C 117.650 0.2 3 308 368 35 TYR N N 119.660 0.1 1 309 369 36 GLN H H 9.687 0.02 1 310 369 36 GLN HB2 H 1.804 0.02 2 311 369 36 GLN HB3 H 2.474 0.02 2 312 369 36 GLN HG2 H 2.593 0.02 2 313 369 36 GLN HG3 H 2.593 0.02 2 314 369 36 GLN HE21 H 7.446 0.02 2 315 369 36 GLN HE22 H 6.885 0.02 2 316 369 36 GLN CA C 53.635 0.2 1 317 369 36 GLN CB C 27.487 0.2 1 318 369 36 GLN CG C 33.693 0.2 1 319 369 36 GLN N N 123.038 0.1 1 320 369 36 GLN NE2 N 113.225 0.1 1 321 370 37 PRO HA H 4.122 0.02 1 322 370 37 PRO HB2 H 1.973 0.02 2 323 370 37 PRO HB3 H 2.425 0.02 2 324 370 37 PRO HG2 H 2.242 0.02 2 325 370 37 PRO HG3 H 2.040 0.02 2 326 370 37 PRO HD2 H 3.850 0.02 2 327 370 37 PRO CA C 66.461 0.2 1 328 370 37 PRO CB C 31.693 0.2 1 329 370 37 PRO CG C 27.455 0.2 1 330 370 37 PRO CD C 50.159 0.2 1 331 371 38 GLU H H 9.512 0.02 1 332 371 38 GLU HA H 4.175 0.02 1 333 371 38 GLU HB2 H 1.949 0.02 2 334 371 38 GLU HB3 H 1.949 0.02 2 335 371 38 GLU HG2 H 2.100 0.02 2 336 371 38 GLU HG3 H 2.170 0.02 2 337 371 38 GLU CA C 58.905 0.2 1 338 371 38 GLU CB C 28.059 0.2 1 339 371 38 GLU CG C 35.550 0.2 1 340 371 38 GLU N N 116.210 0.1 1 341 372 39 HIS H H 7.544 0.02 1 342 372 39 HIS HA H 4.541 0.02 1 343 372 39 HIS HB2 H 3.477 0.02 2 344 372 39 HIS HB3 H 3.393 0.02 2 345 372 39 HIS CA C 57.164 0.2 1 346 372 39 HIS CB C 32.172 0.2 1 347 372 39 HIS N N 120.015 0.1 1 348 373 40 ILE H H 7.991 0.02 1 349 373 40 ILE HA H 3.799 0.02 1 350 373 40 ILE HB H 2.067 0.02 1 351 373 40 ILE HG12 H 1.826 0.02 1 352 373 40 ILE HG13 H 0.870 0.02 1 353 373 40 ILE HG2 H 0.888 0.02 1 354 373 40 ILE HD1 H 0.760 0.02 1 355 373 40 ILE CA C 65.618 0.2 1 356 373 40 ILE CB C 37.723 0.2 1 357 373 40 ILE CG1 C 29.512 0.2 1 358 373 40 ILE CG2 C 17.583 0.2 1 359 373 40 ILE CD1 C 12.817 0.2 1 360 373 40 ILE N N 120.084 0.1 1 361 374 41 ASP H H 8.123 0.02 1 362 374 41 ASP HA H 4.581 0.02 1 363 374 41 ASP HB2 H 2.726 0.02 2 364 374 41 ASP HB3 H 2.726 0.02 2 365 374 41 ASP CA C 56.877 0.2 1 366 374 41 ASP CB C 40.500 0.2 1 367 374 41 ASP N N 117.700 0.1 1 368 375 42 SER H H 7.578 0.02 1 369 375 42 SER HA H 4.271 0.02 1 370 375 42 SER HB2 H 3.824 0.02 2 371 375 42 SER HB3 H 3.824 0.02 2 372 375 42 SER CA C 61.109 0.2 1 373 375 42 SER CB C 62.318 0.2 1 374 375 42 SER N N 115.183 0.1 1 375 376 43 PHE H H 7.789 0.02 1 376 376 43 PHE HA H 4.553 0.02 1 377 376 43 PHE HB2 H 3.162 0.02 2 378 376 43 PHE HB3 H 2.920 0.02 2 379 376 43 PHE HD1 H 7.190 0.02 3 380 376 43 PHE HE1 H 6.890 0.02 3 381 376 43 PHE HZ H 7.027 0.02 1 382 376 43 PHE CA C 58.171 0.2 1 383 376 43 PHE CB C 38.166 0.2 1 384 376 43 PHE CD1 C 130.400 0.2 3 385 376 43 PHE CE1 C 130.470 0.2 3 386 376 43 PHE CZ C 128.500 0.2 1 387 376 43 PHE N N 120.100 0.1 1 388 377 44 THR H H 7.729 0.02 1 389 377 44 THR HA H 3.927 0.02 1 390 377 44 THR HB H 4.269 0.02 1 391 377 44 THR HG2 H 1.409 0.02 1 392 377 44 THR CA C 65.098 0.2 1 393 377 44 THR CB C 69.327 0.2 1 394 377 44 THR CG2 C 21.433 0.2 1 395 377 44 THR N N 110.223 0.1 1 396 378 45 HIS H H 7.560 0.02 1 397 378 45 HIS HA H 4.674 0.02 1 398 378 45 HIS HB2 H 3.394 0.02 2 399 378 45 HIS HB3 H 3.114 0.02 2 400 378 45 HIS CA C 55.407 0.2 1 401 378 45 HIS CB C 28.915 0.2 1 402 378 45 HIS N N 116.200 0.1 1 403 379 46 GLU H H 7.239 0.02 1 404 379 46 GLU HA H 4.232 0.02 1 405 379 46 GLU HB2 H 2.068 0.02 2 406 379 46 GLU HB3 H 1.646 0.02 2 407 379 46 GLU HG2 H 2.251 0.02 2 408 379 46 GLU HG3 H 2.270 0.02 2 409 379 46 GLU CA C 54.968 0.2 1 410 379 46 GLU CB C 29.600 0.2 1 411 379 46 GLU CG C 35.647 0.2 1 412 379 46 GLU N N 119.598 0.1 1 413 380 47 ALA H H 8.615 0.02 1 414 380 47 ALA HA H 4.050 0.02 1 415 380 47 ALA HB H 1.430 0.02 1 416 380 47 ALA CA C 54.353 0.2 1 417 380 47 ALA CB C 17.785 0.2 1 418 380 47 ALA N N 123.263 0.1 1 419 381 48 CYS H H 7.984 0.02 1 420 381 48 CYS HB2 H 2.626 0.02 2 421 381 48 CYS HB3 H 2.826 0.02 2 422 381 48 CYS CA C 55.050 0.2 1 423 381 48 CYS CB C 26.522 0.2 1 424 381 48 CYS N N 114.630 0.1 1 425 382 49 PRO HA H 3.550 0.02 1 426 382 49 PRO HB2 H 0.508 0.02 2 427 382 49 PRO HB3 H -0.183 0.02 2 428 382 49 PRO HG2 H 1.570 0.02 2 429 382 49 PRO HG3 H 1.755 0.02 2 430 382 49 PRO HD2 H 3.442 0.02 2 431 382 49 PRO HD3 H 3.650 0.02 2 432 382 49 PRO CA C 65.600 0.2 1 433 382 49 PRO CB C 30.200 0.2 1 434 382 49 PRO CG C 26.500 0.2 1 435 382 49 PRO CD C 50.200 0.2 1 436 383 50 VAL H H 8.277 0.02 1 437 383 50 VAL HA H 3.498 0.02 1 438 383 50 VAL HB H 2.093 0.02 1 439 383 50 VAL HG1 H 0.825 0.02 2 440 383 50 VAL HG2 H 0.947 0.02 2 441 383 50 VAL CA C 65.300 0.2 1 442 383 50 VAL CB C 30.500 0.2 1 443 383 50 VAL CG1 C 20.642 0.2 1 444 383 50 VAL CG2 C 22.871 0.2 1 445 383 50 VAL N N 114.730 0.1 1 446 384 51 ARG H H 7.175 0.02 1 447 384 51 ARG HA H 3.848 0.02 1 448 384 51 ARG HB2 H 1.810 0.02 2 449 384 51 ARG HB3 H 1.830 0.02 2 450 384 51 ARG HG2 H 1.510 0.02 2 451 384 51 ARG HG3 H 1.770 0.02 2 452 384 51 ARG HD2 H 3.170 0.02 2 453 384 51 ARG HD3 H 3.250 0.02 2 454 384 51 ARG CA C 58.860 0.2 1 455 384 51 ARG CB C 29.954 0.2 1 456 384 51 ARG CG C 26.936 0.2 1 457 384 51 ARG CD C 43.399 0.2 1 458 384 51 ARG N N 120.648 0.1 1 459 385 52 ALA H H 7.261 0.02 1 460 385 52 ALA HA H 4.080 0.02 1 461 385 52 ALA HB H 1.411 0.02 1 462 385 52 ALA CA C 54.156 0.2 1 463 385 52 ALA CB C 17.991 0.2 1 464 385 52 ALA N N 121.939 0.1 1 465 386 53 LEU H H 8.089 0.02 1 466 386 53 LEU HA H 2.927 0.02 1 467 386 53 LEU HB2 H 1.665 0.02 2 468 386 53 LEU HB3 H 0.715 0.02 2 469 386 53 LEU HG H 1.055 0.02 1 470 386 53 LEU HD1 H 0.770 0.02 2 471 386 53 LEU HD2 H 0.327 0.02 2 472 386 53 LEU CA C 57.093 0.2 1 473 386 53 LEU CB C 41.070 0.2 1 474 386 53 LEU CG C 26.820 0.2 1 475 386 53 LEU CD1 C 26.050 0.2 1 476 386 53 LEU CD2 C 23.729 0.2 1 477 386 53 LEU N N 120.970 0.1 1 478 387 54 LEU H H 8.125 0.02 1 479 387 54 LEU HA H 4.109 0.02 1 480 387 54 LEU HB2 H 1.875 0.02 2 481 387 54 LEU HB3 H 1.420 0.02 2 482 387 54 LEU HG H 1.650 0.02 1 483 387 54 LEU HD1 H 0.735 0.02 2 484 387 54 LEU HD2 H 0.365 0.02 2 485 387 54 LEU CA C 57.554 0.2 1 486 387 54 LEU CB C 40.516 0.2 1 487 387 54 LEU CG C 26.856 0.2 1 488 387 54 LEU CD1 C 25.476 0.2 1 489 387 54 LEU CD2 C 21.538 0.2 1 490 387 54 LEU N N 117.580 0.1 1 491 388 55 ALA H H 8.091 0.02 1 492 388 55 ALA HA H 4.195 0.02 1 493 388 55 ALA HB H 1.498 0.02 1 494 388 55 ALA CA C 54.459 0.2 1 495 388 55 ALA CB C 17.646 0.2 1 496 388 55 ALA N N 120.669 0.1 1 497 389 56 SER H H 7.499 0.02 1 498 389 56 SER HA H 4.447 0.02 1 499 389 56 SER HB2 H 4.290 0.02 2 500 389 56 SER HB3 H 4.290 0.02 2 501 389 56 SER CA C 60.185 0.2 1 502 389 56 SER CB C 62.911 0.2 1 503 389 56 SER N N 112.108 0.1 1 504 390 57 TRP H H 9.069 0.02 1 505 390 57 TRP HA H 4.368 0.02 1 506 390 57 TRP HB2 H 3.548 0.02 2 507 390 57 TRP HB3 H 3.307 0.02 2 508 390 57 TRP HE1 H 10.308 0.02 1 509 390 57 TRP CA C 61.155 0.2 1 510 390 57 TRP CB C 27.869 0.2 1 511 390 57 TRP N N 125.617 0.1 1 512 390 57 TRP NE1 N 130.165 0.1 1 513 391 58 ALA H H 8.398 0.02 1 514 391 58 ALA HA H 3.702 0.02 1 515 391 58 ALA HB H 1.710 0.02 1 516 391 58 ALA CA C 53.000 0.2 1 517 391 58 ALA CB C 18.826 0.2 1 518 391 58 ALA N N 114.620 0.1 1 519 392 59 THR H H 7.312 0.02 1 520 392 59 THR HA H 4.263 0.02 1 521 392 59 THR HB H 4.461 0.02 1 522 392 59 THR HG2 H 1.464 0.02 1 523 392 59 THR CA C 62.419 0.2 1 524 392 59 THR CB C 69.357 0.2 1 525 392 59 THR CG2 C 21.091 0.2 1 526 392 59 THR N N 106.581 0.1 1 527 393 60 GLN H H 7.731 0.02 1 528 393 60 GLN HA H 4.364 0.02 1 529 393 60 GLN HB2 H 2.148 0.02 2 530 393 60 GLN HB3 H 1.882 0.02 2 531 393 60 GLN HG2 H 2.556 0.02 2 532 393 60 GLN HG3 H 2.381 0.02 2 533 393 60 GLN HE21 H 7.236 0.02 2 534 393 60 GLN HE22 H 6.951 0.02 2 535 393 60 GLN CA C 55.177 0.2 1 536 393 60 GLN CB C 29.473 0.2 1 537 393 60 GLN CG C 33.985 0.2 1 538 393 60 GLN N N 121.010 0.1 1 539 393 60 GLN NE2 N 111.000 0.1 1 540 394 61 ASP H H 8.630 0.02 1 541 394 61 ASP HA H 4.307 0.02 1 542 394 61 ASP HB2 H 2.695 0.02 2 543 394 61 ASP HB3 H 2.695 0.02 2 544 394 61 ASP CA C 55.700 0.2 1 545 394 61 ASP CB C 40.139 0.2 1 546 394 61 ASP N N 121.350 0.1 1 547 395 62 SER H H 7.512 0.02 1 548 395 62 SER HA H 4.133 0.02 1 549 395 62 SER HB2 H 3.882 0.02 2 550 395 62 SER HB3 H 3.882 0.02 2 551 395 62 SER CA C 56.721 0.2 1 552 395 62 SER CB C 62.513 0.2 1 553 395 62 SER N N 108.736 0.1 1 554 396 63 ALA H H 7.138 0.02 1 555 396 63 ALA HA H 4.014 0.02 1 556 396 63 ALA HB H -0.121 0.02 1 557 396 63 ALA CA C 51.709 0.2 1 558 396 63 ALA CB C 15.916 0.2 1 559 396 63 ALA N N 127.664 0.1 1 560 397 64 THR H H 7.861 0.02 1 561 397 64 THR HA H 4.734 0.02 1 562 397 64 THR HG2 H 1.165 0.02 1 563 397 64 THR CA C 59.224 0.2 1 564 397 64 THR CB C 70.910 0.2 1 565 397 64 THR CG2 C 21.500 0.2 1 566 397 64 THR N N 115.030 0.1 1 567 398 65 LEU H H 8.872 0.02 1 568 398 65 LEU HA H 4.413 0.02 1 569 398 65 LEU HB2 H 2.042 0.02 2 570 398 65 LEU HB3 H 1.667 0.02 2 571 398 65 LEU HG H 1.798 0.02 1 572 398 65 LEU HD1 H 1.085 0.02 2 573 398 65 LEU HD2 H 1.140 0.02 2 574 398 65 LEU CA C 58.124 0.2 1 575 398 65 LEU CB C 40.883 0.2 1 576 398 65 LEU CG C 27.003 0.2 1 577 398 65 LEU CD1 C 24.819 0.2 1 578 398 65 LEU CD2 C 23.288 0.2 1 579 398 65 LEU N N 122.203 0.1 1 580 399 66 ASP H H 8.698 0.02 1 581 399 66 ASP HA H 4.391 0.02 1 582 399 66 ASP HB2 H 2.686 0.02 2 583 399 66 ASP HB3 H 2.686 0.02 2 584 399 66 ASP CA C 57.532 0.2 1 585 399 66 ASP CB C 40.474 0.2 1 586 399 66 ASP N N 116.966 0.1 1 587 400 67 ALA H H 8.261 0.02 1 588 400 67 ALA HA H 4.318 0.02 1 589 400 67 ALA HB H 1.929 0.02 1 590 400 67 ALA CA C 54.662 0.2 1 591 400 67 ALA CB C 18.172 0.2 1 592 400 67 ALA N N 123.237 0.1 1 593 401 68 LEU H H 8.061 0.02 1 594 401 68 LEU HA H 3.849 0.02 1 595 401 68 LEU HB2 H 2.217 0.02 2 596 401 68 LEU HB3 H 1.750 0.02 2 597 401 68 LEU HG H 1.364 0.02 1 598 401 68 LEU HD1 H 0.720 0.02 2 599 401 68 LEU HD2 H 0.378 0.02 2 600 401 68 LEU CA C 57.556 0.2 1 601 401 68 LEU CB C 40.962 0.2 1 602 401 68 LEU CG C 26.655 0.2 1 603 401 68 LEU CD1 C 25.800 0.2 1 604 401 68 LEU CD2 C 22.680 0.2 1 605 401 68 LEU N N 121.846 0.1 1 606 402 69 LEU H H 8.725 0.02 1 607 402 69 LEU HA H 3.899 0.02 1 608 402 69 LEU HB2 H 2.040 0.02 2 609 402 69 LEU HB3 H 1.460 0.02 2 610 402 69 LEU HG H 2.042 0.02 1 611 402 69 LEU HD1 H 0.940 0.02 2 612 402 69 LEU HD2 H 0.880 0.02 2 613 402 69 LEU CA C 57.721 0.2 1 614 402 69 LEU CB C 40.318 0.2 1 615 402 69 LEU CG C 26.328 0.2 1 616 402 69 LEU CD1 C 25.300 0.2 1 617 402 69 LEU CD2 C 22.968 0.2 1 618 402 69 LEU N N 117.731 0.1 1 619 403 70 ALA H H 8.141 0.02 1 620 403 70 ALA HA H 4.053 0.02 1 621 403 70 ALA HB H 1.530 0.02 1 622 403 70 ALA CA C 54.783 0.2 1 623 403 70 ALA CB C 17.572 0.2 1 624 403 70 ALA N N 120.019 0.1 1 625 404 71 ALA H H 7.646 0.02 1 626 404 71 ALA HA H 3.890 0.02 1 627 404 71 ALA HB H 1.324 0.02 1 628 404 71 ALA CA C 54.978 0.2 1 629 404 71 ALA CB C 18.378 0.2 1 630 404 71 ALA N N 121.270 0.1 1 631 405 72 LEU H H 8.128 0.02 1 632 405 72 LEU HA H 3.914 0.02 1 633 405 72 LEU HB2 H 1.963 0.02 2 634 405 72 LEU HB3 H 1.189 0.02 2 635 405 72 LEU HG H 1.770 0.02 1 636 405 72 LEU HD1 H 0.720 0.02 2 637 405 72 LEU HD2 H 0.750 0.02 2 638 405 72 LEU CA C 56.776 0.2 1 639 405 72 LEU CB C 41.409 0.2 1 640 405 72 LEU CG C 26.000 0.2 1 641 405 72 LEU CD1 C 25.700 0.2 1 642 405 72 LEU CD2 C 23.426 0.2 1 643 405 72 LEU N N 116.562 0.1 1 644 406 73 ARG H H 8.036 0.02 1 645 406 73 ARG HA H 3.884 0.02 1 646 406 73 ARG HB2 H 1.920 0.02 2 647 406 73 ARG HG2 H 1.498 0.02 2 648 406 73 ARG HG3 H 1.981 0.02 2 649 406 73 ARG HD2 H 3.214 0.02 2 650 406 73 ARG HD3 H 3.265 0.02 2 651 406 73 ARG HE H 6.976 0.02 1 652 406 73 ARG CA C 59.766 0.2 1 653 406 73 ARG CB C 29.391 0.2 1 654 406 73 ARG CG C 29.000 0.2 1 655 406 73 ARG CD C 42.949 0.2 1 656 406 73 ARG N N 118.370 0.1 1 657 406 73 ARG NE N 85.273 0.1 1 658 407 74 ARG H H 7.885 0.02 1 659 407 74 ARG HA H 4.146 0.02 1 660 407 74 ARG HB2 H 1.802 0.02 2 661 407 74 ARG HB3 H 2.050 0.02 2 662 407 74 ARG HG2 H 1.519 0.02 2 663 407 74 ARG HG3 H 2.070 0.02 2 664 407 74 ARG HD2 H 3.230 0.02 2 665 407 74 ARG HD3 H 3.386 0.02 2 666 407 74 ARG CA C 59.735 0.2 1 667 407 74 ARG CB C 29.985 0.2 1 668 407 74 ARG CG C 28.433 0.2 1 669 407 74 ARG CD C 43.223 0.2 1 670 407 74 ARG N N 120.166 0.1 1 671 408 75 ILE H H 7.353 0.02 1 672 408 75 ILE HA H 4.603 0.02 1 673 408 75 ILE HB H 2.179 0.02 1 674 408 75 ILE HG12 H 1.363 0.02 1 675 408 75 ILE HG13 H 1.475 0.02 1 676 408 75 ILE HG2 H 0.800 0.02 1 677 408 75 ILE HD1 H 0.785 0.02 1 678 408 75 ILE CA C 60.840 0.2 1 679 408 75 ILE CB C 36.543 0.2 1 680 408 75 ILE CG1 C 26.291 0.2 1 681 408 75 ILE CG2 C 17.575 0.2 1 682 408 75 ILE CD1 C 14.670 0.2 1 683 408 75 ILE N N 110.667 0.1 1 684 409 76 GLN H H 7.744 0.02 1 685 409 76 GLN HA H 4.012 0.02 1 686 409 76 GLN HB2 H 2.360 0.02 2 687 409 76 GLN HB3 H 2.360 0.02 2 688 409 76 GLN HG2 H 2.280 0.02 2 689 409 76 GLN HG3 H 2.330 0.02 2 690 409 76 GLN HE21 H 7.421 0.02 2 691 409 76 GLN HE22 H 6.761 0.02 2 692 409 76 GLN CA C 56.594 0.2 1 693 409 76 GLN CB C 24.903 0.2 1 694 409 76 GLN CG C 33.806 0.2 1 695 409 76 GLN N N 113.809 0.1 1 696 409 76 GLN NE2 N 112.164 0.1 1 697 410 77 ARG H H 8.083 0.02 1 698 410 77 ARG HA H 5.081 0.02 1 699 410 77 ARG HB2 H 2.040 0.02 2 700 410 77 ARG HB3 H 1.600 0.02 2 701 410 77 ARG HG2 H 1.550 0.02 2 702 410 77 ARG HG3 H 1.520 0.02 2 703 410 77 ARG HD2 H 3.391 0.02 2 704 410 77 ARG HD3 H 3.391 0.02 2 705 410 77 ARG CA C 51.126 0.2 1 706 410 77 ARG CB C 26.929 0.2 1 707 410 77 ARG CG C 24.546 0.2 1 708 410 77 ARG CD C 40.012 0.2 1 709 410 77 ARG N N 117.456 0.1 1 710 411 78 ALA H H 8.132 0.02 1 711 411 78 ALA HA H 3.930 0.02 1 712 411 78 ALA HB H 1.493 0.02 1 713 411 78 ALA CA C 54.428 0.2 1 714 411 78 ALA CB C 18.007 0.2 1 715 411 78 ALA N N 123.150 0.1 1 716 412 79 ASP H H 8.995 0.02 1 717 412 79 ASP HA H 4.310 0.02 1 718 412 79 ASP HB2 H 2.819 0.02 2 719 412 79 ASP HB3 H 2.609 0.02 2 720 412 79 ASP CA C 55.810 0.2 1 721 412 79 ASP CB C 38.466 0.2 1 722 412 79 ASP N N 116.480 0.1 1 723 413 80 LEU H H 7.520 0.02 1 724 413 80 LEU HA H 4.221 0.02 1 725 413 80 LEU HB2 H 1.997 0.02 2 726 413 80 LEU HB3 H 1.372 0.02 2 727 413 80 LEU HG H 1.757 0.02 1 728 413 80 LEU HD1 H 0.920 0.02 2 729 413 80 LEU HD2 H 0.900 0.02 2 730 413 80 LEU CA C 56.399 0.2 1 731 413 80 LEU CB C 41.702 0.2 1 732 413 80 LEU CG C 26.805 0.2 1 733 413 80 LEU CD1 C 25.233 0.2 1 734 413 80 LEU CD2 C 22.644 0.2 1 735 413 80 LEU N N 120.767 0.1 1 736 414 81 VAL H H 7.287 0.02 1 737 414 81 VAL HA H 3.550 0.02 1 738 414 81 VAL HB H 2.287 0.02 1 739 414 81 VAL HG1 H 0.989 0.02 2 740 414 81 VAL HG2 H 1.040 0.02 2 741 414 81 VAL CA C 65.989 0.2 1 742 414 81 VAL CB C 31.317 0.2 1 743 414 81 VAL CG1 C 21.344 0.2 1 744 414 81 VAL CG2 C 23.420 0.2 1 745 414 81 VAL N N 117.918 0.1 1 746 415 82 GLU H H 8.017 0.02 1 747 415 82 GLU HA H 4.020 0.02 1 748 415 82 GLU HB2 H 2.099 0.02 2 749 415 82 GLU HB3 H 2.099 0.02 2 750 415 82 GLU HG2 H 2.350 0.02 2 751 415 82 GLU HG3 H 2.290 0.02 2 752 415 82 GLU CA C 58.907 0.2 1 753 415 82 GLU CB C 28.880 0.2 1 754 415 82 GLU CG C 35.806 0.2 1 755 415 82 GLU N N 118.646 0.1 1 756 416 83 SER H H 7.718 0.02 1 757 416 83 SER HA H 4.313 0.02 1 758 416 83 SER HB2 H 3.979 0.02 2 759 416 83 SER HB3 H 3.979 0.02 2 760 416 83 SER CA C 60.967 0.2 1 761 416 83 SER CB C 62.950 0.2 1 762 416 83 SER N N 113.601 0.1 1 763 417 84 LEU H H 7.866 0.02 1 764 417 84 LEU HA H 4.249 0.02 1 765 417 84 LEU HB2 H 1.901 0.02 2 766 417 84 LEU HB3 H 1.581 0.02 2 767 417 84 LEU HG H 1.791 0.02 1 768 417 84 LEU HD1 H 0.820 0.02 2 769 417 84 LEU HD2 H 0.890 0.02 2 770 417 84 LEU CA C 56.530 0.2 1 771 417 84 LEU CB C 42.773 0.2 1 772 417 84 LEU CG C 26.914 0.2 1 773 417 84 LEU CD1 C 25.004 0.2 1 774 417 84 LEU CD2 C 24.198 0.2 1 775 417 84 LEU N N 120.719 0.1 1 776 418 85 CYS H H 7.895 0.02 1 777 418 85 CYS HA H 4.547 0.02 1 778 418 85 CYS HB2 H 3.047 0.02 2 779 418 85 CYS HB3 H 2.919 0.02 2 780 418 85 CYS CA C 59.395 0.2 1 781 418 85 CYS CB C 27.706 0.2 1 782 418 85 CYS N N 115.958 0.1 1 783 419 86 SER H H 7.874 0.02 1 784 419 86 SER HA H 4.468 0.02 1 785 419 86 SER HB2 H 3.972 0.02 2 786 419 86 SER HB3 H 3.972 0.02 2 787 419 86 SER CA C 58.500 0.2 1 788 419 86 SER CB C 63.543 0.2 1 789 419 86 SER N N 116.649 0.1 1 790 420 87 GLU H H 8.455 0.02 1 791 420 87 GLU HA H 4.398 0.02 1 792 420 87 GLU HB2 H 1.990 0.02 2 793 420 87 GLU HB3 H 2.128 0.02 2 794 420 87 GLU HG2 H 2.302 0.02 2 795 420 87 GLU HG3 H 2.302 0.02 2 796 420 87 GLU CA C 56.280 0.2 1 797 420 87 GLU CB C 29.906 0.2 1 798 420 87 GLU CG C 35.888 0.2 1 799 420 87 GLU N N 122.588 0.1 1 800 421 88 SER H H 8.347 0.02 1 801 421 88 SER HA H 4.544 0.02 1 802 421 88 SER HB2 H 3.917 0.02 2 803 421 88 SER HB3 H 3.917 0.02 2 804 421 88 SER CA C 58.123 0.2 1 805 421 88 SER CB C 63.468 0.2 1 806 421 88 SER N N 116.577 0.1 1 807 422 89 THR H H 8.170 0.02 1 808 422 89 THR HA H 4.400 0.02 1 809 422 89 THR HB H 4.299 0.02 1 810 422 89 THR HG2 H 1.236 0.02 1 811 422 89 THR CA C 61.459 0.2 1 812 422 89 THR CB C 69.302 0.2 1 813 422 89 THR CG2 C 21.253 0.2 1 814 422 89 THR N N 115.750 0.1 1 815 423 90 ALA H H 8.257 0.02 1 816 423 90 ALA HA H 4.430 0.02 1 817 423 90 ALA HB H 1.431 0.02 1 818 423 90 ALA CA C 52.251 0.2 1 819 423 90 ALA CB C 18.917 0.2 1 820 423 90 ALA N N 126.283 0.1 1 821 424 91 THR H H 8.085 0.02 1 822 424 91 THR HA H 4.379 0.02 1 823 424 91 THR HB H 4.242 0.02 1 824 424 91 THR HG2 H 1.216 0.02 1 825 424 91 THR CA C 61.184 0.2 1 826 424 91 THR CB C 69.503 0.2 1 827 424 91 THR CG2 C 21.226 0.2 1 828 424 91 THR N N 113.037 0.1 1 829 425 92 SER H H 8.236 0.02 1 830 425 92 SER HB2 H 3.848 0.02 2 831 425 92 SER HB3 H 3.917 0.02 2 832 425 92 SER CA C 55.912 0.2 1 833 425 92 SER CB C 63.141 0.2 1 834 425 92 SER N N 119.377 0.1 1 835 426 93 PRO HA H 4.520 0.02 1 836 426 93 PRO HB2 H 2.293 0.02 2 837 426 93 PRO HB3 H 2.293 0.02 2 838 426 93 PRO HG2 H 2.035 0.02 2 839 426 93 PRO HG3 H 2.035 0.02 2 840 426 93 PRO HD2 H 3.811 0.02 2 841 426 93 PRO HD3 H 3.811 0.02 2 842 426 93 PRO CA C 63.158 0.2 1 843 426 93 PRO CB C 31.588 0.2 1 844 426 93 PRO CG C 26.793 0.2 1 845 426 93 PRO CD C 50.373 0.2 1 846 427 94 VAL H H 7.632 0.02 1 847 427 94 VAL HA H 4.067 0.02 1 848 427 94 VAL HB H 2.095 0.02 1 849 427 94 VAL HG1 H 0.902 0.02 2 850 427 94 VAL HG2 H 0.933 0.02 2 851 427 94 VAL CA C 63.138 0.2 1 852 427 94 VAL CB C 33.010 0.2 1 853 427 94 VAL CG1 C 19.660 0.2 1 854 427 94 VAL CG2 C 21.234 0.2 1 855 427 94 VAL N N 123.322 0.1 1 stop_ save_