data_15777 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of IG-Like Domain 23 from Human Filamin A ; _BMRB_accession_number 15777 _BMRB_flat_file_name bmr15777.str _Entry_type original _Submission_date 2008-05-16 _Accession_date 2008-05-16 _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 Heikkinen Outi K. . 2 Kupiainen Olga . . 3 Ylanne Jari . . 4 Kilpelainen Ilkka . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 519 "13C chemical shifts" 374 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-05-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Molecular basis of filamin A-FilGAP interaction and its impairment in congenital disorders associated with filamin A mutations' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19293932 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nakamura Fumihiko . . 2 Heikkinen Outi . . 3 Pentikainen Olli . . 4 Osborn Teresia M. . 5 Kasza Karen E. . 6 Weitz David A. . 7 Kupiainen Olga . . 8 Permi Perttu . . 9 Kilpelainen Ilkka . . 10 Ylanne Jari . . 11 Hartwig John H. . 12 Stossel Thomas P. . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_volume 4 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4928 _Page_last 4928 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FLNA23 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FLNA23 $FLNA23 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_FLNA23 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FLNA23 _Molecular_mass 9989.371 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; GAMGDPGLVSAYGAGLEGGV TGNPAEFVVNTSNAGAGALS VTIDGPSKVKMDCQECPEGY RVTYTPMAPGSYLISIKYGG PYHIGGSPFKAKVTGPRLV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 ALA 3 -1 MET 4 2427 GLY 5 2428 ASP 6 2429 PRO 7 2430 GLY 8 2431 LEU 9 2432 VAL 10 2433 SER 11 2434 ALA 12 2435 TYR 13 2436 GLY 14 2437 ALA 15 2438 GLY 16 2439 LEU 17 2440 GLU 18 2441 GLY 19 2442 GLY 20 2443 VAL 21 2444 THR 22 2445 GLY 23 2446 ASN 24 2447 PRO 25 2448 ALA 26 2449 GLU 27 2450 PHE 28 2451 VAL 29 2452 VAL 30 2453 ASN 31 2454 THR 32 2455 SER 33 2456 ASN 34 2457 ALA 35 2458 GLY 36 2459 ALA 37 2460 GLY 38 2461 ALA 39 2462 LEU 40 2463 SER 41 2464 VAL 42 2465 THR 43 2466 ILE 44 2467 ASP 45 2468 GLY 46 2469 PRO 47 2470 SER 48 2471 LYS 49 2472 VAL 50 2473 LYS 51 2474 MET 52 2475 ASP 53 2476 CYS 54 2477 GLN 55 2478 GLU 56 2479 CYS 57 2480 PRO 58 2481 GLU 59 2482 GLY 60 2483 TYR 61 2484 ARG 62 2485 VAL 63 2486 THR 64 2487 TYR 65 2488 THR 66 2489 PRO 67 2490 MET 68 2491 ALA 69 2492 PRO 70 2493 GLY 71 2494 SER 72 2495 TYR 73 2496 LEU 74 2497 ILE 75 2498 SER 76 2499 ILE 77 2500 LYS 78 2501 TYR 79 2502 GLY 80 2503 GLY 81 2504 PRO 82 2505 TYR 83 2506 HIS 84 2507 ILE 85 2508 GLY 86 2509 GLY 87 2510 SER 88 2511 PRO 89 2512 PHE 90 2513 LYS 91 2514 ALA 92 2515 LYS 93 2516 VAL 94 2517 THR 95 2518 GLY 96 2519 PRO 97 2520 ARG 98 2521 LEU 99 2522 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2K3T "Solution Structure Of Ig-Like Domain 23 From Human Filamin A" 100.00 99 100.00 100.00 6.17e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FLNA23 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_type _Vector_name $FLNA23 'recombinant technology' . Escherichia coli . - - 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 $FLNA23 1 mM '[U-13C; U-15N]' 'Sodium phosphate' 20 mM 'natural abundance' 'Sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'Sodium azide' 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 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 8.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_iHNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name iHNCA _Sample_label $sample_1 save_ save_iHNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name iHNCACB _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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 'ionic strength' 150 . mM pH 6.8 . 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 water C 13 protons ppm 4.7791166 internal indirect . . . 0.25144954 water H 1 protons ppm 4.7791166 internal direct . . . 1 water N 15 protons ppm 4.7791166 internal indirect . . . 0.101329 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HN(CO)CA' '3D C(CO)NH' '3D HCCH-COSY' iHNCA iHNCACB '3D 1H-13C 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 FLNA23 _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 -3 1 GLY HA2 H 3.832 0.015 1 2 -3 1 GLY HA3 H 3.832 0.015 1 3 -3 1 GLY CA C 43.553 0.15 1 4 -2 2 ALA HA H 4.374 0.005 1 5 -2 2 ALA HB H 1.409 0.007 1 6 -2 2 ALA C C 177.865 0.15 1 7 -2 2 ALA CA C 52.670 0.081 1 8 -2 2 ALA CB C 19.508 0.032 1 9 -1 3 MET H H 8.558 0.003 1 10 -1 3 MET HA H 4.512 0.005 1 11 -1 3 MET HB2 H 2.132 0.009 2 12 -1 3 MET HB3 H 2.041 0.013 2 13 -1 3 MET HE H 2.093 0.015 1 14 -1 3 MET HG2 H 2.642 0.008 2 15 -1 3 MET HG3 H 2.564 0.009 2 16 -1 3 MET C C 176.702 0.15 1 17 -1 3 MET CA C 55.668 0.069 1 18 -1 3 MET CB C 32.873 0.102 1 19 -1 3 MET CE C 17.012 0.15 1 20 -1 3 MET CG C 32.182 0.072 1 21 -1 3 MET N N 121.055 0.032 1 22 2427 4 GLY H H 8.421 0.002 1 23 2427 4 GLY HA2 H 4.042 0.004 2 24 2427 4 GLY HA3 H 3.847 0.009 2 25 2427 4 GLY C C 172.970 0.15 1 26 2427 4 GLY CA C 45.360 0.071 1 27 2427 4 GLY N N 111.693 0.015 1 28 2428 5 ASP H H 8.300 0.002 1 29 2428 5 ASP HA H 5.082 0.002 1 30 2428 5 ASP HB2 H 2.902 0.011 2 31 2428 5 ASP HB3 H 2.579 0.006 2 32 2428 5 ASP CA C 51.517 0.087 1 33 2428 5 ASP CB C 42.244 0.042 1 34 2428 5 ASP N N 122.879 0.037 1 35 2429 6 PRO HA H 4.340 0.005 1 36 2429 6 PRO HB2 H 2.055 0.001 1 37 2429 6 PRO HB3 H 2.608 0.006 1 38 2429 6 PRO HD2 H 4.026 0.015 2 39 2429 6 PRO HD3 H 3.983 0.015 2 40 2429 6 PRO HG2 H 2.145 0.003 2 41 2429 6 PRO HG3 H 2.039 0.008 2 42 2429 6 PRO C C 178.266 0.15 1 43 2429 6 PRO CA C 64.494 0.077 1 44 2429 6 PRO CB C 31.841 0.080 1 45 2429 6 PRO CD C 51.181 0.001 1 46 2429 6 PRO CG C 27.392 0.052 1 47 2430 7 GLY H H 8.686 0.003 1 48 2430 7 GLY HA2 H 4.116 0.010 2 49 2430 7 GLY HA3 H 3.868 0.013 2 50 2430 7 GLY C C 174.567 0.15 1 51 2430 7 GLY CA C 46.038 0.045 1 52 2430 7 GLY N N 107.655 0.014 1 53 2431 8 LEU H H 7.692 0.002 1 54 2431 8 LEU HA H 4.507 0.006 1 55 2431 8 LEU HB2 H 1.577 0.007 1 56 2431 8 LEU HB3 H 1.630 0.009 1 57 2431 8 LEU HD1 H 0.845 0.008 1 58 2431 8 LEU HD2 H 0.799 0.007 1 59 2431 8 LEU HG H 1.022 0.006 1 60 2431 8 LEU C C 176.876 0.15 1 61 2431 8 LEU CA C 54.307 0.080 1 62 2431 8 LEU CB C 42.879 0.046 1 63 2431 8 LEU CD1 C 22.618 0.024 1 64 2431 8 LEU CD2 C 22.545 0.063 1 65 2431 8 LEU CG C 25.809 0.014 1 66 2431 8 LEU N N 120.022 0.030 1 67 2432 9 VAL H H 7.378 0.002 1 68 2432 9 VAL HA H 4.154 0.004 1 69 2432 9 VAL HB H 1.907 0.008 1 70 2432 9 VAL HG1 H 0.683 0.007 2 71 2432 9 VAL HG2 H 0.331 0.003 2 72 2432 9 VAL C C 174.703 0.15 1 73 2432 9 VAL CA C 62.387 0.063 1 74 2432 9 VAL CB C 32.519 0.068 1 75 2432 9 VAL CG1 C 23.348 0.048 2 76 2432 9 VAL CG2 C 23.289 0.043 2 77 2432 9 VAL N N 123.902 0.038 1 78 2433 10 SER H H 8.201 0.001 1 79 2433 10 SER HA H 5.136 0.003 1 80 2433 10 SER HB2 H 4.010 0.009 2 81 2433 10 SER HB3 H 3.926 0.010 2 82 2433 10 SER CA C 56.554 0.074 1 83 2433 10 SER CB C 66.763 0.136 1 84 2433 10 SER N N 121.921 0.040 1 85 2434 11 ALA H H 8.670 0.002 1 86 2434 11 ALA HA H 5.632 0.002 1 87 2434 11 ALA HB H 1.111 0.003 1 88 2434 11 ALA C C 175.459 0.15 1 89 2434 11 ALA CA C 50.575 0.048 1 90 2434 11 ALA CB C 23.111 0.045 1 91 2434 11 ALA N N 124.828 0.029 1 92 2435 12 TYR H H 8.609 0.002 1 93 2435 12 TYR HA H 4.879 0.004 1 94 2435 12 TYR HB2 H 3.099 0.008 1 95 2435 12 TYR HB3 H 3.099 0.008 1 96 2435 12 TYR HD1 H 7.101 0.001 3 97 2435 12 TYR HD2 H 7.101 0.001 3 98 2435 12 TYR HE1 H 6.879 0.015 3 99 2435 12 TYR HE2 H 6.879 0.015 3 100 2435 12 TYR C C 173.645 0.15 1 101 2435 12 TYR CA C 56.268 0.074 1 102 2435 12 TYR CB C 39.522 0.042 1 103 2435 12 TYR CD1 C 133.244 0.15 3 104 2435 12 TYR CE1 C 118.169 0.15 3 105 2435 12 TYR N N 118.305 0.032 1 106 2436 13 GLY H H 8.655 0.002 1 107 2436 13 GLY HA2 H 4.943 0.008 2 108 2436 13 GLY HA3 H 4.028 0.006 2 109 2436 13 GLY C C 175.334 0.15 1 110 2436 13 GLY CA C 44.389 0.060 1 111 2436 13 GLY N N 110.710 0.012 1 112 2437 14 ALA H H 8.939 0.004 1 113 2437 14 ALA HA H 4.276 0.004 1 114 2437 14 ALA HB H 1.646 0.004 1 115 2437 14 ALA C C 180.524 0.15 1 116 2437 14 ALA CA C 55.551 0.080 1 117 2437 14 ALA CB C 18.411 0.081 1 118 2437 14 ALA N N 126.973 0.047 1 119 2438 15 GLY H H 8.933 0.001 1 120 2438 15 GLY HA2 H 4.531 0.006 1 121 2438 15 GLY HA3 H 3.576 0.003 1 122 2438 15 GLY C C 174.323 0.15 1 123 2438 15 GLY CA C 46.855 0.074 1 124 2438 15 GLY N N 104.803 0.012 1 125 2439 16 LEU H H 7.529 0.002 1 126 2439 16 LEU HA H 3.768 0.004 1 127 2439 16 LEU HB2 H 1.442 0.006 2 128 2439 16 LEU HB3 H 1.057 0.003 2 129 2439 16 LEU HD1 H -0.077 0.004 1 130 2439 16 LEU HD2 H -0.931 0.003 1 131 2439 16 LEU HG H 0.726 0.005 1 132 2439 16 LEU C C 176.388 0.15 1 133 2439 16 LEU CA C 56.137 0.074 1 134 2439 16 LEU CB C 41.621 0.079 1 135 2439 16 LEU CD1 C 23.856 0.067 1 136 2439 16 LEU CD2 C 20.357 0.064 1 137 2439 16 LEU CG C 26.287 0.160 1 138 2439 16 LEU N N 119.633 0.022 1 139 2440 17 GLU H H 7.505 0.002 1 140 2440 17 GLU HA H 4.663 0.006 1 141 2440 17 GLU HB2 H 2.278 0.013 2 142 2440 17 GLU HB3 H 2.173 0.003 2 143 2440 17 GLU HG2 H 2.370 0.008 1 144 2440 17 GLU HG3 H 2.370 0.008 1 145 2440 17 GLU C C 178.126 0.15 1 146 2440 17 GLU CA C 56.447 0.074 1 147 2440 17 GLU CB C 31.485 0.081 1 148 2440 17 GLU CG C 36.723 0.028 1 149 2440 17 GLU N N 114.368 0.029 1 150 2441 18 GLY H H 7.921 0.003 1 151 2441 18 GLY HA2 H 4.889 0.015 2 152 2441 18 GLY HA3 H 3.707 0.015 2 153 2441 18 GLY C C 170.965 0.15 1 154 2441 18 GLY CA C 45.549 0.028 1 155 2441 18 GLY N N 109.165 0.017 1 156 2442 19 GLY H H 7.540 0.002 1 157 2442 19 GLY HA2 H 4.086 0.015 1 158 2442 19 GLY HA3 H 4.086 0.015 1 159 2442 19 GLY C C 171.051 0.15 1 160 2442 19 GLY CA C 44.937 0.035 1 161 2442 19 GLY N N 105.460 0.018 1 162 2443 20 VAL H H 8.899 0.001 1 163 2443 20 VAL HA H 5.062 0.002 1 164 2443 20 VAL HB H 1.804 0.003 1 165 2443 20 VAL HG1 H 0.866 0.005 1 166 2443 20 VAL HG2 H 1.015 0.008 1 167 2443 20 VAL C C 176.623 0.15 1 168 2443 20 VAL CA C 60.197 0.063 1 169 2443 20 VAL CB C 35.107 0.058 1 170 2443 20 VAL CG1 C 21.140 0.065 1 171 2443 20 VAL CG2 C 21.104 0.033 1 172 2443 20 VAL N N 122.753 0.024 1 173 2444 21 THR H H 8.630 0.002 1 174 2444 21 THR HA H 3.773 0.008 1 175 2444 21 THR HB H 3.916 0.004 1 176 2444 21 THR HG2 H 0.714 0.004 1 177 2444 21 THR C C 175.646 0.15 1 178 2444 21 THR CA C 62.732 0.068 1 179 2444 21 THR CB C 68.925 0.091 1 180 2444 21 THR CG2 C 23.899 0.096 1 181 2444 21 THR N N 118.179 0.026 1 182 2445 22 GLY H H 8.736 0.002 1 183 2445 22 GLY HA2 H 3.412 0.015 1 184 2445 22 GLY HA3 H 4.061 0.015 1 185 2445 22 GLY C C 172.973 0.15 1 186 2445 22 GLY CA C 45.577 0.034 1 187 2445 22 GLY N N 107.888 0.013 1 188 2446 23 ASN H H 7.877 0.001 1 189 2446 23 ASN HA H 5.253 0.002 1 190 2446 23 ASN HB2 H 2.755 0.004 2 191 2446 23 ASN HB3 H 2.595 0.003 2 192 2446 23 ASN HD21 H 7.075 0.015 2 193 2446 23 ASN HD22 H 6.937 0.015 2 194 2446 23 ASN CA C 49.740 0.073 1 195 2446 23 ASN CB C 40.198 0.055 1 196 2446 23 ASN N N 120.684 0.022 1 197 2446 23 ASN ND2 N 113.899 0.15 1 198 2447 24 PRO HA H 4.525 0.011 1 199 2447 24 PRO HB2 H 1.877 0.012 2 200 2447 24 PRO HB3 H 1.684 0.008 2 201 2447 24 PRO HD2 H 3.665 0.004 1 202 2447 24 PRO HD3 H 3.757 0.005 1 203 2447 24 PRO HG2 H 2.056 0.008 2 204 2447 24 PRO HG3 H 1.930 0.001 2 205 2447 24 PRO CA C 62.766 0.076 1 206 2447 24 PRO CB C 31.732 0.090 1 207 2447 24 PRO CD C 50.416 0.004 1 208 2447 24 PRO CG C 27.437 0.051 1 209 2448 25 ALA H H 9.178 0.010 1 210 2448 25 ALA HA H 4.614 0.006 1 211 2448 25 ALA HB H 0.723 0.003 1 212 2448 25 ALA C C 175.503 0.15 1 213 2448 25 ALA CA C 50.526 0.050 1 214 2448 25 ALA CB C 20.458 0.091 1 215 2448 25 ALA N N 132.079 0.054 1 216 2449 26 GLU H H 8.813 0.003 1 217 2449 26 GLU HA H 5.830 0.002 1 218 2449 26 GLU HB2 H 2.098 0.010 2 219 2449 26 GLU HB3 H 1.870 0.007 2 220 2449 26 GLU HG2 H 2.094 0.006 1 221 2449 26 GLU HG3 H 2.094 0.006 1 222 2449 26 GLU C C 176.272 0.15 1 223 2449 26 GLU CA C 54.376 0.073 1 224 2449 26 GLU CB C 35.463 0.154 1 225 2449 26 GLU CG C 36.657 0.049 1 226 2449 26 GLU N N 120.079 0.036 1 227 2450 27 PHE H H 8.782 0.001 1 228 2450 27 PHE HA H 5.021 0.004 1 229 2450 27 PHE HB2 H 2.817 0.011 1 230 2450 27 PHE HB3 H 2.817 0.011 1 231 2450 27 PHE HD1 H 6.575 0.001 3 232 2450 27 PHE HD2 H 6.575 0.001 3 233 2450 27 PHE HE1 H 6.841 0.015 3 234 2450 27 PHE HE2 H 6.841 0.015 3 235 2450 27 PHE HZ H 6.745 0.015 1 236 2450 27 PHE C C 171.205 0.15 1 237 2450 27 PHE CA C 56.852 0.070 1 238 2450 27 PHE CB C 41.080 0.090 1 239 2450 27 PHE CD1 C 132.029 0.15 3 240 2450 27 PHE CE1 C 130.235 0.15 3 241 2450 27 PHE CZ C 128.814 0.15 1 242 2450 27 PHE N N 118.670 0.019 1 243 2451 28 VAL H H 8.961 0.001 1 244 2451 28 VAL HA H 4.761 0.003 1 245 2451 28 VAL HB H 1.201 0.004 1 246 2451 28 VAL HG1 H 0.820 0.007 2 247 2451 28 VAL HG2 H 0.616 0.007 2 248 2451 28 VAL C C 174.673 0.15 1 249 2451 28 VAL CA C 60.619 0.050 1 250 2451 28 VAL CB C 35.484 0.067 1 251 2451 28 VAL CG1 C 22.035 0.064 2 252 2451 28 VAL CG2 C 20.806 0.046 2 253 2451 28 VAL N N 121.552 0.030 1 254 2452 29 VAL H H 9.294 0.004 1 255 2452 29 VAL HA H 4.363 0.003 1 256 2452 29 VAL HB H 2.117 0.007 1 257 2452 29 VAL HG1 H 0.816 0.009 1 258 2452 29 VAL HG2 H 1.011 0.003 1 259 2452 29 VAL C C 174.218 0.15 1 260 2452 29 VAL CA C 61.526 0.046 1 261 2452 29 VAL CB C 32.666 0.108 1 262 2452 29 VAL CG1 C 22.153 0.080 1 263 2452 29 VAL CG2 C 21.404 0.037 1 264 2452 29 VAL N N 125.585 0.038 1 265 2453 30 ASN H H 9.465 0.002 1 266 2453 30 ASN HA H 5.096 0.006 1 267 2453 30 ASN HB2 H 2.570 0.004 1 268 2453 30 ASN HB3 H 3.575 0.004 1 269 2453 30 ASN HD21 H 7.828 0.015 2 270 2453 30 ASN HD22 H 7.272 0.015 2 271 2453 30 ASN C C 176.216 0.15 1 272 2453 30 ASN CA C 52.011 0.060 1 273 2453 30 ASN CB C 39.057 0.077 1 274 2453 30 ASN N N 127.724 0.044 1 275 2453 30 ASN ND2 N 114.401 0.006 1 276 2454 31 THR H H 8.915 0.001 1 277 2454 31 THR HA H 4.342 0.004 1 278 2454 31 THR HB H 4.627 0.005 1 279 2454 31 THR HG2 H 1.011 0.003 1 280 2454 31 THR C C 176.816 0.15 1 281 2454 31 THR CA C 61.117 0.050 1 282 2454 31 THR CB C 68.209 0.091 1 283 2454 31 THR CG2 C 22.853 0.032 1 284 2454 31 THR N N 117.783 0.029 1 285 2455 32 SER H H 8.454 0.002 1 286 2455 32 SER HA H 4.155 0.005 1 287 2455 32 SER HB2 H 4.014 0.011 2 288 2455 32 SER HB3 H 3.953 0.011 2 289 2455 32 SER C C 175.458 0.15 1 290 2455 32 SER CA C 62.148 0.123 1 291 2455 32 SER CB C 63.476 0.088 1 292 2455 32 SER N N 121.781 0.033 1 293 2456 33 ASN H H 8.845 0.003 1 294 2456 33 ASN HA H 5.064 0.001 1 295 2456 33 ASN HB2 H 2.637 0.003 1 296 2456 33 ASN HB3 H 2.984 0.004 1 297 2456 33 ASN HD21 H 7.560 0.015 2 298 2456 33 ASN HD22 H 6.951 0.015 2 299 2456 33 ASN C C 174.674 0.15 1 300 2456 33 ASN CA C 53.067 0.075 1 301 2456 33 ASN CB C 39.632 0.075 1 302 2456 33 ASN N N 120.176 0.026 1 303 2456 33 ASN ND2 N 114.772 0.15 1 304 2457 34 ALA H H 7.714 0.002 1 305 2457 34 ALA HA H 4.482 0.005 1 306 2457 34 ALA HB H 1.256 0.003 1 307 2457 34 ALA C C 177.582 0.15 1 308 2457 34 ALA CA C 52.521 0.038 1 309 2457 34 ALA CB C 22.252 0.061 1 310 2457 34 ALA N N 123.065 0.027 1 311 2458 35 GLY H H 8.195 0.002 1 312 2458 35 GLY HA2 H 4.246 0.004 2 313 2458 35 GLY HA3 H 3.902 0.014 2 314 2458 35 GLY C C 173.360 0.15 1 315 2458 35 GLY CA C 44.486 0.077 1 316 2458 35 GLY N N 108.472 0.015 1 317 2459 36 ALA H H 8.430 0.002 1 318 2459 36 ALA HA H 4.472 0.009 1 319 2459 36 ALA HB H 1.383 0.010 1 320 2459 36 ALA C C 176.968 0.15 1 321 2459 36 ALA CA C 52.695 0.099 1 322 2459 36 ALA CB C 19.360 0.060 1 323 2459 36 ALA N N 126.012 0.044 1 324 2460 37 GLY H H 7.781 0.002 1 325 2460 37 GLY HA2 H 3.856 0.015 2 326 2460 37 GLY HA3 H 3.164 0.015 2 327 2460 37 GLY C C 170.730 0.15 1 328 2460 37 GLY CA C 44.747 0.036 1 329 2460 37 GLY N N 109.493 0.021 1 330 2461 38 ALA H H 8.055 0.002 1 331 2461 38 ALA HA H 4.389 0.005 1 332 2461 38 ALA HB H 1.181 0.004 1 333 2461 38 ALA C C 176.609 0.15 1 334 2461 38 ALA CA C 51.419 0.063 1 335 2461 38 ALA CB C 19.665 0.077 1 336 2461 38 ALA N N 121.997 0.029 1 337 2462 39 LEU H H 8.597 0.003 1 338 2462 39 LEU HA H 5.022 0.002 1 339 2462 39 LEU HB2 H 1.500 0.005 2 340 2462 39 LEU HB3 H 1.126 0.003 2 341 2462 39 LEU HD1 H 0.926 0.003 2 342 2462 39 LEU HD2 H 0.348 0.003 2 343 2462 39 LEU HG H 1.314 0.005 1 344 2462 39 LEU C C 175.883 0.15 1 345 2462 39 LEU CA C 53.907 0.080 1 346 2462 39 LEU CB C 44.576 0.117 1 347 2462 39 LEU CD1 C 24.857 0.053 2 348 2462 39 LEU CD2 C 26.077 0.051 2 349 2462 39 LEU CG C 27.423 0.110 1 350 2462 39 LEU N N 126.664 0.031 1 351 2463 40 SER H H 8.898 0.002 1 352 2463 40 SER HA H 4.732 0.015 1 353 2463 40 SER HB2 H 3.588 0.004 1 354 2463 40 SER HB3 H 3.588 0.004 1 355 2463 40 SER C C 172.984 0.15 1 356 2463 40 SER CA C 56.730 0.027 1 357 2463 40 SER CB C 64.648 0.091 1 358 2463 40 SER N N 122.932 0.052 1 359 2464 41 VAL H H 8.538 0.002 1 360 2464 41 VAL HA H 5.131 0.008 1 361 2464 41 VAL HB H 1.902 0.006 1 362 2464 41 VAL HG1 H 0.911 0.008 2 363 2464 41 VAL HG2 H 0.909 0.015 2 364 2464 41 VAL C C 174.812 0.15 1 365 2464 41 VAL CA C 60.784 0.059 1 366 2464 41 VAL CB C 34.262 0.080 1 367 2464 41 VAL CG1 C 21.482 0.023 2 368 2464 41 VAL N N 129.161 0.038 1 369 2465 42 THR H H 8.807 0.003 1 370 2465 42 THR HA H 4.573 0.010 1 371 2465 42 THR HB H 4.075 0.005 1 372 2465 42 THR HG2 H 1.138 0.003 1 373 2465 42 THR CA C 60.408 0.069 1 374 2465 42 THR CB C 71.764 0.094 1 375 2465 42 THR CG2 C 21.962 0.103 1 376 2465 42 THR N N 120.898 0.048 1 377 2466 43 ILE H H 8.648 0.003 1 378 2466 43 ILE HA H 4.854 0.011 1 379 2466 43 ILE HB H 1.544 0.004 1 380 2466 43 ILE HD1 H 0.156 0.004 1 381 2466 43 ILE HG12 H 0.745 0.006 1 382 2466 43 ILE HG13 H 1.377 0.002 1 383 2466 43 ILE HG2 H 0.526 0.003 1 384 2466 43 ILE C C 174.073 0.15 1 385 2466 43 ILE CA C 61.184 0.073 1 386 2466 43 ILE CB C 39.516 0.085 1 387 2466 43 ILE CD1 C 13.388 0.063 1 388 2466 43 ILE CG1 C 27.603 0.100 1 389 2466 43 ILE CG2 C 17.131 0.083 1 390 2466 43 ILE N N 124.810 0.044 1 391 2467 44 ASP H H 8.821 0.001 1 392 2467 44 ASP HA H 5.217 0.003 1 393 2467 44 ASP HB2 H 2.723 0.003 2 394 2467 44 ASP HB3 H 2.520 0.003 2 395 2467 44 ASP C C 175.002 0.15 1 396 2467 44 ASP CA C 52.998 0.096 1 397 2467 44 ASP CB C 44.728 0.069 1 398 2467 44 ASP N N 129.093 0.051 1 399 2468 45 GLY H H 8.535 0.001 1 400 2468 45 GLY HA2 H 3.954 0.015 2 401 2468 45 GLY HA3 H 3.561 0.015 2 402 2468 45 GLY CA C 45.659 0.014 1 403 2468 45 GLY N N 112.751 0.015 1 404 2469 46 PRO HA H 4.318 0.006 1 405 2469 46 PRO HB2 H 2.254 0.012 1 406 2469 46 PRO HB3 H 1.867 0.005 1 407 2469 46 PRO HD2 H 2.972 0.004 2 408 2469 46 PRO HD3 H 1.850 0.002 2 409 2469 46 PRO HG2 H 1.603 0.008 2 410 2469 46 PRO HG3 H 1.849 0.005 2 411 2469 46 PRO C C 176.086 0.15 1 412 2469 46 PRO CA C 64.198 0.084 1 413 2469 46 PRO CB C 32.348 0.074 1 414 2469 46 PRO CD C 49.480 0.064 1 415 2469 46 PRO CG C 26.906 0.079 1 416 2470 47 SER H H 7.106 0.002 1 417 2470 47 SER HA H 4.632 0.006 1 418 2470 47 SER HB2 H 3.800 0.004 1 419 2470 47 SER HB3 H 3.800 0.004 1 420 2470 47 SER C C 172.969 0.15 1 421 2470 47 SER CA C 57.106 0.079 1 422 2470 47 SER CB C 66.262 0.100 1 423 2470 47 SER N N 110.556 0.020 1 424 2471 48 LYS H H 8.534 0.005 1 425 2471 48 LYS HA H 4.486 0.006 1 426 2471 48 LYS HB2 H 1.863 0.004 1 427 2471 48 LYS HB3 H 1.863 0.004 1 428 2471 48 LYS HD2 H 1.764 0.005 1 429 2471 48 LYS HD3 H 1.764 0.005 1 430 2471 48 LYS HE2 H 3.068 0.003 1 431 2471 48 LYS HE3 H 3.068 0.003 1 432 2471 48 LYS HG2 H 1.550 0.006 1 433 2471 48 LYS HG3 H 1.550 0.006 1 434 2471 48 LYS C C 177.231 0.15 1 435 2471 48 LYS CA C 56.620 0.126 1 436 2471 48 LYS CB C 32.379 0.071 1 437 2471 48 LYS CD C 29.247 0.098 1 438 2471 48 LYS CE C 42.295 0.034 1 439 2471 48 LYS CG C 24.966 0.051 1 440 2471 48 LYS N N 124.055 0.040 1 441 2472 49 VAL H H 8.497 0.006 1 442 2472 49 VAL HA H 4.552 0.009 1 443 2472 49 VAL HB H 2.017 0.007 1 444 2472 49 VAL HG1 H 0.941 0.003 1 445 2472 49 VAL HG2 H 0.849 0.003 1 446 2472 49 VAL C C 175.292 0.15 1 447 2472 49 VAL CA C 60.142 0.071 1 448 2472 49 VAL CB C 33.464 0.038 1 449 2472 49 VAL CG1 C 22.963 0.050 1 450 2472 49 VAL CG2 C 20.510 0.054 1 451 2472 49 VAL N N 121.233 0.057 1 452 2473 50 LYS H H 8.190 0.003 1 453 2473 50 LYS HA H 4.522 0.015 1 454 2473 50 LYS HB2 H 1.817 0.015 1 455 2473 50 LYS HB3 H 1.817 0.015 1 456 2473 50 LYS CA C 55.952 0.016 1 457 2473 50 LYS CB C 32.896 0.063 1 458 2473 50 LYS N N 126.082 0.045 1 459 2474 51 MET H H 8.818 0.005 1 460 2474 51 MET HA H 5.324 0.002 1 461 2474 51 MET HB2 H 1.990 0.003 2 462 2474 51 MET HB3 H 1.836 0.006 2 463 2474 51 MET HE H 1.955 0.015 1 464 2474 51 MET HG2 H 2.301 0.002 1 465 2474 51 MET HG3 H 2.301 0.002 1 466 2474 51 MET C C 173.933 0.15 1 467 2474 51 MET CA C 54.848 0.094 1 468 2474 51 MET CB C 37.043 0.066 1 469 2474 51 MET CE C 17.129 0.15 1 470 2474 51 MET CG C 31.832 0.082 1 471 2474 51 MET N N 126.911 0.056 1 472 2475 52 ASP H H 9.095 0.003 1 473 2475 52 ASP HA H 4.947 0.002 1 474 2475 52 ASP HB2 H 2.627 0.003 2 475 2475 52 ASP HB3 H 2.524 0.021 2 476 2475 52 ASP C C 173.923 0.15 1 477 2475 52 ASP CA C 53.487 0.064 1 478 2475 52 ASP CB C 44.765 0.055 1 479 2475 52 ASP N N 125.526 0.042 1 480 2476 53 CYS H H 8.606 0.002 1 481 2476 53 CYS HA H 5.145 0.004 1 482 2476 53 CYS HB2 H 2.830 0.004 2 483 2476 53 CYS HB3 H 2.616 0.003 2 484 2476 53 CYS C C 173.330 0.15 1 485 2476 53 CYS CA C 57.452 0.060 1 486 2476 53 CYS CB C 28.108 0.097 1 487 2476 53 CYS N N 124.317 0.033 1 488 2477 54 GLN H H 8.978 0.002 1 489 2477 54 GLN HA H 4.884 0.003 1 490 2477 54 GLN HB2 H 2.218 0.015 2 491 2477 54 GLN HB3 H 1.915 0.015 2 492 2477 54 GLN HE21 H 8.025 0.015 2 493 2477 54 GLN HE22 H 6.807 0.015 2 494 2477 54 GLN HG2 H 2.385 0.015 1 495 2477 54 GLN HG3 H 2.385 0.015 1 496 2477 54 GLN C C 174.854 0.15 1 497 2477 54 GLN CA C 53.891 0.104 1 498 2477 54 GLN CB C 32.837 0.060 1 499 2477 54 GLN CG C 33.481 0.15 1 500 2477 54 GLN N N 127.074 0.035 1 501 2477 54 GLN NE2 N 114.844 0.006 1 502 2478 55 GLU H H 9.065 0.013 1 503 2478 55 GLU HA H 4.280 0.005 1 504 2478 55 GLU HB2 H 1.932 0.004 1 505 2478 55 GLU HB3 H 1.932 0.004 1 506 2478 55 GLU HG2 H 2.304 0.006 2 507 2478 55 GLU HG3 H 2.151 0.013 2 508 2478 55 GLU C C 175.383 0.15 1 509 2478 55 GLU CA C 57.516 0.067 1 510 2478 55 GLU CB C 30.346 0.142 1 511 2478 55 GLU CG C 37.087 0.033 1 512 2478 55 GLU N N 125.186 0.066 1 513 2479 56 CYS H H 8.407 0.001 1 514 2479 56 CYS HA H 5.056 0.002 1 515 2479 56 CYS HB2 H 3.283 0.005 2 516 2479 56 CYS HB3 H 2.831 0.005 2 517 2479 56 CYS CA C 55.858 0.082 1 518 2479 56 CYS CB C 28.676 0.051 1 519 2479 56 CYS N N 121.499 0.028 1 520 2480 57 PRO HA H 4.159 0.004 1 521 2480 57 PRO HB2 H 2.377 0.006 2 522 2480 57 PRO HB3 H 1.862 0.010 2 523 2480 57 PRO HD2 H 3.801 0.010 2 524 2480 57 PRO HD3 H 3.701 0.007 2 525 2480 57 PRO HG2 H 2.185 0.005 2 526 2480 57 PRO HG3 H 1.956 0.008 2 527 2480 57 PRO C C 177.964 0.15 1 528 2480 57 PRO CA C 66.877 0.099 1 529 2480 57 PRO CB C 31.709 0.071 1 530 2480 57 PRO CD C 50.478 0.088 1 531 2480 57 PRO CG C 28.286 0.057 1 532 2481 58 GLU H H 8.900 0.002 1 533 2481 58 GLU HA H 4.201 0.005 1 534 2481 58 GLU HB2 H 2.008 0.011 1 535 2481 58 GLU HB3 H 2.008 0.011 1 536 2481 58 GLU HG2 H 2.258 0.003 1 537 2481 58 GLU HG3 H 2.258 0.003 1 538 2481 58 GLU C C 175.129 0.15 1 539 2481 58 GLU CA C 57.883 0.063 1 540 2481 58 GLU CB C 29.991 0.084 1 541 2481 58 GLU CG C 37.093 0.055 1 542 2481 58 GLU N N 115.316 0.021 1 543 2482 59 GLY H H 7.527 0.002 1 544 2482 59 GLY HA2 H 4.935 0.002 2 545 2482 59 GLY HA3 H 3.381 0.005 2 546 2482 59 GLY CA C 47.809 0.084 1 547 2482 59 GLY N N 110.079 0.016 1 548 2483 60 TYR H H 8.990 0.002 1 549 2483 60 TYR HA H 5.157 0.007 1 550 2483 60 TYR HB2 H 2.330 0.004 1 551 2483 60 TYR HB3 H 2.783 0.005 1 552 2483 60 TYR HD1 H 6.802 0.003 3 553 2483 60 TYR HD2 H 6.802 0.003 3 554 2483 60 TYR C C 175.096 0.15 1 555 2483 60 TYR CA C 57.375 0.050 1 556 2483 60 TYR CB C 43.153 0.067 1 557 2483 60 TYR CD1 C 133.138 0.15 3 558 2483 60 TYR N N 125.900 0.034 1 559 2484 61 ARG H H 9.557 0.002 1 560 2484 61 ARG HA H 4.858 0.006 1 561 2484 61 ARG HB2 H 1.697 0.011 1 562 2484 61 ARG HB3 H 1.697 0.011 1 563 2484 61 ARG HD2 H 3.139 0.007 2 564 2484 61 ARG HD3 H 3.071 0.011 2 565 2484 61 ARG HG2 H 1.471 0.007 2 566 2484 61 ARG HG3 H 1.251 0.005 2 567 2484 61 ARG CA C 55.016 0.062 1 568 2484 61 ARG CB C 32.128 0.053 1 569 2484 61 ARG CD C 43.070 0.075 1 570 2484 61 ARG CG C 27.839 0.116 1 571 2484 61 ARG N N 124.847 0.027 1 572 2485 62 VAL H H 9.046 0.002 1 573 2485 62 VAL HA H 4.675 0.004 1 574 2485 62 VAL HB H 0.110 0.003 1 575 2485 62 VAL HG1 H 0.572 0.005 2 576 2485 62 VAL HG2 H 0.580 0.006 2 577 2485 62 VAL C C 173.837 0.15 1 578 2485 62 VAL CA C 60.752 0.070 1 579 2485 62 VAL CB C 32.459 0.085 1 580 2485 62 VAL CG1 C 22.003 0.142 2 581 2485 62 VAL CG2 C 21.196 0.086 2 582 2485 62 VAL N N 132.205 0.056 1 583 2486 63 THR H H 8.474 0.013 1 584 2486 63 THR HA H 5.392 0.001 1 585 2486 63 THR HB H 3.841 0.004 1 586 2486 63 THR HG2 H 1.082 0.004 1 587 2486 63 THR C C 173.675 0.15 1 588 2486 63 THR CA C 60.008 0.067 1 589 2486 63 THR CB C 71.035 0.084 1 590 2486 63 THR CG2 C 21.818 0.126 1 591 2486 63 THR N N 121.216 0.025 1 592 2487 64 TYR H H 9.409 0.001 1 593 2487 64 TYR HA H 5.617 0.002 1 594 2487 64 TYR HB2 H 2.622 0.004 1 595 2487 64 TYR HB3 H 2.622 0.004 1 596 2487 64 TYR HD1 H 6.457 0.002 3 597 2487 64 TYR HD2 H 6.457 0.002 3 598 2487 64 TYR HE1 H 6.085 0.015 3 599 2487 64 TYR HE2 H 6.085 0.015 3 600 2487 64 TYR C C 172.847 0.15 1 601 2487 64 TYR CA C 55.557 0.069 1 602 2487 64 TYR CB C 41.968 0.070 1 603 2487 64 TYR CD1 C 132.495 0.15 3 604 2487 64 TYR CE1 C 116.415 0.15 3 605 2487 64 TYR N N 124.061 0.029 1 606 2488 65 THR H H 8.145 0.001 1 607 2488 65 THR HA H 4.959 0.002 1 608 2488 65 THR HB H 3.920 0.004 1 609 2488 65 THR HG2 H 0.774 0.005 1 610 2488 65 THR CA C 58.532 0.076 1 611 2488 65 THR CB C 70.141 0.089 1 612 2488 65 THR CG2 C 20.587 0.033 1 613 2488 65 THR N N 117.924 0.019 1 614 2489 66 PRO HA H 4.602 0.007 1 615 2489 66 PRO HB2 H 1.717 0.008 1 616 2489 66 PRO HB3 H 1.410 0.007 1 617 2489 66 PRO HD2 H 4.242 0.004 1 618 2489 66 PRO HD3 H 3.403 0.016 1 619 2489 66 PRO HG2 H 1.970 0.006 1 620 2489 66 PRO HG3 H 1.668 0.008 1 621 2489 66 PRO C C 176.647 0.15 1 622 2489 66 PRO CA C 61.442 0.086 1 623 2489 66 PRO CB C 32.715 0.057 1 624 2489 66 PRO CD C 50.515 0.075 1 625 2489 66 PRO CG C 27.015 0.054 1 626 2490 67 MET H H 8.832 0.001 1 627 2490 67 MET HA H 4.880 0.004 1 628 2490 67 MET HB2 H 2.290 0.008 2 629 2490 67 MET HB3 H 1.925 0.006 2 630 2490 67 MET HE H 2.052 0.015 1 631 2490 67 MET HG2 H 2.508 0.005 1 632 2490 67 MET HG3 H 2.742 0.004 1 633 2490 67 MET C C 174.121 0.15 1 634 2490 67 MET CA C 53.848 0.037 1 635 2490 67 MET CB C 33.727 0.122 1 636 2490 67 MET CE C 17.734 0.15 1 637 2490 67 MET CG C 32.515 0.060 1 638 2490 67 MET N N 119.212 0.018 1 639 2491 68 ALA H H 7.086 0.005 1 640 2491 68 ALA HA H 4.851 0.005 1 641 2491 68 ALA HB H 1.361 0.003 1 642 2491 68 ALA CA C 49.222 0.050 1 643 2491 68 ALA CB C 20.600 0.050 1 644 2491 68 ALA N N 120.363 0.040 1 645 2492 69 PRO HA H 4.263 0.004 1 646 2492 69 PRO HB2 H 2.377 0.007 2 647 2492 69 PRO HB3 H 2.202 0.012 2 648 2492 69 PRO HD2 H 3.707 0.010 2 649 2492 69 PRO HD3 H 3.391 0.005 2 650 2492 69 PRO HG2 H 2.280 0.007 2 651 2492 69 PRO HG3 H 2.024 0.011 2 652 2492 69 PRO C C 174.370 0.15 1 653 2492 69 PRO CA C 62.555 0.075 1 654 2492 69 PRO CB C 32.752 0.095 1 655 2492 69 PRO CD C 50.542 0.071 1 656 2492 69 PRO CG C 27.011 0.040 1 657 2493 70 GLY H H 8.858 0.002 1 658 2493 70 GLY HA2 H 4.544 0.006 2 659 2493 70 GLY HA3 H 3.849 0.011 2 660 2493 70 GLY C C 172.182 0.15 1 661 2493 70 GLY CA C 44.356 0.069 1 662 2493 70 GLY N N 106.539 0.016 1 663 2494 71 SER H H 8.490 0.002 1 664 2494 71 SER HA H 5.280 0.001 1 665 2494 71 SER HB2 H 3.681 0.003 1 666 2494 71 SER HB3 H 3.681 0.003 1 667 2494 71 SER C C 173.512 0.15 1 668 2494 71 SER CA C 57.674 0.053 1 669 2494 71 SER CB C 63.799 0.071 1 670 2494 71 SER N N 117.964 0.024 1 671 2495 72 TYR H H 9.320 0.002 1 672 2495 72 TYR HA H 4.960 0.003 1 673 2495 72 TYR HB2 H 2.754 0.004 1 674 2495 72 TYR HB3 H 2.404 0.004 1 675 2495 72 TYR HD1 H 6.984 0.017 3 676 2495 72 TYR HD2 H 6.984 0.017 3 677 2495 72 TYR HE1 H 6.825 0.005 3 678 2495 72 TYR HE2 H 6.825 0.005 3 679 2495 72 TYR C C 173.979 0.15 1 680 2495 72 TYR CA C 56.384 0.058 1 681 2495 72 TYR CB C 40.247 0.066 1 682 2495 72 TYR CD1 C 133.732 0.15 3 683 2495 72 TYR CE1 C 116.671 0.15 3 684 2495 72 TYR N N 126.442 0.039 1 685 2496 73 LEU H H 9.019 0.003 1 686 2496 73 LEU HA H 5.209 0.004 1 687 2496 73 LEU HB2 H 1.641 0.010 2 688 2496 73 LEU HB3 H 1.563 0.005 2 689 2496 73 LEU HD1 H 0.823 0.004 2 690 2496 73 LEU HD2 H 0.818 0.003 2 691 2496 73 LEU HG H 1.490 0.011 1 692 2496 73 LEU C C 177.015 0.15 1 693 2496 73 LEU CA C 53.393 0.080 1 694 2496 73 LEU CB C 43.918 0.025 1 695 2496 73 LEU CD1 C 24.946 0.078 2 696 2496 73 LEU CD2 C 24.731 0.067 2 697 2496 73 LEU CG C 27.988 0.017 1 698 2496 73 LEU N N 125.439 0.047 1 699 2497 74 ILE H H 9.921 0.002 1 700 2497 74 ILE HA H 5.128 0.004 1 701 2497 74 ILE HB H 1.896 0.004 1 702 2497 74 ILE HD1 H 0.608 0.001 1 703 2497 74 ILE HG12 H 1.468 0.003 2 704 2497 74 ILE HG13 H 0.574 0.008 2 705 2497 74 ILE HG2 H 0.530 0.004 1 706 2497 74 ILE C C 175.730 0.15 1 707 2497 74 ILE CA C 60.930 0.046 1 708 2497 74 ILE CB C 39.488 0.074 1 709 2497 74 ILE CD1 C 14.879 0.099 1 710 2497 74 ILE CG1 C 27.462 0.069 1 711 2497 74 ILE CG2 C 16.991 0.127 1 712 2497 74 ILE N N 132.185 0.059 1 713 2498 75 SER H H 9.284 0.002 1 714 2498 75 SER HA H 5.111 0.003 1 715 2498 75 SER HB2 H 4.019 0.006 2 716 2498 75 SER HB3 H 3.446 0.003 2 717 2498 75 SER C C 173.449 0.15 1 718 2498 75 SER CA C 58.260 0.062 1 719 2498 75 SER CB C 63.956 0.095 1 720 2498 75 SER N N 125.384 0.042 1 721 2499 76 ILE H H 9.861 0.002 1 722 2499 76 ILE HA H 4.814 0.015 1 723 2499 76 ILE HB H 1.836 0.005 1 724 2499 76 ILE HD1 H 0.676 0.004 1 725 2499 76 ILE HG12 H 1.717 0.005 2 726 2499 76 ILE HG13 H 0.986 0.010 2 727 2499 76 ILE HG2 H 0.894 0.004 1 728 2499 76 ILE CA C 61.034 0.052 1 729 2499 76 ILE CB C 40.387 0.091 1 730 2499 76 ILE CD1 C 15.291 0.093 1 731 2499 76 ILE CG1 C 27.277 0.132 1 732 2499 76 ILE CG2 C 18.916 0.081 1 733 2499 76 ILE N N 129.414 0.046 1 734 2500 77 LYS H H 8.827 0.004 1 735 2500 77 LYS HA H 5.254 0.002 1 736 2500 77 LYS HB2 H 1.445 0.004 1 737 2500 77 LYS HB3 H 1.762 0.006 1 738 2500 77 LYS HD2 H 0.966 0.004 1 739 2500 77 LYS HD3 H 1.180 0.005 1 740 2500 77 LYS HE2 H 2.209 0.003 2 741 2500 77 LYS HE3 H 1.891 0.003 2 742 2500 77 LYS HG2 H 0.376 0.002 1 743 2500 77 LYS HG3 H 0.768 0.009 1 744 2500 77 LYS C C 175.245 0.15 1 745 2500 77 LYS CA C 54.388 0.140 1 746 2500 77 LYS CB C 36.127 0.080 1 747 2500 77 LYS CD C 29.683 0.036 1 748 2500 77 LYS CE C 41.587 0.030 1 749 2500 77 LYS CG C 24.965 0.039 1 750 2500 77 LYS N N 126.922 0.046 1 751 2501 78 TYR H H 8.408 0.001 1 752 2501 78 TYR HA H 5.479 0.003 1 753 2501 78 TYR HB2 H 2.604 0.012 1 754 2501 78 TYR HB3 H 2.604 0.012 1 755 2501 78 TYR HD1 H 6.685 0.001 3 756 2501 78 TYR HD2 H 6.685 0.001 3 757 2501 78 TYR HE1 H 6.619 0.015 3 758 2501 78 TYR HE2 H 6.619 0.015 3 759 2501 78 TYR C C 174.792 0.15 1 760 2501 78 TYR CA C 56.837 0.066 1 761 2501 78 TYR CB C 44.008 0.060 1 762 2501 78 TYR CD1 C 132.241 0.15 3 763 2501 78 TYR CE1 C 117.962 0.15 3 764 2501 78 TYR N N 122.282 0.033 1 765 2502 79 GLY H H 8.196 0.001 1 766 2502 79 GLY HA2 H 4.040 0.056 2 767 2502 79 GLY HA3 H 3.465 0.078 2 768 2502 79 GLY C C 173.932 0.15 1 769 2502 79 GLY CA C 45.741 0.034 1 770 2502 79 GLY N N 113.451 0.018 1 771 2503 80 GLY H H 7.589 0.003 1 772 2503 80 GLY HA2 H 4.490 0.005 2 773 2503 80 GLY HA3 H 3.555 0.004 2 774 2503 80 GLY CA C 43.540 0.057 1 775 2503 80 GLY N N 107.293 0.024 1 776 2504 81 PRO HA H 4.320 0.007 1 777 2504 81 PRO HB2 H 2.028 0.009 2 778 2504 81 PRO HB3 H 1.654 0.009 2 779 2504 81 PRO HD2 H 3.207 0.004 2 780 2504 81 PRO HD3 H 2.952 0.005 2 781 2504 81 PRO HG2 H 1.760 0.005 2 782 2504 81 PRO HG3 H 0.978 0.006 2 783 2504 81 PRO C C 175.311 0.15 1 784 2504 81 PRO CA C 62.722 0.085 1 785 2504 81 PRO CB C 29.297 0.072 1 786 2504 81 PRO CD C 49.042 0.030 1 787 2504 81 PRO CG C 26.068 0.068 1 788 2505 82 TYR H H 7.778 0.002 1 789 2505 82 TYR HA H 4.791 0.016 1 790 2505 82 TYR HB2 H 3.206 0.005 2 791 2505 82 TYR HB3 H 2.973 0.005 2 792 2505 82 TYR HD1 H 6.899 0.003 3 793 2505 82 TYR HD2 H 6.899 0.003 3 794 2505 82 TYR HE1 H 6.771 0.003 3 795 2505 82 TYR HE2 H 6.771 0.003 3 796 2505 82 TYR C C 175.086 0.15 1 797 2505 82 TYR CA C 56.111 0.168 1 798 2505 82 TYR CB C 39.483 0.090 1 799 2505 82 TYR CD1 C 133.923 0.15 3 800 2505 82 TYR CE1 C 117.68 0.15 3 801 2505 82 TYR N N 123.973 0.036 1 802 2506 83 HIS H H 8.625 0.002 1 803 2506 83 HIS HA H 4.583 0.013 1 804 2506 83 HIS HB2 H 2.968 0.004 1 805 2506 83 HIS HB3 H 3.263 0.005 1 806 2506 83 HIS HD2 H 7.214 0.015 1 807 2506 83 HIS HE1 H 7.560 0.015 1 808 2506 83 HIS C C 178.161 0.15 1 809 2506 83 HIS CA C 58.241 0.058 1 810 2506 83 HIS CB C 33.132 0.060 1 811 2506 83 HIS CD2 C 118.097 0.15 1 812 2506 83 HIS CE1 C 136.592 0.15 1 813 2506 83 HIS N N 124.092 0.026 1 814 2507 84 ILE H H 8.327 0.001 1 815 2507 84 ILE HA H 4.553 0.012 1 816 2507 84 ILE HB H 2.199 0.004 1 817 2507 84 ILE HD1 H 0.927 0.003 1 818 2507 84 ILE HG12 H 1.468 0.004 1 819 2507 84 ILE HG13 H 1.468 0.004 1 820 2507 84 ILE HG2 H 0.985 0.002 1 821 2507 84 ILE C C 176.523 0.15 1 822 2507 84 ILE CA C 60.791 0.098 1 823 2507 84 ILE CB C 39.162 0.080 1 824 2507 84 ILE CD1 C 16.008 0.075 1 825 2507 84 ILE CG1 C 25.168 0.086 1 826 2507 84 ILE CG2 C 17.810 0.086 1 827 2507 84 ILE N N 117.355 0.022 1 828 2508 85 GLY H H 9.130 0.002 1 829 2508 85 GLY HA2 H 3.883 0.006 2 830 2508 85 GLY HA3 H 3.800 0.002 2 831 2508 85 GLY C C 174.438 0.15 1 832 2508 85 GLY CA C 47.673 0.031 1 833 2508 85 GLY N N 111.346 0.015 1 834 2509 86 GLY H H 8.236 0.001 1 835 2509 86 GLY HA2 H 3.893 0.097 2 836 2509 86 GLY HA3 H 3.161 0.016 2 837 2509 86 GLY C C 171.837 0.15 1 838 2509 86 GLY CA C 44.844 0.058 1 839 2509 86 GLY N N 115.594 0.018 1 840 2510 87 SER H H 7.385 0.001 1 841 2510 87 SER HA H 4.217 0.005 1 842 2510 87 SER HB2 H 4.519 0.006 2 843 2510 87 SER HB3 H 3.758 0.007 2 844 2510 87 SER CA C 54.783 0.070 1 845 2510 87 SER CB C 62.683 0.079 1 846 2510 87 SER N N 112.859 0.018 1 847 2511 88 PRO HA H 5.532 0.003 1 848 2511 88 PRO HB2 H 1.674 0.005 1 849 2511 88 PRO HB3 H 2.236 0.011 1 850 2511 88 PRO HD2 H 3.263 0.003 2 851 2511 88 PRO HD3 H 2.439 0.004 2 852 2511 88 PRO HG2 H 1.833 0.004 1 853 2511 88 PRO HG3 H 1.833 0.004 1 854 2511 88 PRO C C 175.870 0.15 1 855 2511 88 PRO CA C 62.379 0.087 1 856 2511 88 PRO CB C 33.639 0.081 1 857 2511 88 PRO CD C 49.952 0.041 1 858 2511 88 PRO CG C 24.689 0.030 1 859 2512 89 PHE H H 9.359 0.001 1 860 2512 89 PHE HA H 4.467 0.005 1 861 2512 89 PHE HB2 H 2.806 0.007 1 862 2512 89 PHE HB3 H 3.183 0.004 1 863 2512 89 PHE HD1 H 7.226 0.003 3 864 2512 89 PHE HD2 H 7.226 0.003 3 865 2512 89 PHE HE1 H 7.148 0.003 3 866 2512 89 PHE HE2 H 7.148 0.003 3 867 2512 89 PHE HZ H 7.388 0.001 1 868 2512 89 PHE C C 175.152 0.15 1 869 2512 89 PHE CA C 57.401 0.062 1 870 2512 89 PHE CB C 40.843 0.070 1 871 2512 89 PHE CD1 C 132.522 0.033 3 872 2512 89 PHE CE1 C 130.663 0.15 3 873 2512 89 PHE CZ C 129.689 0.15 1 874 2512 89 PHE N N 124.789 0.043 1 875 2513 90 LYS H H 8.772 0.002 1 876 2513 90 LYS HA H 4.941 0.015 1 877 2513 90 LYS HB2 H 1.847 0.015 2 878 2513 90 LYS HB3 H 1.697 0.015 2 879 2513 90 LYS HG2 H 1.251 0.015 1 880 2513 90 LYS HG3 H 1.251 0.015 1 881 2513 90 LYS C C 174.183 0.15 1 882 2513 90 LYS CA C 55.749 0.024 1 883 2513 90 LYS CB C 32.817 0.051 1 884 2513 90 LYS CD C 29.399 0.15 1 885 2513 90 LYS CG C 25.223 0.054 1 886 2513 90 LYS N N 125.133 0.031 1 887 2514 91 ALA H H 9.158 0.007 1 888 2514 91 ALA HA H 4.510 0.007 1 889 2514 91 ALA HB H 1.133 0.003 1 890 2514 91 ALA C C 176.561 0.15 1 891 2514 91 ALA CA C 50.528 0.051 1 892 2514 91 ALA CB C 20.653 0.094 1 893 2514 91 ALA N N 131.989 0.066 1 894 2515 92 LYS H H 8.186 0.002 1 895 2515 92 LYS HA H 4.926 0.015 1 896 2515 92 LYS HB2 H 1.916 0.015 1 897 2515 92 LYS HB3 H 1.916 0.015 1 898 2515 92 LYS HD2 H 1.721 0.015 1 899 2515 92 LYS HD3 H 1.721 0.015 1 900 2515 92 LYS HE2 H 2.996 0.015 1 901 2515 92 LYS HE3 H 2.996 0.015 1 902 2515 92 LYS HG2 H 1.489 0.015 2 903 2515 92 LYS HG3 H 1.327 0.015 2 904 2515 92 LYS C C 175.177 0.15 1 905 2515 92 LYS CA C 55.725 0.030 1 906 2515 92 LYS CB C 33.765 0.044 1 907 2515 92 LYS CD C 29.179 0.056 1 908 2515 92 LYS CE C 42.149 0.15 1 909 2515 92 LYS CG C 24.970 0.002 1 910 2515 92 LYS N N 124.887 0.033 1 911 2516 93 VAL H H 9.362 0.001 1 912 2516 93 VAL HA H 5.161 0.011 1 913 2516 93 VAL HB H 2.336 0.003 1 914 2516 93 VAL HG1 H 0.803 0.007 2 915 2516 93 VAL HG2 H 0.657 0.003 2 916 2516 93 VAL C C 176.988 0.15 1 917 2516 93 VAL CA C 60.523 0.060 1 918 2516 93 VAL CB C 33.291 0.110 1 919 2516 93 VAL CG1 C 22.672 0.054 2 920 2516 93 VAL CG2 C 21.804 0.034 2 921 2516 93 VAL N N 129.943 0.036 1 922 2517 94 THR H H 8.614 0.003 1 923 2517 94 THR HA H 4.902 0.003 1 924 2517 94 THR HB H 4.464 0.007 1 925 2517 94 THR HG2 H 1.240 0.003 1 926 2517 94 THR C C 172.759 0.15 1 927 2517 94 THR CA C 60.121 0.064 1 928 2517 94 THR CB C 71.072 0.095 1 929 2517 94 THR CG2 C 21.428 0.074 1 930 2517 94 THR N N 122.032 0.040 1 931 2518 95 GLY H H 8.280 0.003 1 932 2518 95 GLY HA2 H 3.852 0.015 1 933 2518 95 GLY HA3 H 4.846 0.015 1 934 2518 95 GLY CA C 43.955 0.027 1 935 2518 95 GLY N N 107.949 0.016 1 936 2519 96 PRO HA H 4.449 0.005 1 937 2519 96 PRO HB2 H 2.194 0.014 2 938 2519 96 PRO HB3 H 1.777 0.012 2 939 2519 96 PRO HD2 H 3.651 0.006 1 940 2519 96 PRO HD3 H 3.461 0.004 1 941 2519 96 PRO HG2 H 1.977 0.009 2 942 2519 96 PRO HG3 H 1.845 0.012 2 943 2519 96 PRO C C 176.892 0.15 1 944 2519 96 PRO CA C 62.062 0.092 1 945 2519 96 PRO CB C 32.286 0.065 1 946 2519 96 PRO CD C 49.423 0.040 1 947 2519 96 PRO CG C 27.037 0.045 1 948 2520 97 ARG H H 8.651 0.003 1 949 2520 97 ARG HA H 4.348 0.007 1 950 2520 97 ARG HB2 H 1.986 0.014 2 951 2520 97 ARG HB3 H 1.815 0.006 2 952 2520 97 ARG HD2 H 3.312 0.006 1 953 2520 97 ARG HD3 H 3.312 0.006 1 954 2520 97 ARG HG2 H 1.777 0.009 2 955 2520 97 ARG HG3 H 1.703 0.013 2 956 2520 97 ARG C C 176.236 0.15 1 957 2520 97 ARG CA C 57.587 0.054 1 958 2520 97 ARG CB C 30.472 0.134 1 959 2520 97 ARG CD C 43.524 0.087 1 960 2520 97 ARG CG C 28.690 0.033 1 961 2520 97 ARG N N 120.781 0.027 1 962 2521 98 LEU H H 8.545 0.002 1 963 2521 98 LEU HA H 4.577 0.005 1 964 2521 98 LEU HB2 H 1.839 0.004 2 965 2521 98 LEU HB3 H 1.695 0.010 2 966 2521 98 LEU HD1 H 0.788 0.004 2 967 2521 98 LEU HD2 H 0.784 0.003 2 968 2521 98 LEU HG H 0.883 0.004 1 969 2521 98 LEU C C 175.880 0.15 1 970 2521 98 LEU CA C 55.068 0.072 1 971 2521 98 LEU CB C 43.082 0.075 1 972 2521 98 LEU CD1 C 25.342 0.002 2 973 2521 98 LEU CD2 C 22.471 0.015 2 974 2521 98 LEU CG C 26.309 0.124 1 975 2521 98 LEU N N 128.715 0.040 1 976 2522 99 VAL H H 7.307 0.002 1 977 2522 99 VAL HA H 4.109 0.004 1 978 2522 99 VAL HB H 2.087 0.004 1 979 2522 99 VAL HG1 H 0.905 0.004 2 980 2522 99 VAL HG2 H 0.906 0.003 2 981 2522 99 VAL CA C 62.807 0.061 1 982 2522 99 VAL CB C 34.180 0.062 1 983 2522 99 VAL CG1 C 21.699 0.012 2 984 2522 99 VAL CG2 C 21.729 0.042 2 985 2522 99 VAL N N 122.758 0.036 1 stop_ save_