data_15411 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the talin C-terminal actin binding site ; _BMRB_accession_number 15411 _BMRB_flat_file_name bmr15411.str _Entry_type original _Submission_date 2007-07-30 _Accession_date 2007-07-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goult Benjamin T. . 2 Gingras Alexandre R. . 3 Bate Neil . . 4 Critchley David R.C. . 5 Barsukov Igor L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1031 "13C chemical shifts" 774 "15N chemical shifts" 203 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update author 'correct entry citation' 2008-01-30 update author 'complete entry citation' 2008-01-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of the C-terminal actin-binding domain of talin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636914 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goult Benjamin T. . 2 Gingras Alexandre R. . 3 Bate Neil . . 4 Roberts Gordon C.K. . 5 Critchley David R. . 6 Barsukov Igor L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17 _Page_last 19 _Year 2008 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title 'The structure of the C-terminal actin-binding domain of talin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18157087 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gingras Alexandre R. . 2 Bate Neil . . 3 Goult Benjamin T. . 4 Hazelwood L. . . 5 Canestrelli I. . . 6 Grossmann J. G. . 7 Liu H. . . 8 Putz N. S. . 9 Roberts Gordon C. . 10 Barsukov Igor L. . 11 Critchley David R. . stop_ _Journal_abbreviation 'EMBO J.' _Journal_name_full . _Journal_volume 27 _Journal_issue 2 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 458 _Page_last 469 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Single polypeptide chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Talin c-terminal acting binding domain' $Talin_c-terminal_actin_binding_site_(ABS3) 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_Talin_c-terminal_actin_binding_site_(ABS3) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Talin_c-terminal_actin_binding_site_(ABS3) _Molecular_mass 19385.072 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 189 _Mol_residue_sequence ; GIDPFTDPTVIAENELLGAA AAIEAAAKKLEQLKPRAKPK EADESLNFEEQILEAAKSIA AATSALVKAASAAQRELVAQ GKVGAIPANALDDGQWSQGL ISAARMVAAATNNLCEAANA AVQGHASQEKLISSAKQVAA STAQLLVACKVKADQDSEAM KRLQAAGNAVKRASDNLVKA AQKAAAFED ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2294 GLY 2 2295 ILE 3 2296 ASP 4 2297 PRO 5 2298 PHE 6 2299 THR 7 2300 ASP 8 2301 PRO 9 2302 THR 10 2303 VAL 11 2304 ILE 12 2305 ALA 13 2306 GLU 14 2307 ASN 15 2308 GLU 16 2309 LEU 17 2310 LEU 18 2311 GLY 19 2312 ALA 20 2313 ALA 21 2314 ALA 22 2315 ALA 23 2316 ILE 24 2317 GLU 25 2318 ALA 26 2319 ALA 27 2320 ALA 28 2321 LYS 29 2322 LYS 30 2323 LEU 31 2324 GLU 32 2325 GLN 33 2326 LEU 34 2327 LYS 35 2328 PRO 36 2329 ARG 37 2330 ALA 38 2331 LYS 39 2332 PRO 40 2333 LYS 41 2334 GLU 42 2335 ALA 43 2336 ASP 44 2337 GLU 45 2338 SER 46 2339 LEU 47 2340 ASN 48 2341 PHE 49 2342 GLU 50 2343 GLU 51 2344 GLN 52 2345 ILE 53 2346 LEU 54 2347 GLU 55 2348 ALA 56 2349 ALA 57 2350 LYS 58 2351 SER 59 2352 ILE 60 2353 ALA 61 2354 ALA 62 2355 ALA 63 2356 THR 64 2357 SER 65 2358 ALA 66 2359 LEU 67 2360 VAL 68 2361 LYS 69 2362 ALA 70 2363 ALA 71 2364 SER 72 2365 ALA 73 2366 ALA 74 2367 GLN 75 2368 ARG 76 2369 GLU 77 2370 LEU 78 2371 VAL 79 2372 ALA 80 2373 GLN 81 2374 GLY 82 2375 LYS 83 2376 VAL 84 2377 GLY 85 2378 ALA 86 2379 ILE 87 2380 PRO 88 2381 ALA 89 2382 ASN 90 2383 ALA 91 2384 LEU 92 2385 ASP 93 2386 ASP 94 2387 GLY 95 2388 GLN 96 2389 TRP 97 2390 SER 98 2391 GLN 99 2392 GLY 100 2393 LEU 101 2394 ILE 102 2395 SER 103 2396 ALA 104 2397 ALA 105 2398 ARG 106 2399 MET 107 2400 VAL 108 2401 ALA 109 2402 ALA 110 2403 ALA 111 2404 THR 112 2405 ASN 113 2406 ASN 114 2407 LEU 115 2408 CYS 116 2409 GLU 117 2410 ALA 118 2411 ALA 119 2412 ASN 120 2413 ALA 121 2414 ALA 122 2415 VAL 123 2416 GLN 124 2417 GLY 125 2418 HIS 126 2419 ALA 127 2420 SER 128 2421 GLN 129 2422 GLU 130 2423 LYS 131 2424 LEU 132 2425 ILE 133 2426 SER 134 2427 SER 135 2428 ALA 136 2429 LYS 137 2430 GLN 138 2431 VAL 139 2432 ALA 140 2433 ALA 141 2434 SER 142 2435 THR 143 2436 ALA 144 2437 GLN 145 2438 LEU 146 2439 LEU 147 2440 VAL 148 2441 ALA 149 2442 CYS 150 2443 LYS 151 2444 VAL 152 2445 LYS 153 2446 ALA 154 2447 ASP 155 2448 GLN 156 2449 ASP 157 2450 SER 158 2451 GLU 159 2452 ALA 160 2453 MET 161 2454 LYS 162 2455 ARG 163 2456 LEU 164 2457 GLN 165 2458 ALA 166 2459 ALA 167 2460 GLY 168 2461 ASN 169 2462 ALA 170 2463 VAL 171 2464 LYS 172 2465 ARG 173 2466 ALA 174 2467 SER 175 2468 ASP 176 2469 ASN 177 2470 LEU 178 2471 VAL 179 2472 LYS 180 2473 ALA 181 2474 ALA 182 2475 GLN 183 2476 LYS 184 2477 ALA 185 2478 ALA 186 2479 ALA 187 2480 PHE 188 2481 GLU 189 2482 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2JSW "Nmr Structure Of The Talin C-Terminal Actin Binding Site" 100.00 189 100.00 100.00 8.40e-125 DBJ BAA82979 "KIAA1027 protein [Homo sapiens]" 99.47 2550 97.87 98.94 5.46e-101 DBJ BAC65702 "mKIAA1027 protein [Mus musculus]" 99.47 2564 98.40 98.94 1.33e-101 DBJ BAE27781 "unnamed protein product [Mus musculus]" 99.47 2541 98.40 98.94 1.34e-101 DBJ BAE41923 "unnamed protein product, partial [Mus musculus]" 93.65 1051 97.74 98.87 7.09e-97 DBJ BAE42391 "unnamed protein product [Mus musculus]" 93.65 1051 97.74 98.87 7.09e-97 EMBL CAA39588 "talin [Mus musculus]" 99.47 2541 98.40 98.94 1.34e-101 GB AAD13152 "talin [Homo sapiens]" 99.47 2541 97.87 98.94 5.64e-101 GB AAF23322 "talin [Homo sapiens]" 99.47 2541 97.87 98.94 5.38e-101 GB AAF27330 "talin [Homo sapiens]" 99.47 2540 97.87 98.94 5.37e-101 GB AAH18557 "Tln1 protein, partial [Mus musculus]" 99.47 939 98.40 98.94 2.36e-105 GB AAH42923 "Talin 1 [Homo sapiens]" 99.47 2541 97.87 98.94 6.16e-101 PRF 1617167A talin 99.47 2541 98.40 98.94 1.34e-101 REF NP_001034114 "talin-1 [Rattus norvegicus]" 99.47 2541 98.40 98.94 1.18e-101 REF NP_001192357 "talin-1 [Bos taurus]" 99.47 2541 97.87 98.94 5.59e-101 REF NP_006280 "talin-1 [Homo sapiens]" 99.47 2541 97.87 98.94 5.38e-101 REF NP_035732 "talin-1 [Mus musculus]" 99.47 2541 98.40 98.94 1.34e-101 REF XP_001504543 "PREDICTED: talin-1 isoform X1 [Equus caballus]" 99.47 2541 98.40 98.94 1.10e-101 SP P26039 "RecName: Full=Talin-1" 99.47 2541 98.40 98.94 1.34e-101 SP Q9Y490 "RecName: Full=Talin-1" 99.47 2541 97.87 98.94 5.38e-101 TPG DAA26829 "TPA: talin 1 [Bos taurus]" 99.47 2541 97.87 98.94 5.22e-101 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Talin_c-terminal_actin_binding_site_(ABS3) . 10090 Eukaryota Metazoa Mus musculus 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 $Talin_c-terminal_actin_binding_site_(ABS3) 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET-151 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabelled _Saveframe_category sample _Sample_type solution _Details '20 mM Sodium Phosphate, pH 6.0, 50 mM NaCl, 2 mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Talin_c-terminal_actin_binding_site_(ABS3) 1 mM 'natural abundance' 'Sodium Phosphate' 20 mM . NaCl 50 mM . DTT 2 mM . H2O 90 % . D2O 10 % . stop_ save_ save_15N _Saveframe_category sample _Sample_type solution _Details '20 mM Sodium Phosphate, pH 6.0, 50 mM NaCl, 2 mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Talin_c-terminal_actin_binding_site_(ABS3) 1 mM [U-15N] 'Sodium Phosphate' 20 mM . NaCl 50 mM . DTT 2 mM . H2O 90 % . D2O 10 % . stop_ save_ save_double _Saveframe_category sample _Sample_type solution _Details '20 mM Sodium Phosphate, pH 6.0, 50 mM NaCl, 2 mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Talin_c-terminal_actin_binding_site_(ABS3) 1 mM '[U-13C; U-15N]' 'Sodium Phosphate' 20 mM . NaCl 50 mM . DTT 2 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' 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 'chemical shift assignment' 'chemical shift calculation' 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 11 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details 'with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'with cryoprobe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $double save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $double save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $double save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $double save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $double save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $double save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $double save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $double save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $unlabelled save_ save_2D_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabelled save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $double save_ save_4D_13C,_13C_HMQC-NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C, 13C HMQC-NOESY-HSQC' _Sample_label $double 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 6.0 . pH pressure 1 . atm temperature 318.15 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $ARIA $CYANA $TOPSPIN $CcpNmr_Analysis $TALOS stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HBHA(CO)NH' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D HN(CO)CA' '4D 13C, 13C HMQC-NOESY-HSQC' stop_ loop_ _Sample_label $15N $double $unlabelled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Talin c-terminal acting binding domain' _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 1 1 GLY HA2 H 4.013 0.02 1 2 1 1 GLY HA3 H 4.013 0.02 1 3 1 1 GLY CA C 45.422 0.2 1 4 2 2 ILE HA H 4.301 0.02 1 5 2 2 ILE HB H 1.902 0.02 1 6 2 2 ILE HD1 H 0.926 0.02 1 7 2 2 ILE HG12 H 1.504 0.02 1 8 2 2 ILE HG13 H 1.236 0.02 1 9 2 2 ILE HG2 H 0.957 0.02 1 10 2 2 ILE CA C 61.119 0.2 1 11 2 2 ILE CB C 39.191 0.2 1 12 2 2 ILE CD1 C 13.215 0.2 1 13 2 2 ILE CG1 C 27.239 0.2 1 14 2 2 ILE CG2 C 17.643 0.2 1 15 3 3 ASP HA H 4.966 0.02 1 16 3 3 ASP HB2 H 2.642 0.02 1 17 3 3 ASP HB3 H 2.820 0.02 1 18 3 3 ASP CA C 52.203 0.2 1 19 3 3 ASP CB C 41.614 0.2 1 20 4 4 PRO HA H 4.418 0.02 1 21 4 4 PRO HB2 H 1.703 0.02 1 22 4 4 PRO HB3 H 2.230 0.02 1 23 4 4 PRO HD2 H 3.817 0.02 1 24 4 4 PRO HD3 H 3.931 0.02 1 25 4 4 PRO HG2 H 1.985 0.02 1 26 4 4 PRO HG3 H 1.803 0.02 1 27 4 4 PRO C C 176.783 0.2 1 28 4 4 PRO CA C 63.786 0.2 1 29 4 4 PRO CB C 32.050 0.002 1 30 4 4 PRO CD C 50.920 0.002 1 31 4 4 PRO CG C 26.989 0.003 1 32 5 5 PHE H H 8.194 0.02 1 33 5 5 PHE HA H 4.688 0.02 1 34 5 5 PHE HB2 H 3.172 0.02 1 35 5 5 PHE HB3 H 3.288 0.02 1 36 5 5 PHE HD1 H 7.406 0.02 3 37 5 5 PHE HD2 H 7.406 0.02 3 38 5 5 PHE HE1 H 7.463 0.02 3 39 5 5 PHE HE2 H 7.463 0.02 3 40 5 5 PHE HZ H 7.398 0.02 1 41 5 5 PHE C C 176.066 0.2 1 42 5 5 PHE CA C 58.090 0.2 1 43 5 5 PHE CB C 39.057 0.001 1 44 5 5 PHE CD1 C 131.806 0.2 3 45 5 5 PHE CD2 C 131.806 0.2 3 46 5 5 PHE CE1 C 131.287 0.2 3 47 5 5 PHE CE2 C 131.287 0.2 3 48 5 5 PHE CZ C 129.609 0.2 1 49 5 5 PHE N N 117.557 0.013 1 50 6 6 THR H H 7.843 0.02 1 51 6 6 THR HA H 4.362 0.02 1 52 6 6 THR HB H 4.214 0.02 1 53 6 6 THR HG2 H 1.263 0.02 1 54 6 6 THR C C 173.477 0.2 1 55 6 6 THR CA C 61.998 0.2 1 56 6 6 THR CB C 70.067 0.2 1 57 6 6 THR CG2 C 21.774 0.2 1 58 6 6 THR N N 113.995 0.001 1 59 7 7 ASP H H 8.079 0.001 1 60 7 7 ASP HA H 4.940 0.02 1 61 7 7 ASP HB2 H 2.768 0.02 1 62 7 7 ASP HB3 H 2.929 0.02 1 63 7 7 ASP C C 175.321 0.2 1 64 7 7 ASP CA C 52.177 0.2 1 65 7 7 ASP CB C 42.126 0.2 1 66 7 7 ASP N N 124.792 0.029 1 67 8 8 PRO HA H 4.402 0.02 1 68 8 8 PRO HB2 H 2.100 0.02 1 69 8 8 PRO HB3 H 2.454 0.02 1 70 8 8 PRO HD2 H 3.883 0.02 1 71 8 8 PRO HD3 H 4.070 0.02 1 72 8 8 PRO HG2 H 2.188 0.02 1 73 8 8 PRO HG3 H 2.073 0.02 1 74 8 8 PRO C C 178.213 0.2 1 75 8 8 PRO CA C 64.873 0.2 1 76 8 8 PRO CB C 32.449 0.2 1 77 8 8 PRO CD C 51.388 0.003 1 78 8 8 PRO CG C 27.496 0.2 1 79 9 9 THR H H 8.535 0.001 1 80 9 9 THR HA H 4.211 0.02 1 81 9 9 THR HB H 4.285 0.02 1 82 9 9 THR HG2 H 1.338 0.02 1 83 9 9 THR C C 176.482 0.2 1 84 9 9 THR CA C 65.023 0.2 1 85 9 9 THR CB C 68.788 0.2 1 86 9 9 THR CG2 C 22.614 0.2 1 87 9 9 THR N N 112.411 0.025 1 88 10 10 VAL H H 7.546 0.02 1 89 10 10 VAL HA H 3.989 0.02 1 90 10 10 VAL HB H 2.305 0.02 1 91 10 10 VAL HG1 H 1.012 0.02 1 92 10 10 VAL HG2 H 1.101 0.02 1 93 10 10 VAL C C 177.866 0.2 1 94 10 10 VAL CA C 64.832 0.2 1 95 10 10 VAL CB C 32.088 0.2 1 96 10 10 VAL CG1 C 21.241 0.2 1 97 10 10 VAL CG2 C 22.095 0.2 1 98 10 10 VAL N N 122.731 0.023 1 99 11 11 ILE H H 7.717 0.002 1 100 11 11 ILE HA H 4.053 0.02 1 101 11 11 ILE HB H 2.006 0.02 1 102 11 11 ILE HD1 H 0.891 0.02 1 103 11 11 ILE HG12 H 1.577 0.02 1 104 11 11 ILE HG13 H 1.288 0.02 1 105 11 11 ILE HG2 H 1.012 0.02 1 106 11 11 ILE C C 177.935 0.2 1 107 11 11 ILE CA C 63.540 0.2 1 108 11 11 ILE CB C 38.022 0.2 1 109 11 11 ILE CD1 C 12.826 0.2 1 110 11 11 ILE CG1 C 28.077 0.005 1 111 11 11 ILE CG2 C 17.768 0.2 1 112 11 11 ILE N N 119.241 0.002 1 113 12 12 ALA H H 8.028 0.001 1 114 12 12 ALA HA H 4.004 0.02 1 115 12 12 ALA HB H 1.454 0.02 1 116 12 12 ALA C C 178.768 0.2 1 117 12 12 ALA CA C 55.409 0.2 1 118 12 12 ALA CB C 17.940 0.2 1 119 12 12 ALA N N 122.258 0.015 1 120 13 13 GLU H H 8.182 0.003 1 121 13 13 GLU HA H 4.084 0.02 1 122 13 13 GLU HB2 H 2.245 0.02 1 123 13 13 GLU HB3 H 2.245 0.02 1 124 13 13 GLU HG2 H 2.414 0.02 1 125 13 13 GLU HG3 H 2.414 0.02 1 126 13 13 GLU C C 178.353 0.2 1 127 13 13 GLU CA C 59.931 0.2 1 128 13 13 GLU CB C 29.558 0.2 1 129 13 13 GLU CG C 36.259 0.2 1 130 13 13 GLU N N 118.071 0.033 1 131 14 14 ASN H H 8.265 0.001 1 132 14 14 ASN HA H 4.562 0.02 1 133 14 14 ASN HB2 H 2.901 0.02 1 134 14 14 ASN HB3 H 3.045 0.02 1 135 14 14 ASN HD21 H 6.920 0.02 1 136 14 14 ASN HD22 H 7.633 0.02 1 137 14 14 ASN C C 179.066 0.2 1 138 14 14 ASN CA C 56.124 0.2 1 139 14 14 ASN CB C 38.350 0.001 1 140 14 14 ASN N N 117.450 0.026 1 141 14 14 ASN ND2 N 111.863 0.001 1 142 15 15 GLU H H 8.606 0.02 1 143 15 15 GLU HA H 4.235 0.02 1 144 15 15 GLU HB2 H 2.191 0.02 1 145 15 15 GLU HB3 H 2.075 0.02 1 146 15 15 GLU HG2 H 2.326 0.02 1 147 15 15 GLU HG3 H 2.476 0.02 1 148 15 15 GLU C C 180.051 0.2 1 149 15 15 GLU CA C 59.038 0.2 1 150 15 15 GLU CB C 29.763 0.004 1 151 15 15 GLU CG C 36.720 0.001 1 152 15 15 GLU N N 121.382 0.043 1 153 16 16 LEU H H 8.557 0.002 1 154 16 16 LEU HA H 4.042 0.02 1 155 16 16 LEU HB2 H 2.061 0.02 1 156 16 16 LEU HB3 H 1.560 0.02 1 157 16 16 LEU HD1 H 0.843 0.02 1 158 16 16 LEU HD2 H 0.831 0.02 1 159 16 16 LEU HG H 1.770 0.02 1 160 16 16 LEU C C 179.041 0.2 1 161 16 16 LEU CA C 58.894 0.2 1 162 16 16 LEU CB C 41.124 0.006 1 163 16 16 LEU CD1 C 24.895 0.2 1 164 16 16 LEU CD2 C 24.205 0.2 1 165 16 16 LEU CG C 28.318 0.2 1 166 16 16 LEU N N 122.607 0.032 1 167 17 17 LEU H H 8.332 0.02 1 168 17 17 LEU HA H 4.202 0.02 1 169 17 17 LEU HB2 H 1.637 0.02 1 170 17 17 LEU HB3 H 2.005 0.02 1 171 17 17 LEU HD1 H 0.977 0.02 1 172 17 17 LEU HD2 H 1.026 0.02 1 173 17 17 LEU HG H 1.954 0.02 1 174 17 17 LEU C C 181.010 0.2 1 175 17 17 LEU CA C 58.106 0.2 1 176 17 17 LEU CB C 41.007 0.004 1 177 17 17 LEU CD1 C 22.754 0.2 1 178 17 17 LEU CD2 C 25.231 0.2 1 179 17 17 LEU CG C 26.959 0.2 1 180 17 17 LEU N N 119.578 0.006 1 181 18 18 GLY H H 8.364 0.002 1 182 18 18 GLY HA2 H 3.988 0.02 1 183 18 18 GLY HA3 H 4.057 0.02 1 184 18 18 GLY C C 176.864 0.2 1 185 18 18 GLY CA C 46.977 0.004 1 186 18 18 GLY N N 109.043 0.027 1 187 19 19 ALA H H 8.124 0.02 1 188 19 19 ALA HA H 4.343 0.02 1 189 19 19 ALA HB H 1.552 0.02 1 190 19 19 ALA C C 179.243 0.2 1 191 19 19 ALA CA C 54.970 0.2 1 192 19 19 ALA CB C 17.533 0.2 1 193 19 19 ALA N N 126.400 0.031 1 194 20 20 ALA H H 8.155 0.001 1 195 20 20 ALA HA H 4.072 0.02 1 196 20 20 ALA HB H 1.628 0.02 1 197 20 20 ALA C C 179.741 0.2 1 198 20 20 ALA CA C 55.764 0.2 1 199 20 20 ALA CB C 17.826 0.2 1 200 20 20 ALA N N 119.797 0.015 1 201 21 21 ALA H H 8.231 0.003 1 202 21 21 ALA HA H 4.272 0.02 1 203 21 21 ALA HB H 1.626 0.02 1 204 21 21 ALA C C 180.803 0.2 1 205 21 21 ALA CA C 54.989 0.2 1 206 21 21 ALA CB C 17.973 0.2 1 207 21 21 ALA N N 120.594 0.022 1 208 22 22 ALA H H 8.087 0.02 1 209 22 22 ALA HA H 4.278 0.02 1 210 22 22 ALA HB H 1.653 0.02 1 211 22 22 ALA C C 181.334 0.2 1 212 22 22 ALA CA C 54.991 0.2 1 213 22 22 ALA CB C 18.081 0.2 1 214 22 22 ALA N N 122.917 0.052 1 215 23 23 ILE H H 8.169 0.002 1 216 23 23 ILE HA H 3.733 0.02 1 217 23 23 ILE HB H 2.050 0.02 1 218 23 23 ILE HD1 H 0.846 0.02 1 219 23 23 ILE HG12 H 2.063 0.02 1 220 23 23 ILE HG13 H 1.007 0.02 1 221 23 23 ILE HG2 H 1.105 0.02 1 222 23 23 ILE C C 177.463 0.2 1 223 23 23 ILE CA C 65.940 0.2 1 224 23 23 ILE CB C 38.581 0.2 1 225 23 23 ILE CD1 C 14.420 0.2 1 226 23 23 ILE CG1 C 29.901 0.006 1 227 23 23 ILE CG2 C 18.945 0.2 1 228 23 23 ILE N N 121.645 0.053 1 229 24 24 GLU H H 8.350 0.001 1 230 24 24 GLU HA H 4.081 0.02 1 231 24 24 GLU HB2 H 2.184 0.02 1 232 24 24 GLU HB3 H 2.184 0.02 1 233 24 24 GLU HG2 H 2.329 0.02 1 234 24 24 GLU HG3 H 2.563 0.02 1 235 24 24 GLU C C 179.389 0.2 1 236 24 24 GLU CA C 59.584 0.2 1 237 24 24 GLU CB C 29.314 0.2 1 238 24 24 GLU CG C 36.805 0.001 1 239 24 24 GLU N N 119.790 0.002 1 240 25 25 ALA H H 8.146 0.003 1 241 25 25 ALA HA H 4.210 0.02 1 242 25 25 ALA HB H 1.597 0.02 1 243 25 25 ALA C C 180.628 0.2 1 244 25 25 ALA CA C 54.966 0.2 1 245 25 25 ALA CB C 17.711 0.2 1 246 25 25 ALA N N 120.994 0.2 1 247 26 26 ALA H H 7.828 0.001 1 248 26 26 ALA HA H 4.221 0.02 1 249 26 26 ALA HB H 1.680 0.02 1 250 26 26 ALA C C 179.951 0.2 1 251 26 26 ALA CA C 55.105 0.2 1 252 26 26 ALA CB C 17.903 0.2 1 253 26 26 ALA N N 122.691 0.028 1 254 27 27 ALA H H 8.566 0.003 1 255 27 27 ALA HA H 3.998 0.02 1 256 27 27 ALA HB H 1.569 0.02 1 257 27 27 ALA C C 180.772 0.2 1 258 27 27 ALA CA C 55.028 0.2 1 259 27 27 ALA CB C 18.154 0.2 1 260 27 27 ALA N N 120.168 0.025 1 261 28 28 LYS H H 8.131 0.001 1 262 28 28 LYS HA H 4.132 0.02 1 263 28 28 LYS HB2 H 1.971 0.02 1 264 28 28 LYS HB3 H 2.043 0.02 1 265 28 28 LYS HD2 H 1.762 0.02 1 266 28 28 LYS HD3 H 1.762 0.02 1 267 28 28 LYS HE2 H 3.040 0.02 1 268 28 28 LYS HE3 H 3.040 0.02 1 269 28 28 LYS HG2 H 1.595 0.02 1 270 28 28 LYS HG3 H 1.595 0.02 1 271 28 28 LYS C C 179.462 0.2 1 272 28 28 LYS CA C 59.061 0.2 1 273 28 28 LYS CB C 32.132 0.2 1 274 28 28 LYS CD C 28.974 0.2 1 275 28 28 LYS CE C 42.266 0.2 1 276 28 28 LYS CG C 25.267 0.2 1 277 28 28 LYS N N 118.714 0.026 1 278 29 29 LYS H H 7.628 0.002 1 279 29 29 LYS HA H 4.135 0.02 1 280 29 29 LYS HB2 H 2.028 0.02 1 281 29 29 LYS HB3 H 2.028 0.02 1 282 29 29 LYS HD2 H 1.772 0.02 1 283 29 29 LYS HD3 H 1.772 0.02 1 284 29 29 LYS HE2 H 3.037 0.02 1 285 29 29 LYS HE3 H 3.037 0.02 1 286 29 29 LYS HG2 H 1.522 0.02 1 287 29 29 LYS HG3 H 1.522 0.02 1 288 29 29 LYS C C 179.332 0.2 1 289 29 29 LYS CA C 59.227 0.2 1 290 29 29 LYS CB C 32.139 0.2 1 291 29 29 LYS CD C 29.139 0.2 1 292 29 29 LYS CE C 42.204 0.2 1 293 29 29 LYS CG C 25.518 0.2 1 294 29 29 LYS N N 118.640 0.015 1 295 30 30 LEU H H 7.699 0.001 1 296 30 30 LEU HA H 4.214 0.02 1 297 30 30 LEU HB2 H 2.109 0.02 1 298 30 30 LEU HB3 H 1.541 0.02 1 299 30 30 LEU HD1 H 0.921 0.02 1 300 30 30 LEU HD2 H 0.958 0.02 1 301 30 30 LEU HG H 1.954 0.02 1 302 30 30 LEU C C 178.817 0.2 1 303 30 30 LEU CA C 56.783 0.2 1 304 30 30 LEU CB C 41.988 0.2 1 305 30 30 LEU CD1 C 23.258 0.2 1 306 30 30 LEU CD2 C 26.291 0.2 1 307 30 30 LEU CG C 26.959 0.2 1 308 30 30 LEU N N 117.325 0.018 1 309 31 31 GLU H H 7.759 0.001 1 310 31 31 GLU HA H 4.116 0.02 1 311 31 31 GLU HB2 H 2.241 0.02 1 312 31 31 GLU HB3 H 2.241 0.02 1 313 31 31 GLU HG2 H 2.505 0.02 1 314 31 31 GLU HG3 H 2.394 0.02 1 315 31 31 GLU C C 177.272 0.2 1 316 31 31 GLU CA C 58.273 0.2 1 317 31 31 GLU CB C 29.959 0.2 1 318 31 31 GLU CG C 36.242 0.2 1 319 31 31 GLU N N 117.191 0.017 1 320 32 32 GLN H H 7.587 0.02 1 321 32 32 GLN HA H 4.344 0.02 1 322 32 32 GLN HB2 H 2.114 0.02 1 323 32 32 GLN HB3 H 2.343 0.02 1 324 32 32 GLN HE21 H 6.883 0.02 1 325 32 32 GLN HE22 H 7.513 0.02 1 326 32 32 GLN HG2 H 2.508 0.02 1 327 32 32 GLN HG3 H 2.574 0.02 1 328 32 32 GLN C C 176.199 0.2 1 329 32 32 GLN CA C 55.973 0.2 1 330 32 32 GLN CB C 29.176 0.001 1 331 32 32 GLN CG C 34.018 0.004 1 332 32 32 GLN N N 115.061 0.012 1 333 32 32 GLN NE2 N 111.709 0.007 1 334 33 33 LEU H H 7.419 0.02 1 335 33 33 LEU HA H 4.356 0.02 1 336 33 33 LEU HB2 H 1.510 0.02 1 337 33 33 LEU HB3 H 1.949 0.02 1 338 33 33 LEU HD1 H 1.013 0.02 1 339 33 33 LEU HD2 H 0.946 0.02 1 340 33 33 LEU HG H 1.883 0.02 1 341 33 33 LEU C C 176.262 0.2 1 342 33 33 LEU CA C 55.304 0.2 1 343 33 33 LEU CB C 42.914 0.004 1 344 33 33 LEU CD1 C 25.659 0.2 1 345 33 33 LEU CD2 C 23.371 0.2 1 346 33 33 LEU CG C 26.785 0.2 1 347 33 33 LEU N N 120.253 0.018 1 348 34 34 LYS H H 8.217 0.006 1 349 34 34 LYS HA H 4.767 0.02 1 350 34 34 LYS HB2 H 1.769 0.02 1 351 34 34 LYS HB3 H 1.884 0.02 1 352 34 34 LYS HD2 H 1.772 0.02 1 353 34 34 LYS HD3 H 1.772 0.02 1 354 34 34 LYS HE2 H 3.086 0.02 1 355 34 34 LYS HE3 H 3.086 0.02 1 356 34 34 LYS HG2 H 1.492 0.02 1 357 34 34 LYS HG3 H 1.492 0.02 1 358 34 34 LYS C C 173.854 0.2 1 359 34 34 LYS CA C 53.412 0.2 1 360 34 34 LYS CB C 33.369 0.020 1 361 34 34 LYS CD C 29.139 0.2 1 362 34 34 LYS CE C 42.311 0.2 1 363 34 34 LYS CG C 24.464 0.2 1 364 34 34 LYS N N 121.684 0.022 1 365 35 35 PRO HA H 4.507 0.02 1 366 35 35 PRO HB2 H 2.029 0.02 1 367 35 35 PRO HB3 H 2.344 0.02 1 368 35 35 PRO HD2 H 3.753 0.02 1 369 35 35 PRO HD3 H 3.753 0.02 1 370 35 35 PRO HG2 H 1.945 0.02 1 371 35 35 PRO HG3 H 2.136 0.02 1 372 35 35 PRO C C 176.580 0.2 1 373 35 35 PRO CA C 63.028 0.2 1 374 35 35 PRO CB C 32.291 0.002 1 375 35 35 PRO CD C 50.670 0.2 1 376 35 35 PRO CG C 27.597 0.018 1 377 36 36 ARG H H 8.588 0.002 1 378 36 36 ARG HA H 4.361 0.02 1 379 36 36 ARG HB2 H 1.916 0.02 1 380 36 36 ARG HB3 H 1.916 0.02 1 381 36 36 ARG HD2 H 3.307 0.02 1 382 36 36 ARG HD3 H 3.307 0.02 1 383 36 36 ARG HG2 H 1.785 0.02 1 384 36 36 ARG HG3 H 1.785 0.02 1 385 36 36 ARG C C 176.082 0.2 1 386 36 36 ARG CA C 56.287 0.2 1 387 36 36 ARG CB C 31.109 0.2 1 388 36 36 ARG CD C 43.618 0.2 1 389 36 36 ARG CG C 27.355 0.2 1 390 36 36 ARG N N 121.503 0.074 1 391 37 37 ALA H H 8.353 0.002 1 392 37 37 ALA HA H 4.381 0.02 1 393 37 37 ALA HB H 1.454 0.02 1 394 37 37 ALA C C 177.283 0.2 1 395 37 37 ALA CA C 52.660 0.2 1 396 37 37 ALA CB C 19.436 0.2 1 397 37 37 ALA N N 125.415 0.034 1 398 38 38 LYS H H 8.236 0.001 1 399 38 38 LYS HA H 4.705 0.02 1 400 38 38 LYS HB2 H 1.792 0.02 1 401 38 38 LYS HB3 H 1.911 0.02 1 402 38 38 LYS HD2 H 1.782 0.02 1 403 38 38 LYS HD3 H 1.782 0.02 1 404 38 38 LYS HE2 H 3.099 0.02 1 405 38 38 LYS HE3 H 3.099 0.02 1 406 38 38 LYS HG2 H 1.546 0.02 1 407 38 38 LYS HG3 H 1.546 0.02 1 408 38 38 LYS C C 174.543 0.2 1 409 38 38 LYS CA C 54.158 0.2 1 410 38 38 LYS CB C 32.889 0.001 1 411 38 38 LYS CD C 29.232 0.2 1 412 38 38 LYS CE C 42.235 0.2 1 413 38 38 LYS CG C 24.527 0.2 1 414 38 38 LYS N N 121.641 0.020 1 415 39 39 PRO HA H 4.501 0.02 1 416 39 39 PRO HB2 H 2.024 0.02 1 417 39 39 PRO HB3 H 2.408 0.02 1 418 39 39 PRO HD2 H 3.721 0.02 1 419 39 39 PRO HD3 H 3.892 0.02 1 420 39 39 PRO HG2 H 2.136 0.02 1 421 39 39 PRO HG3 H 2.136 0.02 1 422 39 39 PRO C C 177.002 0.2 1 423 39 39 PRO CA C 63.390 0.2 1 424 39 39 PRO CB C 32.203 0.003 1 425 39 39 PRO CD C 50.737 0.003 1 426 39 39 PRO CG C 27.579 0.2 1 427 40 40 LYS H H 8.437 0.002 1 428 40 40 LYS HA H 4.319 0.02 1 429 40 40 LYS HB2 H 1.909 0.02 1 430 40 40 LYS HB3 H 1.909 0.02 1 431 40 40 LYS HD2 H 1.780 0.02 1 432 40 40 LYS HD3 H 1.780 0.02 1 433 40 40 LYS HE2 H 3.099 0.02 1 434 40 40 LYS HE3 H 3.099 0.02 1 435 40 40 LYS HG2 H 1.541 0.02 1 436 40 40 LYS HG3 H 1.541 0.02 1 437 40 40 LYS C C 176.870 0.2 1 438 40 40 LYS CA C 57.019 0.2 1 439 40 40 LYS CB C 32.975 0.2 1 440 40 40 LYS CD C 29.152 0.2 1 441 40 40 LYS CE C 42.235 0.2 1 442 40 40 LYS CG C 24.747 0.2 1 443 40 40 LYS N N 121.106 0.031 1 444 41 41 GLU H H 8.524 0.005 1 445 41 41 GLU HA H 4.371 0.02 1 446 41 41 GLU HB2 H 2.035 0.02 1 447 41 41 GLU HB3 H 2.198 0.02 1 448 41 41 GLU HG2 H 2.367 0.02 1 449 41 41 GLU HG3 H 2.367 0.02 1 450 41 41 GLU C C 176.436 0.2 1 451 41 41 GLU CA C 56.735 0.2 1 452 41 41 GLU CB C 30.149 0.017 1 453 41 41 GLU CG C 36.313 0.2 1 454 41 41 GLU N N 120.712 0.038 1 455 42 42 ALA H H 8.272 0.003 1 456 42 42 ALA HA H 4.364 0.02 1 457 42 42 ALA HB H 1.496 0.02 1 458 42 42 ALA C C 177.401 0.2 1 459 42 42 ALA CA C 53.067 0.2 1 460 42 42 ALA CB C 19.321 0.2 1 461 42 42 ALA N N 123.534 0.021 1 462 43 43 ASP H H 8.201 0.002 1 463 43 43 ASP HA H 4.647 0.02 1 464 43 43 ASP HB2 H 2.788 0.02 1 465 43 43 ASP HB3 H 2.788 0.02 1 466 43 43 ASP C C 176.588 0.2 1 467 43 43 ASP CA C 54.607 0.2 1 468 43 43 ASP CB C 41.411 0.2 1 469 43 43 ASP N N 118.633 0.008 1 470 44 44 GLU H H 8.408 0.001 1 471 44 44 GLU HA H 4.345 0.02 1 472 44 44 GLU HB2 H 2.081 0.02 1 473 44 44 GLU HB3 H 2.198 0.02 1 474 44 44 GLU HG2 H 2.367 0.02 1 475 44 44 GLU HG3 H 2.367 0.02 1 476 44 44 GLU C C 176.977 0.2 1 477 44 44 GLU CA C 57.370 0.2 1 478 44 44 GLU CB C 30.135 0.004 1 479 44 44 GLU CG C 36.313 0.2 1 480 44 44 GLU N N 121.153 0.026 1 481 45 45 SER H H 8.389 0.004 1 482 45 45 SER HA H 4.429 0.02 1 483 45 45 SER HB2 H 3.976 0.02 1 484 45 45 SER HB3 H 3.976 0.02 1 485 45 45 SER C C 174.724 0.2 1 486 45 45 SER CA C 59.425 0.2 1 487 45 45 SER CB C 63.805 0.2 1 488 45 45 SER N N 116.579 0.032 1 489 46 46 LEU H H 8.071 0.001 1 490 46 46 LEU HA H 4.435 0.02 1 491 46 46 LEU HB2 H 1.700 0.02 1 492 46 46 LEU HB3 H 1.700 0.02 1 493 46 46 LEU HD1 H 0.982 0.02 1 494 46 46 LEU HD2 H 0.919 0.02 1 495 46 46 LEU HG H 1.708 0.02 1 496 46 46 LEU C C 177.423 0.2 1 497 46 46 LEU CA C 55.389 0.2 1 498 46 46 LEU CB C 42.518 0.2 1 499 46 46 LEU CD1 C 25.194 0.2 1 500 46 46 LEU CD2 C 23.770 0.2 1 501 46 46 LEU CG C 27.161 0.2 1 502 46 46 LEU N N 122.869 0.008 1 503 47 47 ASN H H 8.571 0.007 1 504 47 47 ASN HA H 4.792 0.02 1 505 47 47 ASN HB2 H 3.020 0.02 1 506 47 47 ASN HB3 H 3.050 0.02 1 507 47 47 ASN HD21 H 6.938 0.02 1 508 47 47 ASN HD22 H 7.680 0.02 1 509 47 47 ASN C C 176.093 0.2 1 510 47 47 ASN CA C 53.346 0.2 1 511 47 47 ASN CB C 38.514 0.005 1 512 47 47 ASN N N 120.584 0.034 1 513 47 47 ASN ND2 N 111.667 0.002 1 514 48 48 PHE H H 8.389 0.001 1 515 48 48 PHE HA H 4.400 0.02 1 516 48 48 PHE HB2 H 3.109 0.02 1 517 48 48 PHE HB3 H 3.326 0.02 1 518 48 48 PHE HD1 H 7.321 0.02 3 519 48 48 PHE HD2 H 7.321 0.02 3 520 48 48 PHE HE1 H 7.337 0.02 3 521 48 48 PHE HE2 H 7.337 0.02 3 522 48 48 PHE HZ H 7.183 0.02 1 523 48 48 PHE C C 176.740 0.2 1 524 48 48 PHE CA C 61.087 0.2 1 525 48 48 PHE CB C 39.243 0.004 1 526 48 48 PHE CD1 C 131.935 0.2 3 527 48 48 PHE CD2 C 131.935 0.2 3 528 48 48 PHE CE1 C 131.001 0.2 3 529 48 48 PHE CE2 C 131.001 0.2 3 530 48 48 PHE CZ C 129.086 0.2 1 531 48 48 PHE N N 120.940 0.019 1 532 49 49 GLU H H 8.969 0.02 1 533 49 49 GLU HA H 3.652 0.02 1 534 49 49 GLU HB2 H 1.958 0.02 1 535 49 49 GLU HB3 H 1.958 0.02 1 536 49 49 GLU HG2 H 2.603 0.02 1 537 49 49 GLU HG3 H 2.384 0.02 1 538 49 49 GLU C C 178.327 0.2 1 539 49 49 GLU CA C 61.398 0.2 1 540 49 49 GLU CB C 28.909 0.2 1 541 49 49 GLU CG C 37.563 0.007 1 542 49 49 GLU N N 119.424 0.023 1 543 50 50 GLU H H 8.265 0.003 1 544 50 50 GLU HA H 4.019 0.02 1 545 50 50 GLU HB2 H 2.161 0.02 1 546 50 50 GLU HB3 H 2.264 0.02 1 547 50 50 GLU HG2 H 2.344 0.02 1 548 50 50 GLU HG3 H 2.504 0.02 1 549 50 50 GLU C C 179.056 0.2 1 550 50 50 GLU CA C 59.715 0.2 1 551 50 50 GLU CB C 29.992 0.2 1 552 50 50 GLU CG C 36.829 0.007 1 553 50 50 GLU N N 117.969 0.023 1 554 51 51 GLN H H 8.215 0.005 1 555 51 51 GLN HA H 4.101 0.02 1 556 51 51 GLN HB2 H 2.320 0.02 1 557 51 51 GLN HB3 H 2.143 0.02 1 558 51 51 GLN HE21 H 7.301 0.02 1 559 51 51 GLN HE22 H 6.843 0.02 1 560 51 51 GLN HG2 H 2.603 0.02 1 561 51 51 GLN HG3 H 2.431 0.02 1 562 51 51 GLN C C 179.948 0.2 1 563 51 51 GLN CA C 59.487 0.2 1 564 51 51 GLN CB C 28.819 0.007 1 565 51 51 GLN CG C 34.625 0.001 1 566 51 51 GLN N N 118.454 0.015 1 567 51 51 GLN NE2 N 111.659 0.002 1 568 52 52 ILE H H 8.314 0.001 1 569 52 52 ILE HA H 3.678 0.02 1 570 52 52 ILE HB H 1.931 0.02 1 571 52 52 ILE HD1 H 0.668 0.02 1 572 52 52 ILE HG12 H 0.988 0.02 1 573 52 52 ILE HG13 H 1.295 0.02 1 574 52 52 ILE HG2 H 0.826 0.02 1 575 52 52 ILE C C 177.179 0.2 1 576 52 52 ILE CA C 63.830 0.2 1 577 52 52 ILE CB C 36.724 0.2 1 578 52 52 ILE CD1 C 12.269 0.2 1 579 52 52 ILE CG1 C 28.576 0.011 1 580 52 52 ILE CG2 C 17.881 0.2 1 581 52 52 ILE N N 120.333 0.030 1 582 53 53 LEU H H 8.098 0.001 1 583 53 53 LEU HA H 4.014 0.02 1 584 53 53 LEU HB2 H 1.768 0.02 1 585 53 53 LEU HB3 H 1.908 0.02 1 586 53 53 LEU HD1 H 1.044 0.02 1 587 53 53 LEU HD2 H 1.001 0.02 1 588 53 53 LEU HG H 1.785 0.02 1 589 53 53 LEU C C 178.790 0.2 1 590 53 53 LEU CA C 58.586 0.2 1 591 53 53 LEU CB C 41.823 0.2 1 592 53 53 LEU CD1 C 24.597 0.2 1 593 53 53 LEU CD2 C 25.023 0.2 1 594 53 53 LEU CG C 27.355 0.2 1 595 53 53 LEU N N 120.875 0.019 1 596 54 54 GLU H H 8.422 0.02 1 597 54 54 GLU HA H 4.072 0.02 1 598 54 54 GLU HB2 H 2.160 0.02 1 599 54 54 GLU HB3 H 2.160 0.02 1 600 54 54 GLU HG2 H 2.453 0.02 1 601 54 54 GLU HG3 H 2.453 0.02 1 602 54 54 GLU C C 179.768 0.2 1 603 54 54 GLU CA C 59.479 0.2 1 604 54 54 GLU CB C 29.303 0.2 1 605 54 54 GLU CG C 36.181 0.2 1 606 54 54 GLU N N 117.645 0.016 1 607 55 55 ALA H H 8.133 0.001 1 608 55 55 ALA HA H 4.359 0.02 1 609 55 55 ALA HB H 1.606 0.02 1 610 55 55 ALA C C 180.355 0.2 1 611 55 55 ALA CA C 55.067 0.2 1 612 55 55 ALA CB C 18.052 0.2 1 613 55 55 ALA N N 121.835 0.019 1 614 56 56 ALA H H 8.884 0.003 1 615 56 56 ALA HA H 4.046 0.02 1 616 56 56 ALA HB H 1.474 0.02 1 617 56 56 ALA C C 179.081 0.2 1 618 56 56 ALA CA C 55.375 0.2 1 619 56 56 ALA CB C 18.025 0.2 1 620 56 56 ALA N N 121.856 0.065 1 621 57 57 LYS H H 8.553 0.002 1 622 57 57 LYS HA H 3.898 0.02 1 623 57 57 LYS HB2 H 2.033 0.02 1 624 57 57 LYS HB3 H 2.033 0.02 1 625 57 57 LYS HD2 H 1.754 0.02 1 626 57 57 LYS HD3 H 1.754 0.02 1 627 57 57 LYS HE2 H 2.876 0.02 1 628 57 57 LYS HE3 H 2.876 0.02 1 629 57 57 LYS HG2 H 1.550 0.02 1 630 57 57 LYS HG3 H 1.550 0.02 1 631 57 57 LYS C C 180.038 0.2 1 632 57 57 LYS CA C 60.760 0.2 1 633 57 57 LYS CB C 32.232 0.2 1 634 57 57 LYS CD C 29.980 0.2 1 635 57 57 LYS CE C 42.084 0.2 1 636 57 57 LYS CG C 26.589 0.2 1 637 57 57 LYS N N 117.953 0.015 1 638 58 58 SER H H 8.204 0.001 1 639 58 58 SER HA H 4.412 0.02 1 640 58 58 SER HB2 H 4.250 0.02 1 641 58 58 SER HB3 H 4.091 0.02 1 642 58 58 SER C C 180.061 0.2 1 643 58 58 SER CA C 62.186 0.2 1 644 58 58 SER CB C 62.975 0.004 1 645 58 58 SER N N 116.115 0.020 1 646 59 59 ILE H H 8.485 0.001 1 647 59 59 ILE HA H 3.701 0.02 1 648 59 59 ILE HB H 2.116 0.02 1 649 59 59 ILE HD1 H 0.969 0.02 1 650 59 59 ILE HG12 H 0.971 0.02 1 651 59 59 ILE HG13 H 2.066 0.02 1 652 59 59 ILE HG2 H 1.037 0.02 1 653 59 59 ILE C C 177.505 0.2 1 654 59 59 ILE CA C 66.090 0.2 1 655 59 59 ILE CB C 37.970 0.2 1 656 59 59 ILE CD1 C 15.638 0.2 1 657 59 59 ILE CG1 C 30.987 0.2 1 658 59 59 ILE CG2 C 18.813 0.2 1 659 59 59 ILE N N 123.138 0.028 1 660 60 60 ALA H H 8.357 0.001 1 661 60 60 ALA HA H 4.132 0.02 1 662 60 60 ALA HB H 1.390 0.02 1 663 60 60 ALA C C 178.923 0.2 1 664 60 60 ALA CA C 55.156 0.2 1 665 60 60 ALA CB C 17.403 0.2 1 666 60 60 ALA N N 123.334 0.011 1 667 61 61 ALA H H 8.154 0.001 1 668 61 61 ALA HA H 4.204 0.02 1 669 61 61 ALA HB H 1.602 0.02 1 670 61 61 ALA C C 180.770 0.2 1 671 61 61 ALA CA C 55.065 0.2 1 672 61 61 ALA CB C 17.949 0.2 1 673 61 61 ALA N N 119.692 0.004 1 674 62 62 ALA H H 8.098 0.001 1 675 62 62 ALA HA H 4.400 0.02 1 676 62 62 ALA HB H 1.604 0.02 1 677 62 62 ALA C C 180.469 0.2 1 678 62 62 ALA CA C 54.938 0.2 1 679 62 62 ALA CB C 18.329 0.2 1 680 62 62 ALA N N 121.273 0.017 1 681 63 63 THR H H 9.273 0.004 1 682 63 63 THR HA H 4.009 0.02 1 683 63 63 THR HB H 4.131 0.02 1 684 63 63 THR HG2 H 1.285 0.02 1 685 63 63 THR C C 177.552 0.2 1 686 63 63 THR CA C 65.960 0.2 1 687 63 63 THR CB C 68.420 0.2 1 688 63 63 THR CG2 C 24.096 0.2 1 689 63 63 THR N N 113.232 0.015 1 690 64 64 SER H H 8.154 0.02 1 691 64 64 SER HA H 4.173 0.02 1 692 64 64 SER HB2 H 4.137 0.02 1 693 64 64 SER HB3 H 4.137 0.02 1 694 64 64 SER C C 176.596 0.2 1 695 64 64 SER CA C 62.410 0.2 1 696 64 64 SER CB C 62.679 0.2 1 697 64 64 SER N N 117.991 0.2 1 698 65 65 ALA H H 7.647 0.02 1 699 65 65 ALA HA H 4.148 0.02 1 700 65 65 ALA HB H 1.641 0.02 1 701 65 65 ALA C C 180.775 0.2 1 702 65 65 ALA CA C 55.221 0.2 1 703 65 65 ALA CB C 17.683 0.2 1 704 65 65 ALA N N 121.344 0.009 1 705 66 66 LEU H H 8.395 0.001 1 706 66 66 LEU HA H 3.992 0.02 1 707 66 66 LEU HB2 H 2.371 0.02 1 708 66 66 LEU HB3 H 1.660 0.02 1 709 66 66 LEU HD1 H 1.015 0.02 1 710 66 66 LEU HD2 H 1.142 0.02 1 711 66 66 LEU HG H 1.636 0.02 1 712 66 66 LEU C C 177.867 0.2 1 713 66 66 LEU CA C 58.608 0.2 1 714 66 66 LEU CB C 42.587 0.2 1 715 66 66 LEU CD1 C 25.227 0.2 1 716 66 66 LEU CD2 C 28.922 0.2 1 717 66 66 LEU CG C 26.708 0.2 1 718 66 66 LEU N N 120.493 0.023 1 719 67 67 VAL H H 8.301 0.001 1 720 67 67 VAL HA H 3.651 0.02 1 721 67 67 VAL HB H 2.219 0.02 1 722 67 67 VAL HG1 H 1.106 0.02 1 723 67 67 VAL HG2 H 1.100 0.02 1 724 67 67 VAL C C 178.481 0.2 1 725 67 67 VAL CA C 67.426 0.2 1 726 67 67 VAL CB C 31.441 0.2 1 727 67 67 VAL CG1 C 23.133 0.2 1 728 67 67 VAL CG2 C 23.439 0.2 1 729 67 67 VAL N N 117.866 0.020 1 730 68 68 LYS H H 8.371 0.001 1 731 68 68 LYS HA H 4.069 0.02 1 732 68 68 LYS HB2 H 1.959 0.02 1 733 68 68 LYS HB3 H 1.959 0.02 1 734 68 68 LYS HD2 H 1.745 0.02 1 735 68 68 LYS HD3 H 1.745 0.02 1 736 68 68 LYS HE2 H 2.970 0.02 1 737 68 68 LYS HE3 H 2.970 0.02 1 738 68 68 LYS HG2 H 1.751 0.02 1 739 68 68 LYS HG3 H 1.412 0.02 1 740 68 68 LYS C C 180.053 0.2 1 741 68 68 LYS CA C 60.686 0.2 1 742 68 68 LYS CB C 32.281 0.2 1 743 68 68 LYS CD C 29.560 0.2 1 744 68 68 LYS CE C 42.180 0.2 1 745 68 68 LYS CG C 26.458 0.003 1 746 68 68 LYS N N 120.379 0.001 1 747 69 69 ALA H H 8.464 0.001 1 748 69 69 ALA HA H 4.342 0.02 1 749 69 69 ALA HB H 1.617 0.02 1 750 69 69 ALA C C 180.265 0.2 1 751 69 69 ALA CA C 55.109 0.2 1 752 69 69 ALA CB C 17.308 0.2 1 753 69 69 ALA N N 123.696 0.024 1 754 70 70 ALA H H 8.700 0.002 1 755 70 70 ALA HA H 4.248 0.02 1 756 70 70 ALA HB H 1.591 0.02 1 757 70 70 ALA C C 178.860 0.2 1 758 70 70 ALA CA C 55.053 0.2 1 759 70 70 ALA CB C 17.975 0.2 1 760 70 70 ALA N N 123.461 0.030 1 761 71 71 SER H H 8.256 0.001 1 762 71 71 SER HA H 4.267 0.02 1 763 71 71 SER HB2 H 4.097 0.02 1 764 71 71 SER HB3 H 4.154 0.02 1 765 71 71 SER C C 178.880 0.2 1 766 71 71 SER CA C 61.818 0.2 1 767 71 71 SER CB C 62.797 0.012 1 768 71 71 SER N N 113.775 0.022 1 769 72 72 ALA H H 7.895 0.02 1 770 72 72 ALA HA H 4.269 0.02 1 771 72 72 ALA HB H 1.651 0.02 1 772 72 72 ALA C C 180.226 0.2 1 773 72 72 ALA CA C 55.050 0.2 1 774 72 72 ALA CB C 17.998 0.2 1 775 72 72 ALA N N 123.566 0.015 1 776 73 73 ALA H H 8.384 0.004 1 777 73 73 ALA HA H 4.145 0.02 1 778 73 73 ALA HB H 1.568 0.02 1 779 73 73 ALA C C 179.339 0.2 1 780 73 73 ALA CA C 55.002 0.2 1 781 73 73 ALA CB C 17.780 0.2 1 782 73 73 ALA N N 121.475 0.029 1 783 74 74 GLN H H 8.448 0.002 1 784 74 74 GLN HA H 4.179 0.02 1 785 74 74 GLN HB2 H 2.495 0.02 1 786 74 74 GLN HB3 H 2.129 0.02 1 787 74 74 GLN HE21 H 7.263 0.02 1 788 74 74 GLN HE22 H 6.405 0.02 1 789 74 74 GLN HG2 H 2.458 0.02 1 790 74 74 GLN HG3 H 2.458 0.02 1 791 74 74 GLN C C 177.450 0.2 1 792 74 74 GLN CA C 60.225 0.2 1 793 74 74 GLN CB C 27.176 0.2 1 794 74 74 GLN CG C 33.827 0.2 1 795 74 74 GLN N N 118.377 0.035 1 796 74 74 GLN NE2 N 106.335 0.2 1 797 75 75 ARG H H 8.090 0.002 1 798 75 75 ARG HA H 4.064 0.02 1 799 75 75 ARG HB2 H 2.020 0.02 1 800 75 75 ARG HB3 H 2.071 0.02 1 801 75 75 ARG HD2 H 3.321 0.02 1 802 75 75 ARG HD3 H 3.321 0.02 1 803 75 75 ARG HG2 H 1.971 0.02 1 804 75 75 ARG HG3 H 1.797 0.02 1 805 75 75 ARG C C 179.220 0.2 1 806 75 75 ARG CA C 59.310 0.2 1 807 75 75 ARG CB C 30.081 0.003 1 808 75 75 ARG CD C 43.590 0.2 1 809 75 75 ARG CG C 27.720 0.003 1 810 75 75 ARG N N 117.867 0.019 1 811 76 76 GLU H H 7.992 0.001 1 812 76 76 GLU HA H 4.245 0.02 1 813 76 76 GLU HB2 H 2.240 0.02 1 814 76 76 GLU HB3 H 2.240 0.02 1 815 76 76 GLU HG2 H 2.485 0.02 1 816 76 76 GLU HG3 H 2.329 0.02 1 817 76 76 GLU C C 178.378 0.2 1 818 76 76 GLU CA C 59.289 0.2 1 819 76 76 GLU CB C 29.901 0.2 1 820 76 76 GLU CG C 36.807 0.003 1 821 76 76 GLU N N 119.964 0.031 1 822 77 77 LEU H H 8.043 0.001 1 823 77 77 LEU HA H 4.135 0.02 1 824 77 77 LEU HB2 H 1.346 0.02 1 825 77 77 LEU HB3 H 1.346 0.02 1 826 77 77 LEU HD1 H 0.833 0.02 1 827 77 77 LEU HD2 H 0.822 0.02 1 828 77 77 LEU HG H 1.959 0.02 1 829 77 77 LEU C C 179.841 0.2 1 830 77 77 LEU CA C 57.894 0.2 1 831 77 77 LEU CB C 42.167 0.2 1 832 77 77 LEU CD1 C 23.724 0.2 1 833 77 77 LEU CD2 C 26.195 0.2 1 834 77 77 LEU CG C 27.059 0.2 1 835 77 77 LEU N N 119.265 0.018 1 836 78 78 VAL H H 8.123 0.002 1 837 78 78 VAL HA H 4.027 0.02 1 838 78 78 VAL HB H 2.265 0.02 1 839 78 78 VAL HG1 H 1.153 0.02 1 840 78 78 VAL HG2 H 1.079 0.02 1 841 78 78 VAL C C 179.580 0.2 1 842 78 78 VAL CA C 65.531 0.2 1 843 78 78 VAL CB C 32.172 0.2 1 844 78 78 VAL CG1 C 22.639 0.2 1 845 78 78 VAL CG2 C 21.376 0.2 1 846 78 78 VAL N N 119.466 0.047 1 847 79 79 ALA H H 8.347 0.005 1 848 79 79 ALA HA H 4.267 0.02 1 849 79 79 ALA HB H 1.644 0.02 1 850 79 79 ALA C C 179.816 0.2 1 851 79 79 ALA CA C 55.014 0.2 1 852 79 79 ALA CB C 18.280 0.2 1 853 79 79 ALA N N 124.456 0.028 1 854 80 80 GLN H H 8.112 0.02 1 855 80 80 GLN HA H 4.379 0.02 1 856 80 80 GLN HB2 H 2.162 0.02 1 857 80 80 GLN HB3 H 2.329 0.02 1 858 80 80 GLN HE21 H 6.842 0.02 1 859 80 80 GLN HE22 H 7.441 0.02 1 860 80 80 GLN HG2 H 2.726 0.02 1 861 80 80 GLN HG3 H 2.550 0.02 1 862 80 80 GLN C C 177.150 0.2 1 863 80 80 GLN CA C 56.627 0.2 1 864 80 80 GLN CB C 29.397 0.2 1 865 80 80 GLN CG C 34.282 0.002 1 866 80 80 GLN N N 114.864 0.001 1 867 80 80 GLN NE2 N 110.397 0.2 1 868 81 81 GLY H H 8.159 0.001 1 869 81 81 GLY HA2 H 4.022 0.02 1 870 81 81 GLY HA3 H 4.109 0.02 1 871 81 81 GLY C C 175.184 0.2 1 872 81 81 GLY CA C 46.165 0.2 1 873 81 81 GLY N N 108.032 0.016 1 874 82 82 LYS H H 8.230 0.002 1 875 82 82 LYS HA H 4.323 0.02 1 876 82 82 LYS HB2 H 1.909 0.02 1 877 82 82 LYS HB3 H 1.909 0.02 1 878 82 82 LYS HD2 H 1.780 0.02 1 879 82 82 LYS HD3 H 1.780 0.02 1 880 82 82 LYS HE2 H 3.086 0.02 1 881 82 82 LYS HE3 H 3.086 0.02 1 882 82 82 LYS HG2 H 1.541 0.02 1 883 82 82 LYS HG3 H 1.541 0.02 1 884 82 82 LYS C C 176.669 0.2 1 885 82 82 LYS CA C 57.095 0.2 1 886 82 82 LYS CB C 32.975 0.2 1 887 82 82 LYS CD C 29.152 0.2 1 888 82 82 LYS CE C 42.311 0.2 1 889 82 82 LYS CG C 24.747 0.2 1 890 82 82 LYS N N 119.057 0.010 1 891 83 83 VAL H H 7.440 0.004 1 892 83 83 VAL HA H 4.282 0.02 1 893 83 83 VAL HB H 1.933 0.02 1 894 83 83 VAL HG1 H 0.886 0.02 1 895 83 83 VAL HG2 H 0.816 0.02 1 896 83 83 VAL C C 176.037 0.2 1 897 83 83 VAL CA C 61.567 0.2 1 898 83 83 VAL CB C 34.303 0.2 1 899 83 83 VAL CG1 C 21.425 0.2 1 900 83 83 VAL CG2 C 20.979 0.2 1 901 83 83 VAL N N 115.853 0.006 1 902 84 84 GLY H H 8.723 0.006 1 903 84 84 GLY HA2 H 4.106 0.02 1 904 84 84 GLY HA3 H 3.959 0.02 1 905 84 84 GLY C C 173.772 0.2 1 906 84 84 GLY CA C 45.808 0.011 1 907 84 84 GLY N N 111.791 0.023 1 908 85 85 ALA H H 8.311 0.006 1 909 85 85 ALA HA H 4.529 0.02 1 910 85 85 ALA HB H 1.472 0.02 1 911 85 85 ALA C C 177.402 0.2 1 912 85 85 ALA CA C 52.715 0.2 1 913 85 85 ALA CB C 20.283 0.2 1 914 85 85 ALA N N 122.533 0.032 1 915 86 86 ILE H H 7.935 0.001 1 916 86 86 ILE HA H 4.626 0.02 1 917 86 86 ILE HB H 1.965 0.02 1 918 86 86 ILE HD1 H 0.940 0.02 1 919 86 86 ILE HG12 H 1.212 0.02 1 920 86 86 ILE HG13 H 1.586 0.02 1 921 86 86 ILE HG2 H 0.999 0.02 1 922 86 86 ILE C C 175.557 0.2 1 923 86 86 ILE CA C 58.338 0.2 1 924 86 86 ILE CB C 39.335 0.2 1 925 86 86 ILE CD1 C 12.756 0.2 1 926 86 86 ILE CG1 C 26.968 0.2 1 927 86 86 ILE CG2 C 17.518 0.2 1 928 86 86 ILE N N 119.563 0.032 1 929 87 87 PRO HA H 4.402 0.02 1 930 87 87 PRO HB2 H 2.065 0.02 1 931 87 87 PRO HB3 H 2.452 0.02 1 932 87 87 PRO HD2 H 4.036 0.02 1 933 87 87 PRO HD3 H 4.116 0.02 1 934 87 87 PRO HG2 H 2.188 0.02 1 935 87 87 PRO HG3 H 2.073 0.02 1 936 87 87 PRO C C 178.077 0.2 1 937 87 87 PRO CA C 64.873 0.2 1 938 87 87 PRO CB C 32.162 0.2 1 939 87 87 PRO CD C 51.242 0.001 1 940 87 87 PRO CG C 27.496 0.2 1 941 88 88 ALA H H 8.339 0.003 1 942 88 88 ALA HA H 4.306 0.02 1 943 88 88 ALA HB H 1.490 0.02 1 944 88 88 ALA C C 178.107 0.2 1 945 88 88 ALA CA C 53.988 0.2 1 946 88 88 ALA CB C 18.826 0.2 1 947 88 88 ALA N N 120.828 0.011 1 948 89 89 ASN H H 8.112 0.001 1 949 89 89 ASN HA H 4.980 0.02 1 950 89 89 ASN HB2 H 2.827 0.02 1 951 89 89 ASN HB3 H 3.163 0.02 1 952 89 89 ASN HD21 H 7.707 0.02 1 953 89 89 ASN HD22 H 6.929 0.02 1 954 89 89 ASN C C 175.279 0.2 1 955 89 89 ASN CA C 52.788 0.2 1 956 89 89 ASN CB C 38.715 0.004 1 957 89 89 ASN N N 115.600 0.024 1 958 89 89 ASN ND2 N 111.281 0.2 1 959 90 90 ALA H H 7.942 0.002 1 960 90 90 ALA HA H 4.316 0.02 1 961 90 90 ALA HB H 1.570 0.02 1 962 90 90 ALA C C 179.352 0.2 1 963 90 90 ALA CA C 54.993 0.2 1 964 90 90 ALA CB C 19.244 0.2 1 965 90 90 ALA N N 123.421 0.026 1 966 91 91 LEU H H 8.337 0.009 1 967 91 91 LEU HA H 4.372 0.02 1 968 91 91 LEU HB2 H 1.748 0.02 1 969 91 91 LEU HB3 H 1.802 0.02 1 970 91 91 LEU HD1 H 1.018 0.02 1 971 91 91 LEU HD2 H 0.957 0.02 1 972 91 91 LEU HG H 1.743 0.02 1 973 91 91 LEU C C 178.549 0.2 1 974 91 91 LEU CA C 56.982 0.2 1 975 91 91 LEU CB C 41.756 0.004 1 976 91 91 LEU CD1 C 24.891 0.2 1 977 91 91 LEU CD2 C 24.003 0.2 1 978 91 91 LEU CG C 27.248 0.2 1 979 91 91 LEU N N 119.697 0.029 1 980 92 92 ASP H H 8.146 0.003 1 981 92 92 ASP HA H 4.630 0.02 1 982 92 92 ASP HB2 H 2.810 0.02 1 983 92 92 ASP HB3 H 2.810 0.02 1 984 92 92 ASP C C 177.995 0.2 1 985 92 92 ASP CA C 56.165 0.2 1 986 92 92 ASP CB C 41.323 0.2 1 987 92 92 ASP N N 121.181 0.019 1 988 93 93 ASP H H 8.817 0.007 1 989 93 93 ASP HA H 4.700 0.02 1 990 93 93 ASP HB2 H 2.792 0.02 1 991 93 93 ASP HB3 H 2.924 0.02 1 992 93 93 ASP C C 178.889 0.2 1 993 93 93 ASP CA C 56.783 0.2 1 994 93 93 ASP CB C 40.709 0.002 1 995 93 93 ASP N N 121.662 0.028 1 996 94 94 GLY H H 8.677 0.02 1 997 94 94 GLY HA2 H 4.038 0.02 1 998 94 94 GLY HA3 H 4.203 0.02 1 999 94 94 GLY C C 176.024 0.2 1 1000 94 94 GLY CA C 47.127 0.001 1 1001 94 94 GLY N N 110.300 0.029 1 1002 95 95 GLN H H 8.385 0.001 1 1003 95 95 GLN HA H 4.249 0.02 1 1004 95 95 GLN HB2 H 2.326 0.02 1 1005 95 95 GLN HB3 H 2.326 0.02 1 1006 95 95 GLN HE21 H 7.576 0.02 1 1007 95 95 GLN HE22 H 6.883 0.02 1 1008 95 95 GLN HG2 H 2.632 0.02 1 1009 95 95 GLN HG3 H 2.514 0.02 1 1010 95 95 GLN C C 179.026 0.2 1 1011 95 95 GLN CA C 58.755 0.2 1 1012 95 95 GLN CB C 28.644 0.2 1 1013 95 95 GLN CG C 34.292 0.001 1 1014 95 95 GLN N N 121.740 0.034 1 1015 95 95 GLN NE2 N 111.692 0.010 1 1016 96 96 TRP H H 8.674 0.002 1 1017 96 96 TRP HA H 4.441 0.02 1 1018 96 96 TRP HB2 H 3.516 0.02 1 1019 96 96 TRP HB3 H 3.615 0.02 1 1020 96 96 TRP HD1 H 7.467 0.02 1 1021 96 96 TRP HE1 H 10.364 0.02 1 1022 96 96 TRP HE3 H 7.723 0.02 1 1023 96 96 TRP HH2 H 7.067 0.02 1 1024 96 96 TRP HZ2 H 7.468 0.02 1 1025 96 96 TRP HZ3 H 7.141 0.02 1 1026 96 96 TRP C C 178.752 0.2 1 1027 96 96 TRP CA C 61.448 0.2 1 1028 96 96 TRP CB C 27.935 0.004 1 1029 96 96 TRP CD1 C 127.244 0.2 1 1030 96 96 TRP CE3 C 120.621 0.2 1 1031 96 96 TRP CH2 C 124.036 0.2 1 1032 96 96 TRP CZ2 C 113.929 0.2 1 1033 96 96 TRP CZ3 C 121.560 0.2 1 1034 96 96 TRP N N 122.549 0.2 1 1035 96 96 TRP NE1 N 129.738 0.2 1 1036 97 97 SER H H 8.525 0.02 1 1037 97 97 SER HA H 3.803 0.02 1 1038 97 97 SER HB2 H 3.606 0.02 1 1039 97 97 SER HB3 H 3.606 0.02 1 1040 97 97 SER C C 175.955 0.2 1 1041 97 97 SER CA C 62.808 0.2 1 1042 97 97 SER CB C 62.288 0.2 1 1043 97 97 SER N N 115.972 0.2 1 1044 98 98 GLN H H 8.246 0.004 1 1045 98 98 GLN HA H 4.036 0.02 1 1046 98 98 GLN HB2 H 2.223 0.02 1 1047 98 98 GLN HB3 H 2.223 0.02 1 1048 98 98 GLN HE21 H 6.778 0.02 1 1049 98 98 GLN HE22 H 7.416 0.02 1 1050 98 98 GLN HG2 H 2.499 0.02 1 1051 98 98 GLN HG3 H 2.499 0.02 1 1052 98 98 GLN C C 178.936 0.2 1 1053 98 98 GLN CA C 58.993 0.2 1 1054 98 98 GLN CB C 28.228 0.2 1 1055 98 98 GLN CG C 34.179 0.2 1 1056 98 98 GLN N N 120.192 0.019 1 1057 98 98 GLN NE2 N 110.524 0.001 1 1058 99 99 GLY H H 8.135 0.001 1 1059 99 99 GLY HA2 H 3.934 0.02 1 1060 99 99 GLY HA3 H 4.038 0.02 1 1061 99 99 GLY C C 176.470 0.2 1 1062 99 99 GLY CA C 46.965 0.2 1 1063 99 99 GLY N N 108.331 0.028 1 1064 100 100 LEU H H 7.626 0.002 1 1065 100 100 LEU HA H 3.826 0.02 1 1066 100 100 LEU HB2 H 1.129 0.02 1 1067 100 100 LEU HB3 H 1.493 0.02 1 1068 100 100 LEU HD1 H 0.582 0.02 1 1069 100 100 LEU HD2 H 0.652 0.02 1 1070 100 100 LEU HG H 1.332 0.02 1 1071 100 100 LEU C C 178.021 0.2 1 1072 100 100 LEU CA C 58.329 0.2 1 1073 100 100 LEU CB C 42.034 0.2 1 1074 100 100 LEU CD1 C 24.782 0.2 1 1075 100 100 LEU CD2 C 25.338 0.2 1 1076 100 100 LEU CG C 27.094 0.2 1 1077 100 100 LEU N N 124.213 0.030 1 1078 101 101 ILE H H 8.112 0.02 1 1079 101 101 ILE HA H 3.428 0.02 1 1080 101 101 ILE HB H 1.901 0.02 1 1081 101 101 ILE HD1 H 0.850 0.02 1 1082 101 101 ILE HG12 H 0.898 0.02 1 1083 101 101 ILE HG13 H 0.857 0.02 1 1084 101 101 ILE HG2 H 0.877 0.02 1 1085 101 101 ILE C C 178.082 0.2 1 1086 101 101 ILE CA C 65.947 0.2 1 1087 101 101 ILE CB C 38.357 0.2 1 1088 101 101 ILE CD1 C 14.013 0.2 1 1089 101 101 ILE CG1 C 29.341 0.2 1 1090 101 101 ILE CG2 C 17.018 0.2 1 1091 101 101 ILE N N 118.615 0.046 1 1092 102 102 SER H H 8.378 0.02 1 1093 102 102 SER HA H 4.149 0.02 1 1094 102 102 SER HB2 H 4.025 0.02 1 1095 102 102 SER HB3 H 4.025 0.02 1 1096 102 102 SER C C 177.210 0.2 1 1097 102 102 SER CA C 61.956 0.2 1 1098 102 102 SER CB C 62.781 0.2 1 1099 102 102 SER N N 113.963 0.2 1 1100 103 103 ALA H H 7.960 0.002 1 1101 103 103 ALA HA H 4.269 0.02 1 1102 103 103 ALA HB H 1.486 0.02 1 1103 103 103 ALA C C 179.663 0.2 1 1104 103 103 ALA CA C 55.050 0.2 1 1105 103 103 ALA CB C 17.837 0.2 1 1106 103 103 ALA N N 122.458 0.017 1 1107 104 104 ALA H H 8.664 0.02 1 1108 104 104 ALA HA H 3.914 0.02 1 1109 104 104 ALA HB H 1.476 0.02 1 1110 104 104 ALA C C 179.420 0.2 1 1111 104 104 ALA CA C 55.849 0.2 1 1112 104 104 ALA CB C 18.229 0.2 1 1113 104 104 ALA N N 121.342 0.023 1 1114 105 105 ARG H H 8.509 0.003 1 1115 105 105 ARG HA H 4.068 0.02 1 1116 105 105 ARG HB2 H 2.055 0.02 1 1117 105 105 ARG HB3 H 2.055 0.02 1 1118 105 105 ARG HD2 H 3.202 0.02 1 1119 105 105 ARG HD3 H 3.160 0.02 1 1120 105 105 ARG HG2 H 1.719 0.02 1 1121 105 105 ARG HG3 H 1.719 0.02 1 1122 105 105 ARG C C 180.120 0.2 1 1123 105 105 ARG CA C 60.004 0.2 1 1124 105 105 ARG CB C 30.149 0.2 1 1125 105 105 ARG CD C 44.032 0.002 1 1126 105 105 ARG CG C 27.969 0.2 1 1127 105 105 ARG N N 116.842 0.023 1 1128 106 106 MET H H 8.106 0.001 1 1129 106 106 MET HA H 4.440 0.02 1 1130 106 106 MET HB2 H 2.451 0.02 1 1131 106 106 MET HB3 H 2.293 0.02 1 1132 106 106 MET HE H 2.156 0.02 1 1133 106 106 MET HG2 H 2.755 0.02 1 1134 106 106 MET HG3 H 2.874 0.02 1 1135 106 106 MET C C 179.240 0.2 1 1136 106 106 MET CA C 58.760 0.2 1 1137 106 106 MET CB C 32.234 0.006 1 1138 106 106 MET CE C 17.144 0.2 1 1139 106 106 MET CG C 32.527 0.001 1 1140 106 106 MET N N 120.107 0.020 1 1141 107 107 VAL H H 8.430 0.001 1 1142 107 107 VAL HA H 3.962 0.02 1 1143 107 107 VAL HB H 2.289 0.02 1 1144 107 107 VAL HG1 H 1.063 0.02 1 1145 107 107 VAL HG2 H 0.929 0.02 1 1146 107 107 VAL C C 179.643 0.2 1 1147 107 107 VAL CA C 66.467 0.2 1 1148 107 107 VAL CB C 31.579 0.2 1 1149 107 107 VAL CG1 C 23.162 0.2 1 1150 107 107 VAL CG2 C 22.195 0.2 1 1151 107 107 VAL N N 121.750 0.028 1 1152 108 108 ALA H H 8.371 0.002 1 1153 108 108 ALA HA H 4.052 0.02 1 1154 108 108 ALA HB H 1.643 0.02 1 1155 108 108 ALA C C 179.432 0.2 1 1156 108 108 ALA CA C 55.834 0.2 1 1157 108 108 ALA CB C 17.859 0.2 1 1158 108 108 ALA N N 125.084 0.023 1 1159 109 109 ALA H H 8.490 0.002 1 1160 109 109 ALA HA H 4.264 0.02 1 1161 109 109 ALA HB H 1.621 0.02 1 1162 109 109 ALA C C 180.432 0.2 1 1163 109 109 ALA CA C 55.067 0.2 1 1164 109 109 ALA CB C 17.956 0.2 1 1165 109 109 ALA N N 122.365 0.022 1 1166 110 110 ALA H H 8.709 0.001 1 1167 110 110 ALA HA H 4.271 0.02 1 1168 110 110 ALA HB H 1.597 0.02 1 1169 110 110 ALA C C 180.480 0.2 1 1170 110 110 ALA CA C 55.031 0.2 1 1171 110 110 ALA CB C 17.921 0.2 1 1172 110 110 ALA N N 120.589 0.019 1 1173 111 111 THR H H 8.483 0.001 1 1174 111 111 THR HA H 3.788 0.02 1 1175 111 111 THR HB H 4.411 0.02 1 1176 111 111 THR HG2 H 1.365 0.02 1 1177 111 111 THR C C 176.460 0.2 1 1178 111 111 THR CA C 67.840 0.2 1 1179 111 111 THR CB C 68.283 0.2 1 1180 111 111 THR CG2 C 21.780 0.2 1 1181 111 111 THR N N 116.209 0.021 1 1182 112 112 ASN H H 8.468 0.001 1 1183 112 112 ASN HA H 4.363 0.02 1 1184 112 112 ASN HB2 H 2.939 0.02 1 1185 112 112 ASN HB3 H 2.983 0.02 1 1186 112 112 ASN HD21 H 6.746 0.02 1 1187 112 112 ASN HD22 H 7.493 0.02 1 1188 112 112 ASN C C 177.343 0.2 1 1189 112 112 ASN CA C 58.033 0.2 1 1190 112 112 ASN CB C 38.878 0.004 1 1191 112 112 ASN N N 122.711 0.023 1 1192 112 112 ASN ND2 N 111.743 0.001 1 1193 113 113 ASN H H 8.311 0.001 1 1194 113 113 ASN HA H 4.530 0.02 1 1195 113 113 ASN HB2 H 3.062 0.02 1 1196 113 113 ASN HB3 H 2.965 0.02 1 1197 113 113 ASN HD21 H 6.920 0.02 1 1198 113 113 ASN HD22 H 7.882 0.02 1 1199 113 113 ASN C C 178.054 0.2 1 1200 113 113 ASN CA C 56.377 0.2 1 1201 113 113 ASN CB C 37.831 0.2 1 1202 113 113 ASN N N 118.728 0.053 1 1203 113 113 ASN ND2 N 111.797 0.2 1 1204 114 114 LEU H H 8.319 0.003 1 1205 114 114 LEU HA H 4.338 0.02 1 1206 114 114 LEU HB2 H 1.712 0.02 1 1207 114 114 LEU HB3 H 2.282 0.02 1 1208 114 114 LEU HD1 H 1.082 0.02 1 1209 114 114 LEU HD2 H 1.048 0.02 1 1210 114 114 LEU HG H 1.797 0.02 1 1211 114 114 LEU C C 178.566 0.2 1 1212 114 114 LEU CA C 58.122 0.2 1 1213 114 114 LEU CB C 41.601 0.2 1 1214 114 114 LEU CD1 C 25.853 0.2 1 1215 114 114 LEU CD2 C 25.168 0.2 1 1216 114 114 LEU CG C 27.639 0.2 1 1217 114 114 LEU N N 122.641 0.045 1 1218 115 115 CYS H H 8.570 0.003 1 1219 115 115 CYS HA H 4.060 0.02 1 1220 115 115 CYS HB2 H 2.997 0.02 1 1221 115 115 CYS HB3 H 3.202 0.02 1 1222 115 115 CYS C C 176.983 0.2 1 1223 115 115 CYS CA C 64.890 0.2 1 1224 115 115 CYS CB C 26.729 0.004 1 1225 115 115 CYS N N 118.691 0.027 1 1226 116 116 GLU H H 8.329 0.001 1 1227 116 116 GLU HA H 4.209 0.02 1 1228 116 116 GLU HB2 H 2.212 0.02 1 1229 116 116 GLU HB3 H 2.212 0.02 1 1230 116 116 GLU HG2 H 2.378 0.02 1 1231 116 116 GLU HG3 H 2.513 0.02 1 1232 116 116 GLU C C 179.522 0.2 1 1233 116 116 GLU CA C 59.597 0.2 1 1234 116 116 GLU CB C 29.349 0.2 1 1235 116 116 GLU CG C 36.240 0.2 1 1236 116 116 GLU N N 119.737 0.003 1 1237 117 117 ALA H H 8.269 0.02 1 1238 117 117 ALA HA H 4.307 0.02 1 1239 117 117 ALA HB H 1.560 0.02 1 1240 117 117 ALA C C 180.184 0.2 1 1241 117 117 ALA CA C 54.989 0.2 1 1242 117 117 ALA CB C 17.630 0.2 1 1243 117 117 ALA N N 123.404 0.005 1 1244 118 118 ALA H H 8.892 0.002 1 1245 118 118 ALA HA H 3.999 0.02 1 1246 118 118 ALA HB H 1.372 0.02 1 1247 118 118 ALA C C 178.226 0.2 1 1248 118 118 ALA CA C 55.265 0.2 1 1249 118 118 ALA CB C 17.852 0.2 1 1250 118 118 ALA N N 122.023 0.041 1 1251 119 119 ASN H H 8.199 0.002 1 1252 119 119 ASN HA H 4.305 0.02 1 1253 119 119 ASN HB2 H 3.017 0.02 1 1254 119 119 ASN HB3 H 2.827 0.02 1 1255 119 119 ASN HD21 H 6.720 0.02 1 1256 119 119 ASN HD22 H 7.642 0.02 1 1257 119 119 ASN C C 177.096 0.2 1 1258 119 119 ASN CA C 56.608 0.2 1 1259 119 119 ASN CB C 39.295 0.001 1 1260 119 119 ASN N N 116.627 0.023 1 1261 119 119 ASN ND2 N 111.650 0.001 1 1262 120 120 ALA H H 7.921 0.002 1 1263 120 120 ALA HA H 4.151 0.02 1 1264 120 120 ALA HB H 1.593 0.02 1 1265 120 120 ALA C C 179.999 0.2 1 1266 120 120 ALA CA C 55.095 0.2 1 1267 120 120 ALA CB C 18.024 0.2 1 1268 120 120 ALA N N 119.994 0.019 1 1269 121 121 ALA H H 8.103 0.02 1 1270 121 121 ALA HA H 4.169 0.02 1 1271 121 121 ALA HB H 1.650 0.02 1 1272 121 121 ALA C C 180.602 0.2 1 1273 121 121 ALA CA C 55.090 0.2 1 1274 121 121 ALA CB C 18.161 0.2 1 1275 121 121 ALA N N 119.748 0.023 1 1276 122 122 VAL H H 8.169 0.001 1 1277 122 122 VAL HA H 3.951 0.02 1 1278 122 122 VAL HB H 2.415 0.02 1 1279 122 122 VAL HG1 H 1.071 0.02 1 1280 122 122 VAL HG2 H 1.183 0.02 1 1281 122 122 VAL C C 176.770 0.2 1 1282 122 122 VAL CA C 65.180 0.2 1 1283 122 122 VAL CB C 31.523 0.2 1 1284 122 122 VAL CG1 C 22.031 0.2 1 1285 122 122 VAL CG2 C 22.745 0.2 1 1286 122 122 VAL N N 116.594 0.028 1 1287 123 123 GLN H H 7.692 0.02 1 1288 123 123 GLN HA H 4.440 0.02 1 1289 123 123 GLN HB2 H 2.423 0.02 1 1290 123 123 GLN HB3 H 2.060 0.02 1 1291 123 123 GLN HE21 H 6.786 0.02 1 1292 123 123 GLN HE22 H 7.332 0.02 1 1293 123 123 GLN HG2 H 2.632 0.02 1 1294 123 123 GLN HG3 H 2.443 0.02 1 1295 123 123 GLN C C 176.107 0.2 1 1296 123 123 GLN CA C 55.965 0.2 1 1297 123 123 GLN CB C 29.340 0.006 1 1298 123 123 GLN CG C 34.280 0.011 1 1299 123 123 GLN N N 116.643 0.020 1 1300 123 123 GLN NE2 N 111.066 0.001 1 1301 124 124 GLY H H 7.757 0.001 1 1302 124 124 GLY HA2 H 4.191 0.02 1 1303 124 124 GLY HA3 H 3.989 0.02 1 1304 124 124 GLY C C 174.357 0.2 1 1305 124 124 GLY CA C 45.744 0.2 1 1306 124 124 GLY N N 106.132 0.020 1 1307 125 125 HIS H H 8.351 0.002 1 1308 125 125 HIS HA H 5.043 0.02 1 1309 125 125 HIS HB2 H 3.346 0.02 1 1310 125 125 HIS HB3 H 3.049 0.02 1 1311 125 125 HIS HD2 H 7.194 0.02 1 1312 125 125 HIS HE1 H 8.513 0.02 1 1313 125 125 HIS C C 174.117 0.2 1 1314 125 125 HIS CA C 53.932 0.2 1 1315 125 125 HIS CB C 29.346 0.004 1 1316 125 125 HIS CD2 C 120.064 0.2 1 1317 125 125 HIS CE1 C 136.933 0.2 1 1318 125 125 HIS N N 119.223 0.023 1 1319 126 126 ALA H H 8.486 0.007 1 1320 126 126 ALA HA H 4.379 0.02 1 1321 126 126 ALA HB H 1.505 0.02 1 1322 126 126 ALA C C 177.070 0.2 1 1323 126 126 ALA CA C 52.567 0.2 1 1324 126 126 ALA CB C 19.981 0.2 1 1325 126 126 ALA N N 123.462 0.023 1 1326 127 127 SER H H 8.369 0.004 1 1327 127 127 SER HA H 4.865 0.02 1 1328 127 127 SER HB2 H 3.950 0.02 2 1329 127 127 SER HB3 H 4.098 0.02 2 1330 127 127 SER C C 175.354 0.2 1 1331 127 127 SER CA C 56.509 0.2 1 1332 127 127 SER CB C 63.972 0.005 1 1333 127 127 SER N N 115.831 0.020 1 1334 128 128 GLN H H 9.145 0.002 1 1335 128 128 GLN HA H 3.977 0.02 1 1336 128 128 GLN HB2 H 2.110 0.02 1 1337 128 128 GLN HB3 H 2.164 0.02 1 1338 128 128 GLN HE21 H 6.946 0.02 1 1339 128 128 GLN HE22 H 7.269 0.02 1 1340 128 128 GLN HG2 H 2.431 0.02 1 1341 128 128 GLN HG3 H 2.431 0.02 1 1342 128 128 GLN C C 177.486 0.2 1 1343 128 128 GLN CA C 60.381 0.2 1 1344 128 128 GLN CB C 28.734 0.2 1 1345 128 128 GLN CG C 34.282 0.2 1 1346 128 128 GLN N N 126.959 0.038 1 1347 128 128 GLN NE2 N 111.620 0.002 1 1348 129 129 GLU H H 8.778 0.002 1 1349 129 129 GLU HA H 4.096 0.02 1 1350 129 129 GLU HB2 H 2.046 0.02 1 1351 129 129 GLU HB3 H 2.148 0.02 1 1352 129 129 GLU HG2 H 2.387 0.02 1 1353 129 129 GLU HG3 H 2.387 0.02 1 1354 129 129 GLU C C 179.312 0.2 1 1355 129 129 GLU CA C 59.924 0.2 1 1356 129 129 GLU CB C 29.284 0.006 1 1357 129 129 GLU CG C 36.235 0.2 1 1358 129 129 GLU N N 117.915 0.019 1 1359 130 130 LYS H H 7.949 0.002 1 1360 130 130 LYS HA H 4.224 0.02 1 1361 130 130 LYS HB2 H 2.028 0.02 1 1362 130 130 LYS HB3 H 2.028 0.02 1 1363 130 130 LYS HD2 H 1.796 0.02 1 1364 130 130 LYS HD3 H 1.796 0.02 1 1365 130 130 LYS HE2 H 3.071 0.02 1 1366 130 130 LYS HE3 H 3.071 0.02 1 1367 130 130 LYS HG2 H 1.677 0.02 1 1368 130 130 LYS HG3 H 1.566 0.02 1 1369 130 130 LYS C C 180.104 0.2 1 1370 130 130 LYS CA C 58.820 0.2 1 1371 130 130 LYS CB C 32.562 0.2 1 1372 130 130 LYS CD C 29.028 0.2 1 1373 130 130 LYS CE C 42.298 0.2 1 1374 130 130 LYS CG C 25.652 0.004 1 1375 130 130 LYS N N 119.761 0.021 1 1376 131 131 LEU H H 8.209 0.004 1 1377 131 131 LEU HA H 3.966 0.02 1 1378 131 131 LEU HB2 H 1.501 0.02 1 1379 131 131 LEU HB3 H 2.054 0.02 1 1380 131 131 LEU HD1 H 0.887 0.02 1 1381 131 131 LEU HD2 H 1.013 0.02 1 1382 131 131 LEU HG H 1.894 0.02 1 1383 131 131 LEU C C 177.724 0.2 1 1384 131 131 LEU CA C 58.619 0.2 1 1385 131 131 LEU CB C 42.532 0.2 1 1386 131 131 LEU CD1 C 23.817 0.2 1 1387 131 131 LEU CD2 C 25.659 0.2 1 1388 131 131 LEU CG C 26.978 0.2 1 1389 131 131 LEU N N 121.600 0.003 1 1390 132 132 ILE H H 8.358 0.005 1 1391 132 132 ILE HA H 3.627 0.02 1 1392 132 132 ILE HB H 2.006 0.02 1 1393 132 132 ILE HD1 H 0.951 0.02 1 1394 132 132 ILE HG12 H 1.125 0.02 1 1395 132 132 ILE HG13 H 1.125 0.02 1 1396 132 132 ILE HG2 H 1.036 0.02 1 1397 132 132 ILE C C 178.170 0.2 1 1398 132 132 ILE CA C 66.267 0.2 1 1399 132 132 ILE CB C 38.022 0.2 1 1400 132 132 ILE CD1 C 13.677 0.2 1 1401 132 132 ILE CG1 C 30.438 0.2 1 1402 132 132 ILE CG2 C 17.274 0.2 1 1403 132 132 ILE N N 118.339 0.021 1 1404 133 133 SER H H 8.584 0.003 1 1405 133 133 SER HA H 4.229 0.02 1 1406 133 133 SER HB2 H 4.097 0.02 1 1407 133 133 SER HB3 H 4.097 0.02 1 1408 133 133 SER C C 178.178 0.2 1 1409 133 133 SER CA C 62.062 0.2 1 1410 133 133 SER CB C 62.785 0.2 1 1411 133 133 SER N N 114.313 0.029 1 1412 134 134 SER H H 8.167 0.001 1 1413 134 134 SER C C 176.659 0.2 1 1414 134 134 SER N N 117.640 0.053 1 1415 135 135 ALA H H 8.246 0.001 1 1416 135 135 ALA HA H 4.044 0.02 1 1417 135 135 ALA HB H 1.666 0.02 1 1418 135 135 ALA C C 180.349 0.2 1 1419 135 135 ALA CA C 55.860 0.2 1 1420 135 135 ALA CB C 18.448 0.2 1 1421 135 135 ALA N N 126.668 0.030 1 1422 136 136 LYS H H 8.486 0.001 1 1423 136 136 LYS HA H 4.100 0.02 1 1424 136 136 LYS HB2 H 1.999 0.02 1 1425 136 136 LYS HB3 H 2.099 0.02 1 1426 136 136 LYS HD2 H 1.745 0.02 1 1427 136 136 LYS HD3 H 1.745 0.02 1 1428 136 136 LYS HE2 H 2.970 0.02 1 1429 136 136 LYS HE3 H 2.970 0.02 1 1430 136 136 LYS HG2 H 1.528 0.02 1 1431 136 136 LYS HG3 H 1.805 0.02 1 1432 136 136 LYS C C 179.949 0.2 1 1433 136 136 LYS CA C 60.028 0.2 1 1434 136 136 LYS CB C 32.211 0.2 1 1435 136 136 LYS CD C 29.560 0.2 1 1436 136 136 LYS CE C 42.180 0.2 1 1437 136 136 LYS CG C 26.070 0.005 1 1438 136 136 LYS N N 118.431 0.029 1 1439 137 137 GLN H H 8.371 0.02 1 1440 137 137 GLN HA H 4.358 0.02 1 1441 137 137 GLN HB2 H 2.441 0.02 1 1442 137 137 GLN HB3 H 2.324 0.02 1 1443 137 137 GLN HE21 H 6.816 0.02 1 1444 137 137 GLN HE22 H 7.423 0.02 1 1445 137 137 GLN HG2 H 2.629 0.02 1 1446 137 137 GLN HG3 H 2.533 0.02 1 1447 137 137 GLN C C 180.289 0.2 1 1448 137 137 GLN CA C 58.776 0.2 1 1449 137 137 GLN CB C 28.468 0.2 1 1450 137 137 GLN CG C 34.031 0.2 1 1451 137 137 GLN N N 120.731 0.025 1 1452 137 137 GLN NE2 N 110.920 0.003 1 1453 138 138 VAL H H 8.511 0.002 1 1454 138 138 VAL HA H 3.594 0.02 1 1455 138 138 VAL HB H 2.392 0.02 1 1456 138 138 VAL HG1 H 0.906 0.02 1 1457 138 138 VAL HG2 H 1.112 0.02 1 1458 138 138 VAL C C 178.686 0.2 1 1459 138 138 VAL CA C 67.317 0.2 1 1460 138 138 VAL CB C 31.465 0.2 1 1461 138 138 VAL CG1 C 22.431 0.2 1 1462 138 138 VAL CG2 C 23.863 0.2 1 1463 138 138 VAL N N 122.611 0.025 1 1464 139 139 ALA H H 8.030 0.001 1 1465 139 139 ALA HA H 4.026 0.02 1 1466 139 139 ALA HB H 1.649 0.02 1 1467 139 139 ALA C C 179.824 0.2 1 1468 139 139 ALA CA C 56.122 0.2 1 1469 139 139 ALA CB C 17.732 0.2 1 1470 139 139 ALA N N 124.711 0.020 1 1471 140 140 ALA H H 8.638 0.001 1 1472 140 140 ALA HA H 4.332 0.02 1 1473 140 140 ALA HB H 1.608 0.02 1 1474 140 140 ALA C C 181.062 0.2 1 1475 140 140 ALA CA C 54.992 0.2 1 1476 140 140 ALA CB C 18.387 0.2 1 1477 140 140 ALA N N 121.886 0.023 1 1478 141 141 SER H H 8.535 0.002 1 1479 141 141 SER HA H 4.322 0.02 1 1480 141 141 SER HB2 H 3.894 0.02 1 1481 141 141 SER HB3 H 4.010 0.02 1 1482 141 141 SER C C 176.862 0.2 1 1483 141 141 SER CA C 62.366 0.2 1 1484 141 141 SER CB C 62.534 0.007 1 1485 141 141 SER N N 115.443 0.030 1 1486 142 142 THR H H 8.153 0.02 1 1487 142 142 THR HA H 3.801 0.02 1 1488 142 142 THR HB H 4.394 0.02 1 1489 142 142 THR HG2 H 1.303 0.02 1 1490 142 142 THR C C 175.830 0.2 1 1491 142 142 THR CA C 68.127 0.2 1 1492 142 142 THR CB C 67.958 0.2 1 1493 142 142 THR CG2 C 21.767 0.2 1 1494 142 142 THR N N 120.756 0.2 1 1495 143 143 ALA H H 7.836 0.001 1 1496 143 143 ALA HA H 4.164 0.02 1 1497 143 143 ALA HB H 1.648 0.02 1 1498 143 143 ALA C C 180.203 0.2 1 1499 143 143 ALA CA C 55.273 0.2 1 1500 143 143 ALA CB C 17.780 0.2 1 1501 143 143 ALA N N 123.503 0.013 1 1502 144 144 GLN H H 7.742 0.002 1 1503 144 144 GLN HA H 4.146 0.02 1 1504 144 144 GLN HB2 H 2.322 0.02 1 1505 144 144 GLN HB3 H 2.223 0.02 1 1506 144 144 GLN HE21 H 6.777 0.02 1 1507 144 144 GLN HE22 H 7.435 0.02 1 1508 144 144 GLN HG2 H 2.508 0.02 1 1509 144 144 GLN HG3 H 2.508 0.02 1 1510 144 144 GLN C C 178.519 0.2 1 1511 144 144 GLN CA C 58.687 0.2 1 1512 144 144 GLN CB C 28.228 0.2 1 1513 144 144 GLN CG C 34.022 0.2 1 1514 144 144 GLN N N 116.653 0.030 1 1515 144 144 GLN NE2 N 110.693 0.001 1 1516 145 145 LEU H H 8.018 0.02 1 1517 145 145 LEU HA H 4.055 0.02 1 1518 145 145 LEU HB2 H 2.133 0.02 1 1519 145 145 LEU HB3 H 1.517 0.02 1 1520 145 145 LEU HD1 H 0.939 0.02 1 1521 145 145 LEU HD2 H 0.897 0.02 1 1522 145 145 LEU HG H 1.667 0.02 1 1523 145 145 LEU C C 177.962 0.2 1 1524 145 145 LEU CA C 58.559 0.2 1 1525 145 145 LEU CB C 41.438 0.2 1 1526 145 145 LEU CD1 C 24.976 0.2 1 1527 145 145 LEU CD2 C 26.585 0.2 1 1528 145 145 LEU CG C 27.643 0.2 1 1529 145 145 LEU N N 121.961 0.018 1 1530 146 146 LEU H H 8.219 0.02 1 1531 146 146 LEU HA H 3.960 0.02 1 1532 146 146 LEU HB2 H 2.036 0.02 1 1533 146 146 LEU HB3 H 1.671 0.02 1 1534 146 146 LEU HD1 H 0.976 0.02 1 1535 146 146 LEU HD2 H 0.913 0.02 1 1536 146 146 LEU HG H 1.842 0.02 1 1537 146 146 LEU C C 179.558 0.2 1 1538 146 146 LEU CA C 59.400 0.2 1 1539 146 146 LEU CB C 41.754 0.2 1 1540 146 146 LEU CD1 C 25.803 0.2 1 1541 146 146 LEU CD2 C 24.444 0.2 1 1542 146 146 LEU CG C 28.163 0.2 1 1543 146 146 LEU N N 119.884 0.025 1 1544 147 147 VAL H H 7.993 0.001 1 1545 147 147 VAL HA H 3.684 0.02 1 1546 147 147 VAL HB H 2.233 0.02 1 1547 147 147 VAL HG1 H 1.173 0.02 1 1548 147 147 VAL HG2 H 1.065 0.02 1 1549 147 147 VAL C C 178.234 0.2 1 1550 147 147 VAL CA C 66.797 0.2 1 1551 147 147 VAL CB C 31.774 0.2 1 1552 147 147 VAL CG1 C 23.030 0.2 1 1553 147 147 VAL CG2 C 21.287 0.2 1 1554 147 147 VAL N N 118.476 0.024 1 1555 148 148 ALA H H 8.000 0.003 1 1556 148 148 ALA HA H 4.339 0.02 1 1557 148 148 ALA HB H 1.514 0.02 1 1558 148 148 ALA C C 180.554 0.2 1 1559 148 148 ALA CA C 54.983 0.2 1 1560 148 148 ALA CB C 17.749 0.2 1 1561 148 148 ALA N N 121.242 0.016 1 1562 149 149 CYS H H 7.996 0.001 1 1563 149 149 CYS HA H 4.511 0.02 1 1564 149 149 CYS HB2 H 2.838 0.02 1 1565 149 149 CYS HB3 H 3.054 0.02 1 1566 149 149 CYS C C 175.804 0.2 1 1567 149 149 CYS CA C 63.577 0.2 1 1568 149 149 CYS CB C 28.138 0.005 1 1569 149 149 CYS N N 114.284 0.031 1 1570 150 150 LYS H H 8.160 0.003 1 1571 150 150 LYS HA H 4.240 0.02 1 1572 150 150 LYS HB2 H 2.021 0.02 1 1573 150 150 LYS HB3 H 2.021 0.02 1 1574 150 150 LYS HD2 H 1.796 0.02 1 1575 150 150 LYS HD3 H 1.796 0.02 1 1576 150 150 LYS HE2 H 3.040 0.02 1 1577 150 150 LYS HE3 H 3.040 0.02 1 1578 150 150 LYS HG2 H 1.552 0.02 1 1579 150 150 LYS HG3 H 1.647 0.02 1 1580 150 150 LYS C C 177.101 0.2 1 1581 150 150 LYS CA C 58.571 0.2 1 1582 150 150 LYS CB C 32.538 0.2 1 1583 150 150 LYS CD C 29.028 0.2 1 1584 150 150 LYS CE C 42.266 0.2 1 1585 150 150 LYS CG C 25.540 0.002 1 1586 150 150 LYS N N 118.637 0.019 1 1587 151 151 VAL H H 7.624 0.001 1 1588 151 151 VAL HA H 4.007 0.02 1 1589 151 151 VAL HB H 2.286 0.02 1 1590 151 151 VAL HG1 H 1.090 0.02 1 1591 151 151 VAL HG2 H 1.263 0.02 1 1592 151 151 VAL C C 176.523 0.2 1 1593 151 151 VAL CA C 64.858 0.2 1 1594 151 151 VAL CB C 32.507 0.2 1 1595 151 151 VAL CG1 C 21.362 0.2 1 1596 151 151 VAL CG2 C 21.774 0.2 1 1597 151 151 VAL N N 116.458 0.020 1 1598 152 152 LYS H H 7.134 0.001 1 1599 152 152 LYS HA H 4.435 0.02 1 1600 152 152 LYS HB2 H 1.486 0.02 1 1601 152 152 LYS HB3 H 1.136 0.02 1 1602 152 152 LYS HD2 H 0.988 0.02 1 1603 152 152 LYS HD3 H 1.273 0.02 1 1604 152 152 LYS HE2 H 2.568 0.02 1 1605 152 152 LYS HE3 H 2.568 0.02 1 1606 152 152 LYS HG2 H 0.535 0.02 1 1607 152 152 LYS HG3 H 0.779 0.02 1 1608 152 152 LYS C C 175.496 0.2 1 1609 152 152 LYS CA C 55.389 0.2 1 1610 152 152 LYS CB C 34.926 0.008 1 1611 152 152 LYS CD C 28.572 0.015 1 1612 152 152 LYS CE C 41.976 0.2 1 1613 152 152 LYS CG C 24.448 0.008 1 1614 152 152 LYS N N 116.091 0.059 1 1615 153 153 ALA H H 7.829 0.002 1 1616 153 153 ALA HA H 4.422 0.02 1 1617 153 153 ALA HB H 1.472 0.02 1 1618 153 153 ALA C C 176.692 0.2 1 1619 153 153 ALA CA C 52.315 0.2 1 1620 153 153 ALA CB C 20.283 0.2 1 1621 153 153 ALA N N 121.543 0.004 1 1622 154 154 ASP H H 8.508 0.005 1 1623 154 154 ASP HA H 4.662 0.02 1 1624 154 154 ASP HB2 H 2.762 0.02 1 1625 154 154 ASP HB3 H 2.762 0.02 1 1626 154 154 ASP C C 177.375 0.2 1 1627 154 154 ASP CA C 54.215 0.2 1 1628 154 154 ASP CB C 41.397 0.2 1 1629 154 154 ASP N N 120.280 0.039 1 1630 155 155 GLN H H 8.589 0.002 1 1631 155 155 GLN HA H 4.180 0.02 1 1632 155 155 GLN HB2 H 2.164 0.02 1 1633 155 155 GLN HB3 H 2.164 0.02 1 1634 155 155 GLN HE21 H 6.841 0.02 1 1635 155 155 GLN HE22 H 7.652 0.02 1 1636 155 155 GLN HG2 H 2.458 0.02 1 1637 155 155 GLN HG3 H 2.458 0.02 1 1638 155 155 GLN C C 175.615 0.2 1 1639 155 155 GLN CA C 57.431 0.2 1 1640 155 155 GLN CB C 29.214 0.2 1 1641 155 155 GLN CG C 33.827 0.2 1 1642 155 155 GLN N N 121.666 0.051 1 1643 155 155 GLN NE2 N 112.163 0.2 1 1644 156 156 ASP H H 8.502 0.003 1 1645 156 156 ASP HA H 4.799 0.02 1 1646 156 156 ASP HB2 H 2.663 0.02 1 1647 156 156 ASP HB3 H 2.835 0.02 1 1648 156 156 ASP C C 175.880 0.2 1 1649 156 156 ASP CA C 54.099 0.2 1 1650 156 156 ASP CB C 41.097 0.2 1 1651 156 156 ASP N N 118.985 0.020 1 1652 157 157 SER H H 7.672 0.004 1 1653 157 157 SER HA H 4.556 0.02 1 1654 157 157 SER HB2 H 4.021 0.02 1 1655 157 157 SER HB3 H 4.402 0.02 1 1656 157 157 SER C C 175.630 0.2 1 1657 157 157 SER CA C 57.979 0.2 1 1658 157 157 SER CB C 64.871 0.002 1 1659 157 157 SER N N 115.820 0.026 1 1660 158 158 GLU H H 9.064 0.004 1 1661 158 158 GLU HA H 4.091 0.02 1 1662 158 158 GLU HB2 H 2.160 0.02 1 1663 158 158 GLU HB3 H 2.160 0.02 1 1664 158 158 GLU HG2 H 2.367 0.02 1 1665 158 158 GLU HG3 H 2.367 0.02 1 1666 158 158 GLU C C 179.284 0.2 1 1667 158 158 GLU CA C 59.767 0.2 1 1668 158 158 GLU CB C 29.303 0.2 1 1669 158 158 GLU CG C 36.313 0.2 1 1670 158 158 GLU N N 125.504 0.003 1 1671 159 159 ALA H H 8.934 0.006 1 1672 159 159 ALA HA H 4.138 0.02 1 1673 159 159 ALA HB H 1.460 0.02 1 1674 159 159 ALA C C 180.934 0.2 1 1675 159 159 ALA CA C 55.240 0.2 1 1676 159 159 ALA CB C 17.894 0.2 1 1677 159 159 ALA N N 121.172 0.020 1 1678 160 160 MET H H 7.898 0.002 1 1679 160 160 MET HA H 4.638 0.02 1 1680 160 160 MET HB2 H 2.191 0.02 1 1681 160 160 MET HB3 H 2.191 0.02 1 1682 160 160 MET HE H 2.082 0.02 1 1683 160 160 MET HG2 H 2.748 0.02 1 1684 160 160 MET HG3 H 2.700 0.02 1 1685 160 160 MET C C 179.312 0.2 1 1686 160 160 MET CA C 56.327 0.2 1 1687 160 160 MET CB C 31.337 0.2 1 1688 160 160 MET CE C 17.485 0.2 1 1689 160 160 MET CG C 33.025 0.002 1 1690 160 160 MET N N 117.141 0.032 1 1691 161 161 LYS H H 8.338 0.005 1 1692 161 161 LYS HA H 4.165 0.02 1 1693 161 161 LYS HB2 H 1.978 0.02 1 1694 161 161 LYS HB3 H 2.056 0.02 1 1695 161 161 LYS HD2 H 1.753 0.02 1 1696 161 161 LYS HD3 H 1.753 0.02 1 1697 161 161 LYS HE2 H 3.028 0.02 1 1698 161 161 LYS HE3 H 3.028 0.02 1 1699 161 161 LYS HG2 H 1.534 0.02 1 1700 161 161 LYS HG3 H 1.534 0.02 1 1701 161 161 LYS C C 180.555 0.2 1 1702 161 161 LYS CA C 60.281 0.2 1 1703 161 161 LYS CB C 32.236 0.2 1 1704 161 161 LYS CD C 29.207 0.2 1 1705 161 161 LYS CE C 42.266 0.2 1 1706 161 161 LYS CG C 25.535 0.2 1 1707 161 161 LYS N N 122.252 0.043 1 1708 162 162 ARG H H 8.194 0.02 1 1709 162 162 ARG HA H 4.199 0.02 1 1710 162 162 ARG HB2 H 1.976 0.02 1 1711 162 162 ARG HB3 H 2.100 0.02 1 1712 162 162 ARG HD2 H 3.321 0.02 1 1713 162 162 ARG HD3 H 3.321 0.02 1 1714 162 162 ARG HG2 H 1.965 0.02 1 1715 162 162 ARG HG3 H 1.797 0.02 1 1716 162 162 ARG C C 179.614 0.2 1 1717 162 162 ARG CA C 59.423 0.2 1 1718 162 162 ARG CB C 30.195 0.2 1 1719 162 162 ARG CD C 43.590 0.2 1 1720 162 162 ARG CG C 27.592 0.002 1 1721 162 162 ARG N N 120.128 0.029 1 1722 163 163 LEU H H 8.216 0.001 1 1723 163 163 LEU HA H 4.024 0.02 1 1724 163 163 LEU HB2 H 1.803 0.02 1 1725 163 163 LEU HB3 H 2.049 0.02 1 1726 163 163 LEU HD1 H 1.054 0.02 1 1727 163 163 LEU HD2 H 1.010 0.02 1 1728 163 163 LEU HG H 1.694 0.02 1 1729 163 163 LEU C C 178.272 0.2 1 1730 163 163 LEU CA C 58.560 0.2 1 1731 163 163 LEU CB C 42.317 0.004 1 1732 163 163 LEU CD1 C 26.924 0.2 1 1733 163 163 LEU CD2 C 25.990 0.2 1 1734 163 163 LEU CG C 27.023 0.2 1 1735 163 163 LEU N N 122.371 0.032 1 1736 164 164 GLN H H 8.587 0.003 1 1737 164 164 GLN HA H 4.020 0.02 1 1738 164 164 GLN HB2 H 2.237 0.02 1 1739 164 164 GLN HB3 H 2.237 0.02 1 1740 164 164 GLN HE21 H 6.801 0.02 1 1741 164 164 GLN HE22 H 7.396 0.02 1 1742 164 164 GLN HG2 H 2.508 0.02 1 1743 164 164 GLN HG3 H 2.508 0.02 1 1744 164 164 GLN C C 178.718 0.2 1 1745 164 164 GLN CA C 58.897 0.2 1 1746 164 164 GLN CB C 28.526 0.2 1 1747 164 164 GLN CG C 34.022 0.2 1 1748 164 164 GLN N N 118.422 0.022 1 1749 164 164 GLN NE2 N 111.400 0.2 1 1750 165 165 ALA H H 8.089 0.02 1 1751 165 165 ALA HA H 4.303 0.02 1 1752 165 165 ALA HB H 1.626 0.02 1 1753 165 165 ALA C C 181.152 0.2 1 1754 165 165 ALA CA C 55.093 0.2 1 1755 165 165 ALA CB C 17.875 0.2 1 1756 165 165 ALA N N 121.930 0.019 1 1757 166 166 ALA H H 8.201 0.002 1 1758 166 166 ALA HA H 4.400 0.02 1 1759 166 166 ALA HB H 1.611 0.02 1 1760 166 166 ALA C C 180.635 0.2 1 1761 166 166 ALA CA C 54.938 0.2 1 1762 166 166 ALA CB C 17.306 0.2 1 1763 166 166 ALA N N 122.445 0.026 1 1764 167 167 GLY H H 8.973 0.003 1 1765 167 167 GLY HA2 H 3.698 0.02 1 1766 167 167 GLY HA3 H 3.824 0.02 1 1767 167 167 GLY C C 176.266 0.2 1 1768 167 167 GLY CA C 47.639 0.2 1 1769 167 167 GLY N N 107.407 0.029 1 1770 168 168 ASN H H 8.520 0.003 1 1771 168 168 ASN HA H 4.596 0.02 1 1772 168 168 ASN HB2 H 2.942 0.02 1 1773 168 168 ASN HB3 H 3.075 0.02 1 1774 168 168 ASN HD21 H 7.683 0.02 1 1775 168 168 ASN HD22 H 7.070 0.02 1 1776 168 168 ASN C C 177.679 0.2 1 1777 168 168 ASN CA C 55.992 0.2 1 1778 168 168 ASN CB C 37.845 0.006 1 1779 168 168 ASN N N 122.153 0.024 1 1780 168 168 ASN ND2 N 111.746 0.008 1 1781 169 169 ALA H H 7.994 0.001 1 1782 169 169 ALA HA H 4.273 0.02 1 1783 169 169 ALA HB H 1.706 0.02 1 1784 169 169 ALA C C 181.136 0.2 1 1785 169 169 ALA CA C 55.307 0.2 1 1786 169 169 ALA CB C 17.914 0.2 1 1787 169 169 ALA N N 123.585 0.031 1 1788 170 170 VAL H H 8.260 0.002 1 1789 170 170 VAL HA H 3.509 0.02 1 1790 170 170 VAL HB H 2.414 0.02 1 1791 170 170 VAL HG1 H 0.987 0.02 1 1792 170 170 VAL HG2 H 1.166 0.02 1 1793 170 170 VAL C C 178.082 0.2 1 1794 170 170 VAL CA C 67.269 0.2 1 1795 170 170 VAL CB C 31.850 0.2 1 1796 170 170 VAL CG1 C 21.931 0.2 1 1797 170 170 VAL CG2 C 23.819 0.2 1 1798 170 170 VAL N N 119.294 0.030 1 1799 171 171 LYS H H 8.010 0.02 1 1800 171 171 LYS HA H 3.927 0.02 1 1801 171 171 LYS HB2 H 2.070 0.02 1 1802 171 171 LYS HB3 H 2.135 0.02 1 1803 171 171 LYS HD2 H 1.735 0.02 1 1804 171 171 LYS HD3 H 1.831 0.02 1 1805 171 171 LYS HE2 H 3.071 0.02 1 1806 171 171 LYS HE3 H 3.071 0.02 1 1807 171 171 LYS HG2 H 1.522 0.02 1 1808 171 171 LYS HG3 H 1.609 0.02 1 1809 171 171 LYS C C 178.252 0.2 1 1810 171 171 LYS CA C 60.258 0.2 1 1811 171 171 LYS CB C 32.193 0.2 1 1812 171 171 LYS CD C 28.883 0.007 1 1813 171 171 LYS CE C 42.298 0.2 1 1814 171 171 LYS CG C 25.178 0.2 1 1815 171 171 LYS N N 121.722 0.022 1 1816 172 172 ARG H H 8.135 0.001 1 1817 172 172 ARG HA H 4.207 0.02 1 1818 172 172 ARG HB2 H 1.968 0.02 1 1819 172 172 ARG HB3 H 1.968 0.02 1 1820 172 172 ARG HD2 H 3.339 0.02 1 1821 172 172 ARG HD3 H 3.339 0.02 1 1822 172 172 ARG HG2 H 1.872 0.02 1 1823 172 172 ARG HG3 H 1.725 0.02 1 1824 172 172 ARG C C 178.603 0.2 1 1825 172 172 ARG CA C 59.346 0.2 1 1826 172 172 ARG CB C 30.439 0.2 1 1827 172 172 ARG CD C 43.580 0.2 1 1828 172 172 ARG CG C 27.436 0.031 1 1829 172 172 ARG N N 117.901 0.003 1 1830 173 173 ALA H H 7.988 0.001 1 1831 173 173 ALA HA H 4.362 0.02 1 1832 173 173 ALA HB H 1.559 0.02 1 1833 173 173 ALA C C 180.505 0.2 1 1834 173 173 ALA CA C 55.116 0.2 1 1835 173 173 ALA CB C 18.575 0.2 1 1836 173 173 ALA N N 120.678 0.011 1 1837 174 174 SER H H 8.917 0.02 1 1838 174 174 SER HA H 4.027 0.02 1 1839 174 174 SER HB2 H 4.024 0.02 1 1840 174 174 SER HB3 H 4.024 0.02 1 1841 174 174 SER C C 176.020 0.2 1 1842 174 174 SER CA C 62.575 0.2 1 1843 174 174 SER CB C 62.248 0.2 1 1844 174 174 SER N N 115.998 0.019 1 1845 175 175 ASP H H 8.387 0.003 1 1846 175 175 ASP HA H 4.467 0.02 1 1847 175 175 ASP HB2 H 2.969 0.02 1 1848 175 175 ASP HB3 H 2.701 0.02 1 1849 175 175 ASP C C 179.233 0.2 1 1850 175 175 ASP CA C 57.615 0.2 1 1851 175 175 ASP CB C 40.195 0.2 1 1852 175 175 ASP N N 122.444 0.021 1 1853 176 176 ASN H H 8.104 0.001 1 1854 176 176 ASN HA H 4.583 0.02 1 1855 176 176 ASN HB2 H 2.942 0.02 1 1856 176 176 ASN HB3 H 3.130 0.02 1 1857 176 176 ASN HD21 H 6.861 0.02 1 1858 176 176 ASN HD22 H 7.814 0.02 1 1859 176 176 ASN C C 178.107 0.2 1 1860 176 176 ASN CA C 56.047 0.2 1 1861 176 176 ASN CB C 37.859 0.008 1 1862 176 176 ASN N N 118.419 0.036 1 1863 176 176 ASN ND2 N 111.196 0.001 1 1864 177 177 LEU H H 8.100 0.002 1 1865 177 177 LEU HA H 4.074 0.02 1 1866 177 177 LEU HB2 H 1.777 0.02 1 1867 177 177 LEU HB3 H 2.161 0.02 1 1868 177 177 LEU HD1 H 1.064 0.02 1 1869 177 177 LEU HD2 H 1.002 0.02 1 1870 177 177 LEU HG H 1.765 0.02 1 1871 177 177 LEU C C 177.901 0.2 1 1872 177 177 LEU CA C 58.647 0.2 1 1873 177 177 LEU CB C 41.551 0.004 1 1874 177 177 LEU CD1 C 25.564 0.2 1 1875 177 177 LEU CD2 C 26.037 0.2 1 1876 177 177 LEU CG C 28.185 0.2 1 1877 177 177 LEU N N 122.849 0.056 1 1878 178 178 VAL H H 8.249 0.02 1 1879 178 178 VAL HA H 3.458 0.02 1 1880 178 178 VAL HB H 2.332 0.02 1 1881 178 178 VAL HG1 H 1.012 0.02 1 1882 178 178 VAL HG2 H 1.220 0.02 1 1883 178 178 VAL C C 177.707 0.2 1 1884 178 178 VAL CA C 67.888 0.2 1 1885 178 178 VAL CB C 31.679 0.2 1 1886 178 178 VAL CG1 C 21.241 0.2 1 1887 178 178 VAL CG2 C 23.751 0.2 1 1888 178 178 VAL N N 119.664 0.015 1 1889 179 179 LYS H H 7.970 0.001 1 1890 179 179 LYS HA H 4.135 0.02 1 1891 179 179 LYS HB2 H 1.987 0.02 1 1892 179 179 LYS HB3 H 1.987 0.02 1 1893 179 179 LYS HD2 H 1.706 0.02 1 1894 179 179 LYS HD3 H 1.552 0.02 1 1895 179 179 LYS HE2 H 3.055 0.02 1 1896 179 179 LYS HE3 H 3.055 0.02 1 1897 179 179 LYS HG2 H 1.772 0.02 1 1898 179 179 LYS HG3 H 1.772 0.02 1 1899 179 179 LYS C C 179.419 0.2 1 1900 179 179 LYS CA C 59.555 0.2 1 1901 179 179 LYS CB C 32.279 0.2 1 1902 179 179 LYS CD C 25.548 0.006 1 1903 179 179 LYS CE C 42.286 0.2 1 1904 179 179 LYS CG C 29.209 0.2 1 1905 179 179 LYS N N 117.605 0.017 1 1906 180 180 ALA H H 7.933 0.02 1 1907 180 180 ALA HA H 4.249 0.02 1 1908 180 180 ALA HB H 1.561 0.02 1 1909 180 180 ALA C C 179.730 0.2 1 1910 180 180 ALA CA C 54.952 0.2 1 1911 180 180 ALA CB C 18.047 0.2 1 1912 180 180 ALA N N 121.376 0.019 1 1913 181 181 ALA H H 8.668 0.02 1 1914 181 181 ALA HA H 4.226 0.02 1 1915 181 181 ALA HB H 1.566 0.02 1 1916 181 181 ALA C C 178.916 0.2 1 1917 181 181 ALA CA C 54.525 0.2 1 1918 181 181 ALA CB C 18.955 0.2 1 1919 181 181 ALA N N 118.878 0.011 1 1920 182 182 GLN H H 8.125 0.004 1 1921 182 182 GLN HA H 4.159 0.02 1 1922 182 182 GLN HB2 H 2.282 0.02 1 1923 182 182 GLN HB3 H 2.173 0.02 1 1924 182 182 GLN HE21 H 6.771 0.02 1 1925 182 182 GLN HE22 H 7.275 0.02 1 1926 182 182 GLN HG2 H 2.462 0.02 1 1927 182 182 GLN HG3 H 2.724 0.02 1 1928 182 182 GLN C C 177.614 0.2 1 1929 182 182 GLN CA C 57.978 0.2 1 1930 182 182 GLN CB C 28.806 0.2 1 1931 182 182 GLN CG C 34.675 0.004 1 1932 182 182 GLN N N 115.817 0.015 1 1933 182 182 GLN NE2 N 110.494 0.032 1 1934 183 183 LYS H H 7.731 0.001 1 1935 183 183 LYS HA H 4.200 0.02 1 1936 183 183 LYS HB2 H 1.890 0.02 1 1937 183 183 LYS HB3 H 1.890 0.02 1 1938 183 183 LYS HD2 H 1.764 0.02 1 1939 183 183 LYS HD3 H 1.764 0.02 1 1940 183 183 LYS HE2 H 3.040 0.02 1 1941 183 183 LYS HE3 H 3.040 0.02 1 1942 183 183 LYS HG2 H 1.609 0.02 2 1943 183 183 LYS HG3 H 1.522 0.02 2 1944 183 183 LYS C C 176.962 0.2 1 1945 183 183 LYS CA C 57.446 0.2 1 1946 183 183 LYS CB C 32.317 0.2 1 1947 183 183 LYS CD C 29.161 0.2 1 1948 183 183 LYS CE C 42.266 0.2 1 1949 183 183 LYS CG C 25.178 0.2 1 1950 183 183 LYS N N 118.655 0.010 1 1951 184 184 ALA H H 7.694 0.02 1 1952 184 184 ALA HA H 3.916 0.02 1 1953 184 184 ALA HB H 1.288 0.02 1 1954 184 184 ALA C C 177.657 0.2 1 1955 184 184 ALA CA C 53.116 0.2 1 1956 184 184 ALA CB C 18.995 0.2 1 1957 184 184 ALA N N 121.739 0.027 1 1958 185 185 ALA H H 7.815 0.006 1 1959 185 185 ALA HA H 4.260 0.02 1 1960 185 185 ALA HB H 1.411 0.02 1 1961 185 185 ALA C C 177.402 0.2 1 1962 185 185 ALA CA C 52.870 0.2 1 1963 185 185 ALA CB C 19.186 0.2 1 1964 185 185 ALA N N 121.346 0.032 1 1965 186 186 ALA H H 7.812 0.004 1 1966 186 186 ALA HA H 4.309 0.02 1 1967 186 186 ALA HB H 1.314 0.02 1 1968 186 186 ALA C C 177.258 0.2 1 1969 186 186 ALA CA C 52.620 0.2 1 1970 186 186 ALA CB C 19.135 0.2 1 1971 186 186 ALA N N 121.299 0.066 1 1972 187 187 PHE H H 7.946 0.005 1 1973 187 187 PHE HA H 4.729 0.02 1 1974 187 187 PHE HB2 H 3.067 0.02 1 1975 187 187 PHE HB3 H 3.322 0.02 1 1976 187 187 PHE HD1 H 7.359 0.02 3 1977 187 187 PHE HD2 H 7.359 0.02 3 1978 187 187 PHE HE1 H 7.419 0.02 3 1979 187 187 PHE HE2 H 7.419 0.02 3 1980 187 187 PHE HZ H 7.352 0.02 1 1981 187 187 PHE C C 175.514 0.2 1 1982 187 187 PHE CA C 57.587 0.2 1 1983 187 187 PHE CB C 39.800 0.001 1 1984 187 187 PHE CD1 C 131.983 0.2 3 1985 187 187 PHE CD2 C 131.983 0.2 3 1986 187 187 PHE CE1 C 131.173 0.2 3 1987 187 187 PHE CE2 C 131.173 0.2 3 1988 187 187 PHE CZ C 129.424 0.2 1 1989 187 187 PHE N N 118.287 0.021 1 1990 188 188 GLU H H 8.153 0.006 1 1991 188 188 GLU HA H 4.440 0.02 1 1992 188 188 GLU HB2 H 1.996 0.02 1 1993 188 188 GLU HB3 H 2.168 0.02 1 1994 188 188 GLU HG2 H 2.005 0.02 1 1995 188 188 GLU HG3 H 2.172 0.02 1 1996 188 188 GLU C C 175.073 0.2 1 1997 188 188 GLU CA C 56.404 0.2 1 1998 188 188 GLU CB C 30.961 0.004 1 1999 188 188 GLU CG C 35.947 0.006 1 2000 188 188 GLU N N 121.945 0.023 1 2001 189 189 ASP H H 7.977 0.003 1 2002 189 189 ASP HA H 4.480 0.02 1 2003 189 189 ASP HB2 H 2.669 0.02 1 2004 189 189 ASP HB3 H 2.755 0.02 1 2005 189 189 ASP C C 180.750 0.2 1 2006 189 189 ASP CA C 55.920 0.2 1 2007 189 189 ASP CB C 42.370 0.001 1 2008 189 189 ASP N N 126.840 0.015 1 stop_ save_