data_19044 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Side Chain 1H, 13C and 15N Chemical Shift Assignments for Domain 4 of Phosphomannomutase/Phosphoglucomutase from Pseudomonas aeruginosa ; _BMRB_accession_number 19044 _BMRB_flat_file_name bmr19044.str _Entry_type original _Submission_date 2013-02-19 _Accession_date 2013-02-19 _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 Wei Yirui . . 2 Marcink Thomas C. . 3 Xu Jia . . 4 Sirianni Guy . . 5 Sarma Akella V. . 6 Prior Stephen H. . 7 Beamer Lisa J. . 8 'Van Doren' Steven R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 517 "13C chemical shifts" 409 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-18 original author . stop_ _Original_release_date 2013-03-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and Side Chain 1H, 13C and 15N Chemical Shift Assignments for Domain 4 of Phosphomannomutase/Phosphoglucomutase from Pseudomonas aeruginosa' _Citation_status 'in preparation' _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wei Yirui . . 2 Marcink Thomas C. . 3 Xu Jia . . 4 Sirianni Arthur . . 5 Sarma Akella V. . 6 Prior Stephen H. . 7 Beamer Lisa J. . 8 'Van Doren' Steven R. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PMM/PGM_D4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PMM/PGM_D4 $PMM-PGM_D4 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_PMM-PGM_D4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PMM/PGM_D4 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH SDISTPEINITVTEDSKFAI IEALQRDAQWGEGNITTLDG VRVDYPKGWGLVRASNTTPV LVLRFEADTEEELERIKTVF RNQLKAVDSSLPVPF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -20 MET 2 -19 GLY 3 -18 SER 4 -17 SER 5 -16 HIS 6 -15 HIS 7 -14 HIS 8 -13 HIS 9 -12 HIS 10 -11 HIS 11 -10 SER 12 -9 SER 13 -8 GLY 14 -7 LEU 15 -6 VAL 16 -5 PRO 17 -4 ARG 18 -3 GLY 19 -2 SER 20 -1 HIS 21 369 SER 22 370 ASP 23 371 ILE 24 372 SER 25 373 THR 26 374 PRO 27 375 GLU 28 376 ILE 29 377 ASN 30 378 ILE 31 379 THR 32 380 VAL 33 381 THR 34 382 GLU 35 383 ASP 36 384 SER 37 385 LYS 38 386 PHE 39 387 ALA 40 388 ILE 41 389 ILE 42 390 GLU 43 391 ALA 44 392 LEU 45 393 GLN 46 394 ARG 47 395 ASP 48 396 ALA 49 397 GLN 50 398 TRP 51 399 GLY 52 400 GLU 53 401 GLY 54 402 ASN 55 403 ILE 56 404 THR 57 405 THR 58 406 LEU 59 407 ASP 60 408 GLY 61 409 VAL 62 410 ARG 63 411 VAL 64 412 ASP 65 413 TYR 66 414 PRO 67 415 LYS 68 416 GLY 69 417 TRP 70 418 GLY 71 419 LEU 72 420 VAL 73 421 ARG 74 422 ALA 75 423 SER 76 424 ASN 77 425 THR 78 426 THR 79 427 PRO 80 428 VAL 81 429 LEU 82 430 VAL 83 431 LEU 84 432 ARG 85 433 PHE 86 434 GLU 87 435 ALA 88 436 ASP 89 437 THR 90 438 GLU 91 439 GLU 92 440 GLU 93 441 LEU 94 442 GLU 95 443 ARG 96 444 ILE 97 445 LYS 98 446 THR 99 447 VAL 100 448 PHE 101 449 ARG 102 450 ASN 103 451 GLN 104 452 LEU 105 453 LYS 106 454 ALA 107 455 VAL 108 456 ASP 109 457 SER 110 458 SER 111 459 LEU 112 460 PRO 113 461 VAL 114 462 PRO 115 463 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 BMRB 17602 PMM-PGM 82.61 463 100.00 100.00 2.88e-58 BMRB 17652 PMM_PGM(S108C) 82.61 463 100.00 100.00 1.79e-58 PDB 1K2Y "Crystal Structure Of Phosphomannomutase/phosphoglucomutase S108a Mutant From P. Aeruginosa" 82.61 463 100.00 100.00 2.76e-58 PDB 1K35 "Crystal Structure Of Phosphomannomutase/phosphoglucomutase From P.aeruginosa" 82.61 463 100.00 100.00 4.51e-57 PDB 1P5D "Enzyme-Ligand Complex Of P. Aeruginosa PmmPGM" 82.61 463 100.00 100.00 2.76e-58 PDB 1P5G "Enzyme-Ligand Complex Of P. Aeruginosa PmmPGM" 82.61 463 100.00 100.00 2.76e-58 PDB 1PCJ "Enzyme-Ligand Complex Of P. Aeruginosa PmmPGM" 82.61 463 100.00 100.00 2.76e-58 PDB 1PCM "Enzyme-Ligand Complex Of P. Aeruginosa PmmPGM" 82.61 463 100.00 100.00 2.76e-58 PDB 2FKF "PhosphomannomutasePHOSPHOGLUCOMUTASE FROM PSEUDOMONAS AERUGINOSA WITH Alpha-D-Glucose 1,6-Bisphosphate Bound" 82.61 462 100.00 100.00 2.82e-58 PDB 2FKM "Pmm/pgm S108d Mutant With Alpha-d-glucose 1,6-bisphosphate Bound" 82.61 462 100.00 100.00 2.98e-58 PDB 2H4L "Complex Of PmmPGM WITH RIBOSE 1-Phosphate" 82.61 463 100.00 100.00 2.76e-58 PDB 2H5A "Complex Of The Enzyme PmmPGM WITH XYLOSE 1-Phosphate" 82.61 463 100.00 100.00 2.76e-58 PDB 3BKQ "Structure Of The P368g Mutant Of PmmPGM IN COMPLEX WITH ITS SUBSTRATE" 82.61 463 100.00 100.00 2.51e-58 PDB 3C04 "Structure Of The P368g Mutant Of PmmPGM FROM P. AERUGINOSA" 82.61 463 100.00 100.00 2.51e-58 PDB 3RSM "Crystal Structure Of S108c Mutant Of PmmPGM" 82.61 463 100.00 100.00 1.79e-58 PDB 4IL8 "Crystal Structure Of An H329a Mutant Of P. Aeruginosa Pmm/pgm" 82.61 463 100.00 100.00 1.79e-58 PDB 4MRQ "Crystal Structure Of Wild-type Unphosphorylated Pmm/pgm" 82.61 455 100.00 100.00 2.19e-58 DBJ BAK92897 "phosphomannomutase [Pseudomonas aeruginosa NCGM2.S1]" 82.61 868 100.00 100.00 4.39e-56 DBJ BAP25224 "phosphomannomutase [Pseudomonas aeruginosa]" 82.61 868 100.00 100.00 4.39e-56 DBJ BAP54026 "phosphomannomutase [Pseudomonas aeruginosa]" 82.61 868 100.00 100.00 4.39e-56 DBJ BAQ43263 "phosphomannomutase [Pseudomonas aeruginosa]" 82.61 870 100.00 100.00 3.67e-56 DBJ BAR70810 "phosphomannomutase/phosphoglucomutase [Pseudomonas aeruginosa]" 82.61 868 100.00 100.00 4.39e-56 EMBL CAW30471 "phosphomannomutase AlgC [Pseudomonas aeruginosa LESB58]" 82.61 463 100.00 100.00 2.88e-58 EMBL CCQ87804 "Phosphomannomutase / Phosphoglucomutase [Pseudomonas aeruginosa 18A]" 82.61 741 100.00 100.00 3.80e-56 EMBL CDH74092 "Phosphomannomutase/phosphoglucomutase [Pseudomonas aeruginosa MH38]" 82.61 868 100.00 100.00 3.07e-56 EMBL CDH80443 "Phosphomannomutase/phosphoglucomutase [Pseudomonas aeruginosa MH27]" 82.61 868 100.00 100.00 4.39e-56 EMBL CDI93917 "phosphomannomutase [Pseudomonas aeruginosa PA38182]" 82.61 868 100.00 100.00 3.07e-56 GB AAA25701 "phosphomannomutase [Pseudomonas aeruginosa]" 82.61 463 98.95 98.95 2.34e-57 GB AAG08707 "phosphomannomutase AlgC [Pseudomonas aeruginosa PAO1]" 82.61 463 100.00 100.00 2.88e-58 GB ABJ14705 "phosphomannomutase AlgC [Pseudomonas aeruginosa UCBPP-PA14]" 82.61 854 100.00 100.00 2.86e-56 GB ABR82184 "phosphomannomutase AlgC [Pseudomonas aeruginosa PA7]" 82.61 868 97.89 100.00 6.01e-55 GB AEO77919 "phosphomannomutase AlgC [Pseudomonas aeruginosa M18]" 82.61 863 100.00 100.00 3.54e-56 REF NP_254009 "phosphomannomutase [Pseudomonas aeruginosa PAO1]" 82.61 868 100.00 100.00 4.39e-56 REF WP_003098295 "phosphomannomutase [Pseudomonas aeruginosa]" 82.61 863 100.00 100.00 3.54e-56 REF WP_003114359 "MULTISPECIES: phosphomannomutase [Pseudomonas]" 82.61 868 100.00 100.00 4.39e-56 REF WP_003117161 "phosphomannomutase [Pseudomonas aeruginosa]" 82.61 868 100.00 100.00 3.07e-56 REF WP_003121305 "phosphomannomutase/phosphoglucomutase [Pseudomonas aeruginosa]" 82.61 463 100.00 100.00 2.88e-58 SP P26276 "RecName: Full=Phosphomannomutase/phosphoglucomutase; Short=PMM / PGM [Pseudomonas aeruginosa PAO1]" 82.61 463 100.00 100.00 2.88e-58 SP Q02E40 "RecName: Full=Phosphomannomutase/phosphoglucomutase; Short=PMM / PGM" 82.61 463 100.00 100.00 2.88e-58 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $PMM-PGM_D4 g-proteobacteria 287 Bacteria . Pseudomonas aeruginosa BL21DE3 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 $PMM-PGM_D4 'recombinant technology' . Escherichia coli . pET-14b 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PMM-PGM_D4 . mM 0.6 1.5 '[U-100% 13C; U-100% 15N; U-80% 2H]' 'sodium azide' 0.1 % . . 'natural abundance' MOPS 50 mM . . 'natural abundance' 'Magnesium Chloride' 1 mM . . 'natural abundance' D2O 5 % . . '[U-99.9% 2H]' H2O 95 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _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_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CA)NNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)NNH' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_1 save_ save_3D_(H)N(CAN)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)N(CAN)NH' _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' 0.003 . M pH 7.4 . pH pressure 1 . atm temperature 310 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HN(CO)CACB' '3D HNCACB' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D (H)CC(CO)NH' '3D 1H-15N TOCSY' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' '3D (H)N(CAN)NH' 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 PMM/PGM_D4 _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 -8 13 GLY H H 8.28 0.03 1 2 -8 13 GLY HA3 H 4.01 0.03 2 3 -8 13 GLY N N 110.4 0.02 1 4 -7 14 LEU H H 7.97 0.03 1 5 -7 14 LEU HA H 4.43 0.03 1 6 -7 14 LEU HB3 H 1.61 0.03 2 7 -7 14 LEU HG H 1.67 0.03 1 8 -7 14 LEU HD2 H 0.91 0.03 2 9 -7 14 LEU CA C 55.07 0.1 1 10 -7 14 LEU CB C 42.34 0.1 1 11 -7 14 LEU CG C 26.99 0.1 1 12 -7 14 LEU CD1 C 23.54 0.1 2 13 -7 14 LEU CD2 C 24.93 0.1 2 14 -7 14 LEU N N 121.6 0.36 1 15 -6 15 VAL H H 8.01 0.01 1 16 -6 15 VAL CA C 59.67 0.1 1 17 -6 15 VAL CB C 32.56 0.1 1 18 -6 15 VAL N N 122.69 0.15 1 19 369 21 SER H H 7.06 0.03 1 20 369 21 SER HA H 4.54 0.03 1 21 369 21 SER C C 174.02 0.1 1 22 369 21 SER CA C 58.38 0.1 1 23 369 21 SER CB C 65.19 0.1 1 24 369 21 SER N N 113.08 0.05 1 25 370 22 ASP H H 8.32 0.03 1 26 370 22 ASP HA H 4.66 0.01 1 27 370 22 ASP HB2 H 2.72 0.03 2 28 370 22 ASP HB3 H 2.73 0.03 2 29 370 22 ASP C C 176.94 0.1 1 30 370 22 ASP CA C 55 0.07 1 31 370 22 ASP CB C 41.31 0.11 1 32 370 22 ASP N N 122.57 0.03 1 33 371 23 ILE H H 8.22 0.03 1 34 371 23 ILE HA H 4.32 0.03 1 35 371 23 ILE HB H 2.05 0.03 1 36 371 23 ILE HG12 H 1.18 0.03 2 37 371 23 ILE HG13 H 1.41 0.03 2 38 371 23 ILE HG2 H 1.03 0.03 1 39 371 23 ILE HD1 H 0.83 0.03 1 40 371 23 ILE C C 174.01 0.1 1 41 371 23 ILE CA C 60.7 0.13 1 42 371 23 ILE CB C 38.09 0.15 1 43 371 23 ILE CG1 C 27.03 0.1 1 44 371 23 ILE CG2 C 18.34 0.1 1 45 371 23 ILE CD1 C 13.1 0.1 1 46 371 23 ILE N N 120.88 0.03 1 47 372 24 SER H H 8.09 0.03 1 48 372 24 SER HA H 5.11 0.03 1 49 372 24 SER HB2 H 4.75 0.03 2 50 372 24 SER HB3 H 4.93 0.03 2 51 372 24 SER C C 174.56 0.1 1 52 372 24 SER CA C 57.33 0.07 1 53 372 24 SER CB C 64.97 0.06 1 54 372 24 SER N N 118.85 0.04 1 55 373 25 THR H H 8.27 0.03 1 56 373 25 THR HA H 3.96 0.03 1 57 373 25 THR HB H 4.51 0.03 1 58 373 25 THR C C 173.25 0.1 1 59 373 25 THR CA C 60.15 0.14 1 60 373 25 THR CB C 69.48 0.1 1 61 373 25 THR N N 115.61 0.07 1 62 374 26 PRO HA H 4.7 0.03 1 63 374 26 PRO HB2 H 2.42 0.03 2 64 374 26 PRO HB3 H 2.42 0.03 2 65 374 26 PRO HG2 H 2.03 0.03 2 66 374 26 PRO HG3 H 2.03 0.03 2 67 374 26 PRO HD2 H 3.78 0.03 2 68 374 26 PRO HD3 H 3.78 0.03 2 69 374 26 PRO C C 176.29 0.1 1 70 374 26 PRO CA C 62.74 0.08 1 71 374 26 PRO CB C 32.09 0.06 1 72 374 26 PRO CG C 27.16 0.1 1 73 374 26 PRO CD C 50.56 0.1 1 74 375 27 GLU H H 8.25 0.03 1 75 375 27 GLU HA H 4.46 0.03 1 76 375 27 GLU HB2 H 1.85 0.03 2 77 375 27 GLU HB3 H 2.03 0.03 2 78 375 27 GLU HG2 H 1.84 0.03 2 79 375 27 GLU HG3 H 2.32 0.03 2 80 375 27 GLU C C 176.23 0.1 1 81 375 27 GLU CA C 57.32 0.05 1 82 375 27 GLU CB C 30.51 0.05 1 83 375 27 GLU CG C 37.77 0.1 1 84 375 27 GLU N N 119.45 0.02 1 85 376 28 ILE H H 9.08 0.03 1 86 376 28 ILE HA H 4.26 0.03 1 87 376 28 ILE HB H 1.74 0.03 1 88 376 28 ILE HG12 H 1.08 0.03 2 89 376 28 ILE HG13 H 1.09 0.03 2 90 376 28 ILE HG2 H 0.89 0.03 1 91 376 28 ILE HD1 H 0.88 0.03 1 92 376 28 ILE C C 174.76 0.1 1 93 376 28 ILE CA C 60.6 0.05 1 94 376 28 ILE CB C 40.68 0.07 1 95 376 28 ILE CG1 C 27.57 0.1 1 96 376 28 ILE CG2 C 17.91 0.1 1 97 376 28 ILE CD1 C 14.16 0.1 1 98 376 28 ILE N N 127.44 0.03 1 99 377 29 ASN H H 8.68 0.03 1 100 377 29 ASN HA H 5.85 0.03 1 101 377 29 ASN HB2 H 2.5 0.03 2 102 377 29 ASN HB3 H 2.76 0.03 2 103 377 29 ASN C C 174.95 0.1 1 104 377 29 ASN CA C 51.84 0.1 1 105 377 29 ASN CB C 41.69 0.07 1 106 377 29 ASN N N 125.61 0.03 1 107 378 30 ILE H H 9.23 0.03 1 108 378 30 ILE HA H 4.47 0.03 1 109 378 30 ILE HB H 1.83 0.03 1 110 378 30 ILE HG12 H 1.01 0.03 2 111 378 30 ILE HG13 H 1.27 0.03 2 112 378 30 ILE HG2 H 1.04 0.03 1 113 378 30 ILE HD1 H 0.8 0.03 1 114 378 30 ILE C C 175.42 0.1 1 115 378 30 ILE CA C 60.61 0.03 1 116 378 30 ILE CB C 41.21 0.06 1 117 378 30 ILE CG1 C 26.86 0.1 1 118 378 30 ILE CG2 C 16.92 0.1 1 119 378 30 ILE CD1 C 15.2 0.1 1 120 378 30 ILE N N 122.61 0.05 1 121 379 31 THR H H 8.81 0.03 1 122 379 31 THR HA H 4.49 0.03 1 123 379 31 THR HB H 4.49 0.03 1 124 379 31 THR HG2 H 1.4 0.03 1 125 379 31 THR C C 173.96 0.1 1 126 379 31 THR CA C 64.77 0.03 1 127 379 31 THR CB C 68.95 0.07 1 128 379 31 THR CG2 C 22.01 0.1 1 129 379 31 THR N N 126.17 0.03 1 130 380 32 VAL H H 8.43 0.03 1 131 380 32 VAL HA H 4.76 0.03 1 132 380 32 VAL HB H 2.36 0.03 1 133 380 32 VAL HG1 H 0.68 0.03 2 134 380 32 VAL HG2 H 0.88 0.03 2 135 380 32 VAL C C 174.23 0.1 1 136 380 32 VAL CA C 59.08 0.03 1 137 380 32 VAL CB C 33.02 0.06 1 138 380 32 VAL CG1 C 18.71 0.1 2 139 380 32 VAL CG2 C 23.23 0.1 2 140 380 32 VAL N N 122.72 0.03 1 141 381 33 THR H H 7.57 0.03 1 142 381 33 THR HA H 4.72 0.03 1 143 381 33 THR HB H 4.73 0.03 1 144 381 33 THR HG2 H 1.34 0.03 1 145 381 33 THR C C 175.78 0.1 1 146 381 33 THR CA C 60.37 0.03 1 147 381 33 THR CB C 71.4 0.03 1 148 381 33 THR CG2 C 22.05 0.1 1 149 381 33 THR N N 110.74 0.05 1 150 382 34 GLU H H 9.29 0.03 1 151 382 34 GLU HA H 4.13 0.03 1 152 382 34 GLU HB2 H 2.12 0.03 2 153 382 34 GLU HB3 H 2.14 0.03 2 154 382 34 GLU HG2 H 2.41 0.03 2 155 382 34 GLU HG3 H 2.41 0.03 2 156 382 34 GLU C C 178.09 0.1 1 157 382 34 GLU CA C 59.9 0.34 1 158 382 34 GLU CB C 29.42 0.11 1 159 382 34 GLU CG C 35.46 0.1 1 160 382 34 GLU N N 123.98 0.02 1 161 383 35 ASP H H 8.28 0.03 1 162 383 35 ASP HA H 4.68 0.03 1 163 383 35 ASP HB2 H 2.38 0.03 2 164 383 35 ASP HB3 H 2.73 0.03 2 165 383 35 ASP C C 177.98 0.1 1 166 383 35 ASP CA C 55.93 0.07 1 167 383 35 ASP CB C 40.58 0.29 1 168 383 35 ASP N N 114.27 0.03 1 169 384 36 SER H H 7.84 0.03 1 170 384 36 SER HA H 4.84 0.03 1 171 384 36 SER HB2 H 4.48 0.03 2 172 384 36 SER HB3 H 4.66 0.03 2 173 384 36 SER HG H 4.96 0.03 1 174 384 36 SER C C 175.83 0.1 1 175 384 36 SER CA C 59.66 0.06 1 176 384 36 SER CB C 64.82 0.15 1 177 384 36 SER N N 115.02 0.02 1 178 385 37 LYS H H 7.59 0.03 1 179 385 37 LYS HA H 3.83 0.03 1 180 385 37 LYS HB2 H 1.75 0.03 2 181 385 37 LYS HB3 H 1.8 0.03 2 182 385 37 LYS HG2 H 0.74 0.03 2 183 385 37 LYS HG3 H 1.07 0.03 2 184 385 37 LYS HD2 H 1.48 0.03 2 185 385 37 LYS HD3 H 1.64 0.03 2 186 385 37 LYS HE2 H 2.56 0.03 2 187 385 37 LYS HE3 H 2.83 0.03 2 188 385 37 LYS C C 175.88 0.1 1 189 385 37 LYS CA C 60.88 0.14 1 190 385 37 LYS CB C 32.46 0.06 1 191 385 37 LYS CG C 23.57 0.1 1 192 385 37 LYS CD C 30.68 0.1 1 193 385 37 LYS CE C 42.29 0.1 1 194 385 37 LYS N N 122.57 0.04 1 195 386 38 PHE H H 7.71 0.03 1 196 386 38 PHE HA H 4.48 0.03 1 197 386 38 PHE HB2 H 3 0.03 2 198 386 38 PHE HB3 H 3.37 0.03 2 199 386 38 PHE HD1 H 7.31 0.03 3 200 386 38 PHE HD2 H 7.31 0.03 3 201 386 38 PHE HE1 H 7.37 0.03 3 202 386 38 PHE HE2 H 7.37 0.03 3 203 386 38 PHE C C 178.34 0.1 1 204 386 38 PHE CA C 60.77 0.1 1 205 386 38 PHE CB C 38.09 0.16 1 206 386 38 PHE CD1 C 129.92 0.02 1 207 386 38 PHE CD2 C 129.92 0.02 1 208 386 38 PHE CE1 C 131.97 0.1 1 209 386 38 PHE CE2 C 131.97 0.1 1 210 386 38 PHE N N 114.88 0.04 1 211 387 39 ALA H H 7.7 0.03 1 212 387 39 ALA HA H 4.32 0.03 1 213 387 39 ALA HB H 1.64 0.03 1 214 387 39 ALA C C 181.29 0.1 1 215 387 39 ALA CA C 55.16 0.15 1 216 387 39 ALA CB C 18.05 0.08 1 217 387 39 ALA N N 125.07 0.04 1 218 388 40 ILE H H 8.54 0.03 1 219 388 40 ILE HA H 3.81 0.03 1 220 388 40 ILE HB H 1.94 0.03 1 221 388 40 ILE HG12 H 1.63 0.03 2 222 388 40 ILE HG13 H 1.75 0.03 2 223 388 40 ILE HG2 H 1.07 0.03 1 224 388 40 ILE HD1 H 0.94 0.03 1 225 388 40 ILE C C 177.41 0.1 1 226 388 40 ILE CA C 65.32 0.04 1 227 388 40 ILE CB C 38.09 0.04 1 228 388 40 ILE CG1 C 29.72 0.1 1 229 388 40 ILE CG2 C 17.3 0.1 1 230 388 40 ILE CD1 C 14.68 0.1 1 231 388 40 ILE N N 120.35 0.03 1 232 389 41 ILE H H 7.03 0.03 1 233 389 41 ILE HA H 3.81 0.02 1 234 389 41 ILE HB H 2.38 0.01 1 235 389 41 ILE HG12 H 1.61 0.03 2 236 389 41 ILE HG13 H 1.85 0.03 2 237 389 41 ILE HG2 H 1.06 0.03 1 238 389 41 ILE HD1 H 0.83 0.03 1 239 389 41 ILE C C 177.88 0.1 1 240 389 41 ILE CA C 62.95 0.03 1 241 389 41 ILE CB C 35.79 0.07 1 242 389 41 ILE CG1 C 27.46 0.1 1 243 389 41 ILE CG2 C 17.86 0.1 1 244 389 41 ILE CD1 C 10.72 0.1 1 245 389 41 ILE N N 118.44 0.03 1 246 390 42 GLU H H 8.22 0.03 1 247 390 42 GLU HA H 4.14 0.03 1 248 390 42 GLU HB2 H 2.14 0.03 2 249 390 42 GLU HB3 H 2.15 0.03 2 250 390 42 GLU HG2 H 2.3 0.03 2 251 390 42 GLU HG3 H 2.49 0.03 2 252 390 42 GLU C C 178.94 0.1 1 253 390 42 GLU CA C 59.78 0.05 1 254 390 42 GLU CB C 29.59 0.03 1 255 390 42 GLU CG C 36.71 0.1 1 256 390 42 GLU N N 119.73 0.13 1 257 391 43 ALA H H 8.06 0.03 1 258 391 43 ALA HA H 4.26 0.02 1 259 391 43 ALA HB H 1.69 0.01 1 260 391 43 ALA C C 180.93 0.1 1 261 391 43 ALA CA C 55.44 0.15 1 262 391 43 ALA CB C 18.93 0.08 1 263 391 43 ALA N N 122.02 0.03 1 264 392 44 LEU H H 8.44 0.03 1 265 392 44 LEU HA H 4.21 0.03 1 266 392 44 LEU HB2 H 2.23 0.03 2 267 392 44 LEU HB3 H 2.36 0.03 2 268 392 44 LEU HG H 1.68 0.03 1 269 392 44 LEU HD1 H 0.92 0.03 2 270 392 44 LEU HD2 H 1.04 0.03 2 271 392 44 LEU C C 178.34 0.1 1 272 392 44 LEU CA C 57.46 0.08 1 273 392 44 LEU CB C 42.58 0.21 1 274 392 44 LEU CG C 26.85 0.1 1 275 392 44 LEU CD1 C 23.35 0.1 2 276 392 44 LEU CD2 C 26.85 0.1 2 277 392 44 LEU N N 119.1 0.02 1 278 393 45 GLN H H 8.09 0.03 1 279 393 45 GLN HA H 4.15 0.03 1 280 393 45 GLN HB2 H 2.09 0.03 2 281 393 45 GLN HB3 H 2.25 0.03 2 282 393 45 GLN HG2 H 2.52 0.03 2 283 393 45 GLN HG3 H 2.75 0.03 2 284 393 45 GLN C C 177.22 0.1 1 285 393 45 GLN CA C 58.21 0.01 1 286 393 45 GLN CB C 29.01 0.07 1 287 393 45 GLN CG C 34.72 0.1 1 288 393 45 GLN N N 115.82 0.06 1 289 394 46 ARG H H 7.95 0.03 1 290 394 46 ARG HA H 4.46 0.03 1 291 394 46 ARG HB2 H 1.9 0.03 2 292 394 46 ARG HB3 H 1.9 0.03 2 293 394 46 ARG HG2 H 1.71 0.03 2 294 394 46 ARG HG3 H 1.72 0.03 2 295 394 46 ARG HD2 H 3.3 0.03 2 296 394 46 ARG HD3 H 3.31 0.03 2 297 394 46 ARG C C 177.2 0.1 1 298 394 46 ARG CA C 58.31 0.08 1 299 394 46 ARG CB C 32.54 0.06 1 300 394 46 ARG CG C 28.11 0.1 1 301 394 46 ARG CD C 43.7 0.1 1 302 394 46 ARG N N 118.01 0.05 1 303 395 47 ASP H H 8.56 0.03 1 304 395 47 ASP HA H 4.88 0.03 1 305 395 47 ASP HB2 H 2.75 0.03 2 306 395 47 ASP HB3 H 2.76 0.03 2 307 395 47 ASP C C 176.8 0.1 1 308 395 47 ASP CA C 55.41 0.07 1 309 395 47 ASP CB C 43.08 0.1 1 310 395 47 ASP N N 118.01 0.05 1 311 396 48 ALA H H 7.37 0.03 1 312 396 48 ALA HA H 4.11 0.01 1 313 396 48 ALA HB H 1.11 0.01 1 314 396 48 ALA C C 175.97 0.1 1 315 396 48 ALA CA C 52.71 0.15 1 316 396 48 ALA CB C 20.32 0.07 1 317 396 48 ALA N N 122.75 0.04 1 318 397 49 GLN H H 7.36 0.03 1 319 397 49 GLN HA H 4.43 0.03 1 320 397 49 GLN HB2 H 2.11 0.03 2 321 397 49 GLN HB3 H 2.11 0.03 2 322 397 49 GLN HG2 H 2.3 0.03 2 323 397 49 GLN HG3 H 2.31 0.03 2 324 397 49 GLN C C 175.51 0.1 1 325 397 49 GLN CA C 54.32 0.1 1 326 397 49 GLN CB C 30.06 0.09 1 327 397 49 GLN CG C 33.52 0.1 1 328 397 49 GLN N N 119.08 0.02 1 329 398 50 TRP H H 8.36 0.03 1 330 398 50 TRP HA H 4.74 0.03 1 331 398 50 TRP HB2 H 2.86 0.03 2 332 398 50 TRP HB3 H 3.51 0.03 2 333 398 50 TRP HD1 H 7.04 0.03 1 334 398 50 TRP C C 178.59 0.1 1 335 398 50 TRP CA C 56.36 0.1 1 336 398 50 TRP CB C 30.41 0.02 1 337 398 50 TRP CD1 C 128.05 0.06 1 338 398 50 TRP CD2 C 129.15 0.1 1 339 398 50 TRP N N 121.86 0.05 1 340 399 51 GLY H H 8.76 0.03 1 341 399 51 GLY HA2 H 4.36 0.03 2 342 399 51 GLY HA3 H 4.59 0.03 2 343 399 51 GLY C C 174.86 0.1 1 344 399 51 GLY CA C 46.62 0.1 1 345 399 51 GLY N N 113.34 0.04 1 346 400 52 GLU H H 9.44 0.04 1 347 400 52 GLU HA H 4.56 0.03 1 348 400 52 GLU HB2 H 2.29 0.01 2 349 400 52 GLU HB3 H 2.3 0.03 2 350 400 52 GLU HG2 H 2.49 0.03 2 351 400 52 GLU HG3 H 2.5 0.03 2 352 400 52 GLU C C 176.23 0.1 1 353 400 52 GLU CA C 56.67 0.05 1 354 400 52 GLU CB C 29.25 0.14 1 355 400 52 GLU CG C 36.55 0.1 1 356 400 52 GLU N N 126.69 0.37 1 357 401 53 GLY H H 7.86 0.03 1 358 401 53 GLY HA2 H 2.81 0.03 2 359 401 53 GLY HA3 H 3.76 0.03 2 360 401 53 GLY C C 171.64 0.1 1 361 401 53 GLY CA C 45.17 0.09 1 362 401 53 GLY N N 109.34 0.04 1 363 402 54 ASN H H 8.54 0.01 1 364 402 54 ASN HA H 5.09 0.03 1 365 402 54 ASN HB2 H 2.71 0.03 2 366 402 54 ASN HB3 H 2.83 0.03 2 367 402 54 ASN C C 175.01 0.1 1 368 402 54 ASN CA C 52.34 0.1 1 369 402 54 ASN CB C 40.36 0.09 1 370 402 54 ASN N N 120.83 0.03 1 371 403 55 ILE H H 8.87 0.03 1 372 403 55 ILE HA H 4.95 0.03 1 373 403 55 ILE HB H 1.66 0.03 1 374 403 55 ILE HG12 H 1.4 0.03 2 375 403 55 ILE HG13 H 1.68 0.03 2 376 403 55 ILE HG2 H 0.87 0.03 1 377 403 55 ILE C C 175.96 0.1 1 378 403 55 ILE CA C 60.8 0.08 1 379 403 55 ILE CB C 40.04 0.08 1 380 403 55 ILE CG1 C 28.18 0.1 1 381 403 55 ILE CG2 C 17.72 0.1 1 382 403 55 ILE CD1 C 15.01 0.1 1 383 403 55 ILE N N 128.76 0.05 1 384 404 56 THR H H 9.32 0.03 1 385 404 56 THR HA H 4.72 0.03 1 386 404 56 THR HB H 4.73 0.03 1 387 404 56 THR HG2 H 1.29 0.03 1 388 404 56 THR C C 175.45 0.1 1 389 404 56 THR CA C 61.58 0.01 1 390 404 56 THR CB C 71.25 0.15 1 391 404 56 THR N N 122.59 0.04 1 392 405 57 THR H H 8.8 0.01 1 393 405 57 THR HA H 5.28 0.03 1 394 405 57 THR HB H 5.29 0.03 1 395 405 57 THR HG2 H 1.18 0.03 1 396 405 57 THR C C 174.48 0.1 1 397 405 57 THR CA C 60.33 0.01 1 398 405 57 THR CB C 68.51 0.1 1 399 405 57 THR CG2 C 21.57 0.1 1 400 405 57 THR N N 116.29 0.04 1 401 406 58 LEU H H 7.2 0.03 1 402 406 58 LEU HA H 4.22 0.03 1 403 406 58 LEU HB2 H 1.6 0.03 2 404 406 58 LEU HB3 H 1.62 0.03 2 405 406 58 LEU HG H 1.61 0.03 1 406 406 58 LEU HD1 H 0.91 0.03 2 407 406 58 LEU HD2 H 0.92 0.03 2 408 406 58 LEU C C 177.05 0.1 1 409 406 58 LEU CA C 57.16 0.07 1 410 406 58 LEU CB C 42.06 0.2 1 411 406 58 LEU CG C 27.17 0.1 1 412 406 58 LEU CD1 C 22.05 0.1 2 413 406 58 LEU CD2 C 24.13 0.1 2 414 406 58 LEU N N 123.45 0.04 1 415 407 59 ASP H H 8.1 0.03 1 416 407 59 ASP HA H 4.71 0.03 1 417 407 59 ASP HB2 H 2.52 0.03 2 418 407 59 ASP HB3 H 2.7 0.03 2 419 407 59 ASP C C 175.1 0.1 1 420 407 59 ASP CA C 53.68 0.11 1 421 407 59 ASP CB C 40.62 0.09 1 422 407 59 ASP N N 119.28 0.04 1 423 408 60 GLY H H 8.13 0.03 1 424 408 60 GLY HA2 H 3.72 0.03 2 425 408 60 GLY HA3 H 4.66 0.03 2 426 408 60 GLY C C 173.03 0.1 1 427 408 60 GLY CA C 45.58 0.11 1 428 408 60 GLY N N 111.87 0.04 1 429 409 61 VAL H H 9.02 0.03 1 430 409 61 VAL HA H 4.47 0.03 1 431 409 61 VAL HB H 1.99 0.03 1 432 409 61 VAL HG1 H 0.64 0.03 2 433 409 61 VAL HG2 H 0.95 0.03 2 434 409 61 VAL C C 173.17 0.1 1 435 409 61 VAL CA C 61.97 0.01 1 436 409 61 VAL CB C 34.44 0.08 1 437 409 61 VAL CG1 C 20.93 0.1 2 438 409 61 VAL CG2 C 22.44 0.1 2 439 409 61 VAL N N 122.95 0.04 1 440 410 62 ARG H H 8.61 0.03 1 441 410 62 ARG HA H 5.36 0.03 1 442 410 62 ARG HB2 H 1.58 0.03 2 443 410 62 ARG HB3 H 1.76 0.03 2 444 410 62 ARG HG2 H 1.42 0.03 2 445 410 62 ARG HG3 H 1.43 0.03 2 446 410 62 ARG HD2 H 2.62 0.03 2 447 410 62 ARG HD3 H 2.75 0.03 2 448 410 62 ARG C C 174.04 0.1 1 449 410 62 ARG CA C 54.08 0.11 1 450 410 62 ARG CB C 32.71 0.09 1 451 410 62 ARG CG C 28.21 0.1 1 452 410 62 ARG CD C 43.2 0.1 1 453 410 62 ARG N N 129.47 0.05 1 454 411 63 VAL H H 9.17 0.03 1 455 411 63 VAL HA H 4.5 0.03 1 456 411 63 VAL HB H 1.86 0.03 1 457 411 63 VAL HG1 H -0.43 0.03 2 458 411 63 VAL HG2 H 0.34 0.03 2 459 411 63 VAL C C 174.38 0.1 1 460 411 63 VAL CA C 61.07 0.05 1 461 411 63 VAL CB C 33.24 0.04 1 462 411 63 VAL CG1 C 18.67 0.1 2 463 411 63 VAL CG2 C 21.07 0.1 2 464 411 63 VAL N N 127.05 0.03 1 465 412 64 ASP H H 8.63 0.03 1 466 412 64 ASP HA H 5.38 0.03 1 467 412 64 ASP HB2 H 2.59 0.01 2 468 412 64 ASP HB3 H 2.61 0.03 2 469 412 64 ASP C C 175.19 0.1 1 470 412 64 ASP CA C 54.3 0.08 1 471 412 64 ASP CB C 44.35 0.12 1 472 412 64 ASP N N 125.11 0.04 1 473 413 65 TYR H H 9.68 0.03 1 474 413 65 TYR HD1 H 7.15 0.03 3 475 413 65 TYR HD2 H 7.15 0.03 3 476 413 65 TYR C C 174.41 0.1 1 477 413 65 TYR CA C 56.9 0.1 1 478 413 65 TYR CB C 37.66 0.07 1 479 413 65 TYR CD1 C 133.32 0.04 1 480 413 65 TYR CD2 C 133.32 0.04 1 481 413 65 TYR CE1 C 118.49 0.04 1 482 413 65 TYR CE2 C 118.49 0.04 1 483 413 65 TYR N N 124.76 0.04 1 484 414 66 PRO HA H 4.43 0.03 1 485 414 66 PRO HB2 H 2.38 0.03 2 486 414 66 PRO HB3 H 2.57 0.03 2 487 414 66 PRO HG2 H 2.01 0.03 2 488 414 66 PRO HG3 H 2.19 0.03 2 489 414 66 PRO HD2 H 4.16 0.03 2 490 414 66 PRO HD3 H 4.19 0.03 2 491 414 66 PRO C C 178.68 0.1 1 492 414 66 PRO CA C 66.54 0.01 1 493 414 66 PRO CB C 32.32 0.01 1 494 414 66 PRO CG C 28.2 0.1 1 495 414 66 PRO CD C 50.3 0.1 1 496 415 67 LYS H H 8.54 0.03 1 497 415 67 LYS HA H 4.77 0.03 1 498 415 67 LYS HB2 H 2.41 0.03 2 499 415 67 LYS HB3 H 2.42 0.03 2 500 415 67 LYS HG2 H 1.45 0.03 2 501 415 67 LYS HG3 H 1.47 0.03 2 502 415 67 LYS HD2 H 1.77 0.03 2 503 415 67 LYS HD3 H 1.77 0.03 2 504 415 67 LYS HE2 H 3.07 0.03 2 505 415 67 LYS HE3 H 3.08 0.03 2 506 415 67 LYS C C 175.06 0.1 1 507 415 67 LYS CA C 54.89 0.05 1 508 415 67 LYS CB C 32.92 0.07 1 509 415 67 LYS CG C 24.78 0.1 1 510 415 67 LYS CD C 29.19 0.1 1 511 415 67 LYS CE C 41.95 0.1 1 512 415 67 LYS N N 112.19 0.05 1 513 416 68 GLY H H 7.49 0.03 1 514 416 68 GLY HA2 H 4.35 0.03 2 515 416 68 GLY HA3 H 4.59 0.03 2 516 416 68 GLY C C 170.35 0.1 1 517 416 68 GLY CA C 47.16 0.09 1 518 416 68 GLY N N 106.45 0.06 1 519 417 69 TRP H H 9.4 0.03 1 520 417 69 TRP HA H 5.92 0.03 1 521 417 69 TRP HB2 H 3.34 0.03 2 522 417 69 TRP HB3 H 3.82 0.03 2 523 417 69 TRP HD1 H 6.89 0.03 1 524 417 69 TRP C C 174.35 0.1 1 525 417 69 TRP CA C 55.44 0.07 1 526 417 69 TRP CB C 33.04 0.05 1 527 417 69 TRP CD1 C 127.61 0.06 1 528 417 69 TRP CD2 C 128.69 0.1 1 529 417 69 TRP N N 117.27 0.04 1 530 418 70 GLY H H 8.69 0.03 1 531 418 70 GLY HA2 H 3.12 0.03 2 532 418 70 GLY HA3 H 4.93 0.03 2 533 418 70 GLY C C 171.24 0.1 1 534 418 70 GLY CA C 45.65 0.12 1 535 418 70 GLY N N 103.05 0.03 1 536 419 71 LEU H H 8.15 0.03 1 537 419 71 LEU HA H 5.59 0.03 1 538 419 71 LEU HB2 H 1.61 0.03 2 539 419 71 LEU HB3 H 1.62 0.03 2 540 419 71 LEU HG H 1.72 0.03 1 541 419 71 LEU HD1 H 0.83 0.03 2 542 419 71 LEU HD2 H 0.84 0.03 2 543 419 71 LEU C C 174.25 0.1 1 544 419 71 LEU CA C 53.92 0.03 1 545 419 71 LEU CB C 46.84 0.1 1 546 419 71 LEU CG C 26.97 0.1 1 547 419 71 LEU CD1 C 23.96 0.1 2 548 419 71 LEU CD2 C 23.96 0.1 2 549 419 71 LEU N N 122.47 0.04 1 550 420 72 VAL H H 9.05 0.03 1 551 420 72 VAL HA H 5.22 0.03 1 552 420 72 VAL HB H 2.18 0.03 1 553 420 72 VAL HG1 H 1.14 0.03 2 554 420 72 VAL HG2 H 1.14 0.03 2 555 420 72 VAL C C 172.81 0.1 1 556 420 72 VAL CA C 59.7 0.1 1 557 420 72 VAL CB C 34.42 0.07 1 558 420 72 VAL CG1 C 19.51 0.1 2 559 420 72 VAL CG2 C 21.11 0.1 2 560 420 72 VAL N N 121.57 0.04 1 561 421 73 ARG H H 9.14 0.03 1 562 421 73 ARG HA H 4.94 0.03 1 563 421 73 ARG HB2 H 1.56 0.03 2 564 421 73 ARG HB3 H 1.76 0.03 2 565 421 73 ARG HG2 H 1.39 0.03 2 566 421 73 ARG HG3 H 1.4 0.03 2 567 421 73 ARG HD2 H 3.12 0.03 2 568 421 73 ARG HD3 H 3.13 0.03 2 569 421 73 ARG C C 174.18 0.1 1 570 421 73 ARG CA C 54.27 0.07 1 571 421 73 ARG CB C 33.84 0.05 1 572 421 73 ARG CG C 26.66 0.1 1 573 421 73 ARG CD C 43.73 0.1 1 574 421 73 ARG N N 124.74 0.05 1 575 422 74 ALA H H 9.23 0.03 1 576 422 74 ALA HA H 4.78 0.01 1 577 422 74 ALA HB H 1.07 0.02 1 578 422 74 ALA C C 177.66 0.1 1 579 422 74 ALA CA C 50.97 0.14 1 580 422 74 ALA CB C 19.4 0.07 1 581 422 74 ALA N N 124.91 0.05 1 582 423 75 SER H H 8.28 0.03 1 583 423 75 SER HA H 4.45 0.01 1 584 423 75 SER HB2 H 3.71 0.03 2 585 423 75 SER HB3 H 3.72 0.03 2 586 423 75 SER C C 175.73 0.1 1 587 423 75 SER CA C 57.59 0.09 1 588 423 75 SER CB C 63.74 0.1 1 589 423 75 SER N N 116.79 0.03 1 590 427 79 PRO HA H 4.69 0.01 1 591 427 79 PRO HB2 H 2.16 0.01 2 592 427 79 PRO HB3 H 2.55 0.03 2 593 427 79 PRO HG2 H 1.76 0.03 2 594 427 79 PRO HG3 H 1.77 0.03 2 595 427 79 PRO HD2 H 3.73 0.03 2 596 427 79 PRO HD3 H 3.74 0.03 2 597 427 79 PRO C C 173.57 0.1 1 598 427 79 PRO CA C 62.53 0.11 1 599 427 79 PRO CB C 34.72 0.1 1 600 427 79 PRO CG C 26.78 0.12 1 601 427 79 PRO CD C 50.32 0.1 1 602 428 80 VAL H H 7.93 0.01 1 603 428 80 VAL HA H 5.18 0.03 1 604 428 80 VAL HB H 1.9 0.03 1 605 428 80 VAL HG1 H 0.79 0.03 2 606 428 80 VAL HG2 H 0.8 0.03 2 607 428 80 VAL C C 175.43 0.1 1 608 428 80 VAL CA C 60.03 0.05 1 609 428 80 VAL CB C 37.12 0.04 1 610 428 80 VAL CG1 C 19.96 0.1 2 611 428 80 VAL CG2 C 21.6 0.1 2 612 428 80 VAL N N 119.19 0.04 1 613 429 81 LEU H H 8.9 0.03 1 614 429 81 LEU HA H 5.02 0.03 1 615 429 81 LEU HB2 H 1.79 0.03 2 616 429 81 LEU HB3 H 1.79 0.03 2 617 429 81 LEU HG H 1.31 0.03 1 618 429 81 LEU HD1 H 0.9 0.03 2 619 429 81 LEU HD2 H 0.91 0.03 2 620 429 81 LEU C C 175.15 0.1 1 621 429 81 LEU CA C 53.06 0.05 1 622 429 81 LEU CB C 44.15 0.1 1 623 429 81 LEU CG C 27.63 0.1 1 624 429 81 LEU CD1 C 22.88 0.1 2 625 429 81 LEU CD2 C 26.16 0.1 2 626 429 81 LEU N N 122.48 0.03 1 627 430 82 VAL H H 9.27 0.03 1 628 430 82 VAL HA H 4.87 0.03 1 629 430 82 VAL HB H 1.81 0.03 1 630 430 82 VAL HG1 H 0.85 0.03 2 631 430 82 VAL HG2 H 0.85 0.03 2 632 430 82 VAL C C 175.55 0.1 1 633 430 82 VAL CA C 61.27 0.08 1 634 430 82 VAL CB C 33.58 0.04 1 635 430 82 VAL CG1 C 18.99 0.1 2 636 430 82 VAL CG2 C 20.82 0.1 2 637 430 82 VAL N N 123.36 0.05 1 638 431 83 LEU H H 9.25 0.03 1 639 431 83 LEU HA H 5.64 0.03 1 640 431 83 LEU HB2 H 1.93 0.03 2 641 431 83 LEU HB3 H 1.94 0.03 2 642 431 83 LEU HG H 1.32 0.03 1 643 431 83 LEU HD1 H 1.05 0.03 2 644 431 83 LEU HD2 H 1.06 0.03 2 645 431 83 LEU C C 175.45 0.1 1 646 431 83 LEU CA C 54.57 0.1 1 647 431 83 LEU CB C 45.09 0.1 1 648 431 83 LEU CG C 28.61 0.1 1 649 431 83 LEU CD1 C 26.44 0.1 2 650 431 83 LEU CD2 C 26.57 0.1 2 651 431 83 LEU N N 127.33 0.04 1 652 432 84 ARG H H 7.46 0.03 1 653 432 84 ARG HA H 4.13 0.03 1 654 432 84 ARG HB2 H 1.72 0.03 2 655 432 84 ARG HB3 H 1.72 0.03 2 656 432 84 ARG HG2 H 1.57 0.03 2 657 432 84 ARG HG3 H 1.57 0.03 2 658 432 84 ARG HD2 H 3.22 0.03 2 659 432 84 ARG HD3 H 3.22 0.03 2 660 432 84 ARG C C 172.09 0.1 1 661 432 84 ARG CA C 55.5 0.01 1 662 432 84 ARG CB C 35.19 0.03 1 663 432 84 ARG CG C 28.1 0.1 1 664 432 84 ARG CD C 44.04 0.1 1 665 432 84 ARG N N 117.67 0.04 1 666 433 85 PHE H H 7.44 0.03 1 667 433 85 PHE HA H 4.85 0.03 1 668 433 85 PHE HB2 H 2.38 0.03 2 669 433 85 PHE HB3 H 2.7 0.03 2 670 433 85 PHE HD1 H 6.68 0.03 3 671 433 85 PHE HD2 H 6.68 0.03 3 672 433 85 PHE HE1 H 5.92 0.03 3 673 433 85 PHE HE2 H 5.92 0.03 3 674 433 85 PHE C C 174.21 0.1 1 675 433 85 PHE CA C 55.86 0.14 1 676 433 85 PHE CB C 44.21 0.05 1 677 433 85 PHE CD1 C 131.91 0.04 1 678 433 85 PHE CD2 C 131.91 0.04 1 679 433 85 PHE CE1 C 129.51 0.1 1 680 433 85 PHE CE2 C 129.51 0.1 1 681 433 85 PHE N N 116.98 0.04 1 682 434 86 GLU H H 7.79 0.03 1 683 434 86 GLU HA H 4.52 0.03 1 684 434 86 GLU HB2 H 1.1 0.03 2 685 434 86 GLU HB3 H 1.1 0.03 2 686 434 86 GLU HG2 H 1.97 0.03 2 687 434 86 GLU HG3 H 1.97 0.03 2 688 434 86 GLU C C 173.43 0.1 1 689 434 86 GLU CA C 55.63 0.08 1 690 434 86 GLU CB C 33.23 0.04 1 691 434 86 GLU CG C 37.34 0.1 1 692 434 86 GLU N N 121.46 0.03 1 693 435 87 ALA H H 8.46 0.03 1 694 435 87 ALA HA H 5.26 0.03 1 695 435 87 ALA HB H 1.52 0.03 1 696 435 87 ALA C C 176.99 0.1 1 697 435 87 ALA CA C 51.68 0.15 1 698 435 87 ALA CB C 23.68 0.09 1 699 435 87 ALA N N 120.92 0.01 1 700 436 88 ASP H H 8.67 0.03 1 701 436 88 ASP HA H 4.57 0.03 1 702 436 88 ASP HB2 H 2.76 0.03 2 703 436 88 ASP HB3 H 2.94 0.03 2 704 436 88 ASP C C 176.69 0.1 1 705 436 88 ASP CA C 56.35 0.07 1 706 436 88 ASP CB C 42.01 0.2 1 707 436 88 ASP N N 116.87 0.05 1 708 437 89 THR H H 7.29 0.03 1 709 437 89 THR HA H 3.87 0.01 1 710 437 89 THR HB H 4.45 0.03 1 711 437 89 THR HG2 H 1.89 0.03 1 712 437 89 THR C C 174.65 0.1 1 713 437 89 THR CA C 58.59 0.13 1 714 437 89 THR CB C 73.48 0.1 1 715 437 89 THR CG2 C 22.42 0.1 1 716 437 89 THR N N 104.94 0.06 1 717 438 90 GLU H H 9.29 0.03 1 718 438 90 GLU HA H 3.96 0.01 1 719 438 90 GLU HB2 H 2.08 0.03 2 720 438 90 GLU HB3 H 2.1 0.02 2 721 438 90 GLU HG2 H 2.39 0.03 2 722 438 90 GLU HG3 H 2.39 0.03 2 723 438 90 GLU C C 178.63 0.1 1 724 438 90 GLU CA C 60.05 0.09 1 725 438 90 GLU CB C 29.31 0.12 1 726 438 90 GLU CG C 36.74 0.1 1 727 438 90 GLU N N 123.69 0.1 1 728 439 91 GLU H H 8.77 0.03 1 729 439 91 GLU HA H 4.06 0.03 1 730 439 91 GLU HB2 H 1.98 0.03 2 731 439 91 GLU HB3 H 1.98 0.03 2 732 439 91 GLU HG2 H 2.16 0.03 2 733 439 91 GLU HG3 H 2.37 0.03 2 734 439 91 GLU C C 179.35 0.1 1 735 439 91 GLU CA C 60.02 0.09 1 736 439 91 GLU CB C 28.9 0.22 1 737 439 91 GLU CG C 36.65 0.1 1 738 439 91 GLU N N 120.09 0.03 1 739 440 92 GLU H H 7.86 0.03 1 740 440 92 GLU HA H 4.4 0.03 1 741 440 92 GLU HB2 H 1.96 0.03 2 742 440 92 GLU HB3 H 2.25 0.03 2 743 440 92 GLU HG2 H 2.42 0.03 2 744 440 92 GLU HG3 H 2.43 0.03 2 745 440 92 GLU C C 177.89 0.1 1 746 440 92 GLU CA C 57.82 0.06 1 747 440 92 GLU CB C 28.71 0.1 1 748 440 92 GLU CG C 34.84 0.1 1 749 440 92 GLU N N 122.39 0.03 1 750 441 93 LEU H H 8.03 0.03 1 751 441 93 LEU HA H 3.66 0.03 1 752 441 93 LEU HB2 H 1.46 0.03 2 753 441 93 LEU HB3 H 2.1 0.03 2 754 441 93 LEU HG H 1.29 0.03 1 755 441 93 LEU HD1 H 0.67 0.03 2 756 441 93 LEU HD2 H 0.83 0.03 2 757 441 93 LEU C C 178.49 0.1 1 758 441 93 LEU CA C 58.66 0.24 1 759 441 93 LEU CB C 41.72 0.08 1 760 441 93 LEU CG C 25.95 0.1 1 761 441 93 LEU CD1 C 24.12 0.1 2 762 441 93 LEU CD2 C 24.15 0.1 2 763 441 93 LEU N N 122.31 0.04 1 764 442 94 GLU H H 7.92 0.03 1 765 442 94 GLU HA H 3.96 0.03 1 766 442 94 GLU HB2 H 2.07 0.03 2 767 442 94 GLU HB3 H 2.07 0.03 2 768 442 94 GLU HG2 H 2.38 0.03 2 769 442 94 GLU HG3 H 2.38 0.03 2 770 442 94 GLU C C 179.17 0.1 1 771 442 94 GLU CA C 58.68 0.13 1 772 442 94 GLU CB C 28.82 0.08 1 773 442 94 GLU CG C 35.66 0.1 1 774 442 94 GLU N N 116.73 0.04 1 775 443 95 ARG H H 7.84 0.03 1 776 443 95 ARG HA H 3.98 0.03 1 777 443 95 ARG HB2 H 1.97 0.03 2 778 443 95 ARG HB3 H 1.97 0.03 2 779 443 95 ARG HG2 H 1.42 0.03 2 780 443 95 ARG HG3 H 1.73 0.03 2 781 443 95 ARG HD2 H 3.01 0.03 2 782 443 95 ARG HD3 H 3.32 0.03 2 783 443 95 ARG C C 179.17 0.1 1 784 443 95 ARG CA C 60.09 0.1 1 785 443 95 ARG CB C 30.32 0.15 1 786 443 95 ARG CG C 26.91 0.1 1 787 443 95 ARG CD C 42.83 0.1 1 788 443 95 ARG N N 123.59 0.05 1 789 444 96 ILE H H 8.35 0.03 1 790 444 96 ILE HA H 3.56 0.01 1 791 444 96 ILE HB H 1.73 0.02 1 792 444 96 ILE HG12 H 1.15 0.03 2 793 444 96 ILE HG13 H 1.15 0.03 2 794 444 96 ILE HG2 H 0.93 0.03 1 795 444 96 ILE HD1 H 0.65 0.03 1 796 444 96 ILE C C 178.48 0.1 1 797 444 96 ILE CA C 66.2 0.03 1 798 444 96 ILE CB C 38.54 0.06 1 799 444 96 ILE CG1 C 29.46 0.1 1 800 444 96 ILE CG2 C 17.83 0.1 1 801 444 96 ILE CD1 C 14.28 0.1 1 802 444 96 ILE N N 121.42 0.01 1 803 445 97 LYS H H 8.37 0.03 1 804 445 97 LYS HA H 3.29 0.03 1 805 445 97 LYS HB2 H 1.71 0.03 2 806 445 97 LYS HB3 H 1.71 0.03 2 807 445 97 LYS HG2 H 0.76 0.03 2 808 445 97 LYS HG3 H 0.78 0.03 2 809 445 97 LYS HD2 H 1.31 0.03 2 810 445 97 LYS HD3 H 1.51 0.03 2 811 445 97 LYS HE2 H 2.34 0.03 2 812 445 97 LYS HE3 H 2.51 0.03 2 813 445 97 LYS C C 178.79 0.1 1 814 445 97 LYS CA C 60.89 0.06 1 815 445 97 LYS CB C 32.42 0.05 1 816 445 97 LYS CG C 24.88 0.1 1 817 445 97 LYS CD C 30.1 0.1 1 818 445 97 LYS CE C 41.58 0.1 1 819 445 97 LYS N N 120.05 0.02 1 820 446 98 THR H H 8.09 0.03 1 821 446 98 THR HA H 4.03 0.03 1 822 446 98 THR HB H 4.03 0.03 1 823 446 98 THR HG2 H 1.29 0.03 1 824 446 98 THR C C 175.73 0.1 1 825 446 98 THR CA C 67.21 0.09 1 826 446 98 THR CB C 68.54 0.01 1 827 446 98 THR CG2 C 21.58 0.1 1 828 446 98 THR N N 116.83 0.04 1 829 447 99 VAL H H 7.98 0.03 1 830 447 99 VAL HA H 3.9 0.03 1 831 447 99 VAL HB H 2.73 0.03 1 832 447 99 VAL HG1 H 1.22 0.03 2 833 447 99 VAL HG2 H 1.38 0.03 2 834 447 99 VAL C C 179.51 0.1 1 835 447 99 VAL CA C 66.92 0.28 1 836 447 99 VAL CB C 31.98 0.05 1 837 447 99 VAL CG1 C 21.4 0.1 2 838 447 99 VAL CG2 C 22.28 0.1 2 839 447 99 VAL N N 122.82 0.01 1 840 448 100 PHE H H 8.68 0.03 1 841 448 100 PHE HA H 4.36 0.03 1 842 448 100 PHE HB2 H 3.13 0.03 2 843 448 100 PHE HB3 H 3.14 0.03 2 844 448 100 PHE HD1 H 6.92 0.03 3 845 448 100 PHE HD2 H 6.92 0.03 3 846 448 100 PHE HE1 H 7.34 0.03 3 847 448 100 PHE HE2 H 7.34 0.03 3 848 448 100 PHE C C 178.05 0.1 1 849 448 100 PHE CA C 63.46 0.06 1 850 448 100 PHE CB C 40.01 0.04 1 851 448 100 PHE CD1 C 132.19 0.02 1 852 448 100 PHE CD2 C 132.19 0.02 1 853 448 100 PHE CE1 C 131.14 0.1 1 854 448 100 PHE CE2 C 131.14 0.1 1 855 448 100 PHE N N 119.44 0.04 1 856 449 101 ARG H H 9.51 0.03 1 857 449 101 ARG HA H 3.85 0.03 1 858 449 101 ARG HB2 H 1.95 0.03 2 859 449 101 ARG HB3 H 2.12 0.03 2 860 449 101 ARG HG2 H 1.41 0.03 2 861 449 101 ARG HG3 H 1.43 0.03 2 862 449 101 ARG HD2 H 3.25 0.03 2 863 449 101 ARG HD3 H 3.25 0.03 2 864 449 101 ARG C C 178.11 0.1 1 865 449 101 ARG CA C 60.66 0.05 1 866 449 101 ARG CB C 30.48 0.03 1 867 449 101 ARG CG C 28.33 0.1 1 868 449 101 ARG CD C 43.35 0.09 1 869 449 101 ARG N N 121.79 0.04 1 870 450 102 ASN H H 8.38 0.03 1 871 450 102 ASN HA H 4.45 0.02 1 872 450 102 ASN HB2 H 2.73 0.02 2 873 450 102 ASN HB3 H 3.12 0.03 2 874 450 102 ASN C C 178.91 0.1 1 875 450 102 ASN CA C 55.61 0.08 1 876 450 102 ASN CB C 37.55 0.06 1 877 450 102 ASN N N 116.29 0.05 1 878 451 103 GLN H H 8.4 0.03 1 879 451 103 GLN HA H 4.03 0.03 1 880 451 103 GLN HB2 H 1.6 0.03 2 881 451 103 GLN HB3 H 1.6 0.03 2 882 451 103 GLN HG2 H 2.24 0.03 2 883 451 103 GLN HG3 H 2.24 0.03 2 884 451 103 GLN C C 178.5 0.1 1 885 451 103 GLN CA C 57.72 0.05 1 886 451 103 GLN CB C 27.62 0.03 1 887 451 103 GLN CG C 33.03 0.1 1 888 451 103 GLN N N 120.14 0.02 1 889 452 104 LEU H H 8.51 0.03 1 890 452 104 LEU HA H 4.03 0.03 1 891 452 104 LEU HB2 H 2.06 0.03 2 892 452 104 LEU HB3 H 2.07 0.03 2 893 452 104 LEU HG H 1.45 0.03 1 894 452 104 LEU HD1 H 1 0.03 2 895 452 104 LEU HD2 H 1.2 0.03 2 896 452 104 LEU C C 178.19 0.1 1 897 452 104 LEU CA C 58.84 0.1 1 898 452 104 LEU CB C 41.46 0.04 1 899 452 104 LEU CG C 28.15 0.1 1 900 452 104 LEU CD1 C 24.11 0.1 2 901 452 104 LEU CD2 C 26.48 0.1 2 902 452 104 LEU N N 120.52 0.02 1 903 453 105 LYS H H 7.86 0.03 1 904 453 105 LYS HA H 4.14 0.03 1 905 453 105 LYS HB2 H 1.96 0.03 2 906 453 105 LYS HB3 H 1.96 0.03 2 907 453 105 LYS HG2 H 1.48 0.03 2 908 453 105 LYS HG3 H 1.64 0.03 2 909 453 105 LYS HD2 H 1.79 0.03 2 910 453 105 LYS HD3 H 1.79 0.03 2 911 453 105 LYS HE2 H 3.02 0.03 2 912 453 105 LYS HE3 H 3.04 0.03 2 913 453 105 LYS C C 178.09 0.1 1 914 453 105 LYS CA C 57.6 0.04 1 915 453 105 LYS CB C 32.17 0.07 1 916 453 105 LYS CG C 25.19 0.1 1 917 453 105 LYS CD C 29.4 0.1 1 918 453 105 LYS CE C 42.43 0.1 1 919 453 105 LYS N N 115.93 0.04 1 920 454 106 ALA H H 7.39 0.03 1 921 454 106 ALA HA H 4.13 0.03 1 922 454 106 ALA HB H 1.47 0.03 1 923 454 106 ALA C C 179.77 0.1 1 924 454 106 ALA CA C 54.05 0.13 1 925 454 106 ALA CB C 18.08 0.06 1 926 454 106 ALA N N 119.62 0.02 1 927 455 107 VAL H H 7.38 0.03 1 928 455 107 VAL HA H 4.02 0.03 1 929 455 107 VAL HB H 2.32 0.03 1 930 455 107 VAL HG1 H 1.07 0.03 2 931 455 107 VAL HG2 H 1.08 0.03 2 932 455 107 VAL C C 176.76 0.1 1 933 455 107 VAL CA C 64.27 0.02 1 934 455 107 VAL CB C 31.94 0.04 1 935 455 107 VAL CG1 C 20.14 0.1 2 936 455 107 VAL CG2 C 21.69 0.1 2 937 455 107 VAL N N 116.68 0.04 1 938 456 108 ASP H H 7.82 0.03 1 939 456 108 ASP HA H 4.68 0.03 1 940 456 108 ASP HB2 H 2.62 0.03 2 941 456 108 ASP HB3 H 2.8 0.03 2 942 456 108 ASP C C 175.74 0.1 1 943 456 108 ASP CA C 54.29 0.1 1 944 456 108 ASP CB C 41.47 0.12 1 945 456 108 ASP N N 119.12 0.04 1 946 457 109 SER H H 8.7 0.03 1 947 457 109 SER HA H 4.59 0.03 1 948 457 109 SER HB2 H 4.23 0.03 2 949 457 109 SER HB3 H 4.41 0.03 2 950 457 109 SER HG H 4.71 0.03 1 951 457 109 SER C C 175.63 0.1 1 952 457 109 SER CA C 60.7 0.09 1 953 457 109 SER CB C 63.24 0.06 1 954 457 109 SER N N 121.76 0.03 1 955 458 110 SER H H 8.86 0.03 1 956 458 110 SER HA H 4.72 0.03 1 957 458 110 SER HB2 H 4.36 0.03 2 958 458 110 SER HB3 H 4.54 0.03 2 959 458 110 SER HG H 4.84 0.03 1 960 458 110 SER C C 175.02 0.1 1 961 458 110 SER CA C 58.9 0.07 1 962 458 110 SER CB C 64.49 0.07 1 963 458 110 SER N N 119.02 0.04 1 964 459 111 LEU H H 7.39 0.03 1 965 459 111 LEU HA H 4.44 0.01 1 966 459 111 LEU HB2 H 1.68 0.03 2 967 459 111 LEU HB3 H 1.69 0.03 2 968 459 111 LEU HG H 1.45 0.03 1 969 459 111 LEU HD1 H 0.89 0.03 2 970 459 111 LEU HD2 H 0.98 0.03 2 971 459 111 LEU C C 175.63 0.1 1 972 459 111 LEU CA C 53.74 0.1 1 973 459 111 LEU CB C 43.03 0.1 1 974 459 111 LEU N N 126.9 0.03 1 975 460 112 PRO HA H 4.67 0.03 1 976 460 112 PRO HB2 H 2.43 0.03 2 977 460 112 PRO HB3 H 2.45 0.03 2 978 460 112 PRO HG2 H 2.14 0.03 2 979 460 112 PRO HG3 H 2.31 0.03 2 980 460 112 PRO HD2 H 3.62 0.03 2 981 460 112 PRO HD3 H 4.18 0.03 2 982 460 112 PRO C C 175.27 0.1 1 983 460 112 PRO CA C 61.96 0.05 1 984 460 112 PRO CB C 29.74 0.08 1 985 460 112 PRO CG C 27.68 0.1 1 986 460 112 PRO CD C 50.93 0.1 1 987 461 113 VAL H H 8.03 0.03 1 988 461 113 VAL HA H 4.2 0.01 1 989 461 113 VAL HB H 1.9 0.03 1 990 461 113 VAL HG1 H 0.41 0.03 2 991 461 113 VAL HG2 H 0.9 0.03 2 992 461 113 VAL C C 175.92 0.1 1 993 461 113 VAL CA C 59.9 0.12 1 994 461 113 VAL CB C 32.41 0.1 1 995 461 113 VAL N N 123.5 0.06 1 996 462 114 PRO HA H 4.86 0.03 1 997 462 114 PRO HB2 H 2.39 0.03 2 998 462 114 PRO HB3 H 2.55 0.03 2 999 462 114 PRO HG2 H 1.99 0.03 2 1000 462 114 PRO HG3 H 2.1 0.03 2 1001 462 114 PRO HD2 H 3.49 0.03 2 1002 462 114 PRO HD3 H 4.07 0.03 2 1003 462 114 PRO C C 174.33 0.1 1 1004 462 114 PRO CA C 63.57 0.07 1 1005 462 114 PRO CB C 30.46 0.04 1 1006 462 114 PRO CG C 26.78 0.1 1 1007 462 114 PRO CD C 50.93 0.1 1 1008 463 115 PHE H H 6.95 0.03 1 1009 463 115 PHE HD1 H 7.58 0.03 3 1010 463 115 PHE HD2 H 7.59 0.03 3 1011 463 115 PHE C C 178.91 0.1 1 1012 463 115 PHE CA C 57.27 0.1 1 1013 463 115 PHE CB C 40.08 0.07 1 1014 463 115 PHE CD2 C 131.4 0.01 3 1015 463 115 PHE CE1 C 130.87 0.1 3 1016 463 115 PHE N N 123.19 0.05 1 stop_ save_