data_34226 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of CaM/Kv7.2-hAB Complex ; _BMRB_accession_number 34226 _BMRB_flat_file_name bmr34226.str _Entry_type original _Submission_date 2018-01-02 _Accession_date 2018-01-02 _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 Bernardo-Seisdedos G. . . 2 Villarroel A. . . 3 Millet O. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1366 "13C chemical shifts" 991 "15N chemical shifts" 239 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-13 update BMRB 'update entry citation' 2018-02-19 original author 'original release' stop_ _Original_release_date 2018-02-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis and energy landscape for the Ca2+-gating and calmodulation of the Kv7.2 K+channel ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29463698 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bernardo-Seisdedos G. . . 2 Nunez-Viadero E. . . 3 Gomis-Perez C. . . 4 Malo C. . . 5 Villarroel A. . . 6 Millet O. . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 115 _Journal_issue 10 _Journal_ASTM PNASA6 _Journal_ISSN 1091-6490 _Journal_CSD 0040 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2395 _Page_last 2400 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CaM/Kv7.2-hAB Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 'entity_3, 1' $entity_CA 'entity_3, 2' $entity_CA 'entity_3, 3' $entity_CA 'entity_3, 4' $entity_CA stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Potassium voltage-gated channel subfamily KQT member 2, Calmodulin' save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13599.536 _Mol_thiol_state 'all free' _Details 'Potassium voltage-gated channel subfamily KQT member 2' ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; MSYYHHHHHHDYDIPTTENL YFQGAMGILGSGQKHFEKRR NPAAGLIQSAWRFYATNLSR TDLHSTWQYYERTVTVPMYR GLEDLTPGLKVSIRAVCVMR FLVSKRKFKESLRLD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 TYR 4 4 TYR 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 HIS 10 10 HIS 11 11 ASP 12 12 TYR 13 13 ASP 14 14 ILE 15 15 PRO 16 16 THR 17 17 THR 18 18 GLU 19 19 ASN 20 20 LEU 21 21 TYR 22 22 PHE 23 23 GLN 24 24 GLY 25 25 ALA 26 26 MET 27 310 GLY 28 311 ILE 29 312 LEU 30 313 GLY 31 314 SER 32 315 GLY 33 326 GLN 34 327 LYS 35 328 HIS 36 329 PHE 37 330 GLU 38 331 LYS 39 332 ARG 40 333 ARG 41 334 ASN 42 335 PRO 43 336 ALA 44 337 ALA 45 338 GLY 46 339 LEU 47 340 ILE 48 341 GLN 49 342 SER 50 343 ALA 51 344 TRP 52 345 ARG 53 346 PHE 54 347 TYR 55 348 ALA 56 349 THR 57 350 ASN 58 351 LEU 59 352 SER 60 353 ARG 61 354 THR 62 355 ASP 63 356 LEU 64 357 HIS 65 358 SER 66 359 THR 67 360 TRP 68 361 GLN 69 362 TYR 70 363 TYR 71 364 GLU 72 365 ARG 73 366 THR 74 367 VAL 75 368 THR 76 369 VAL 77 370 PRO 78 371 MET 79 372 TYR 80 373 ARG 81 392 GLY 82 393 LEU 83 502 GLU 84 503 ASP 85 504 LEU 86 505 THR 87 506 PRO 88 507 GLY 89 508 LEU 90 509 LYS 91 510 VAL 92 511 SER 93 512 ILE 94 513 ARG 95 514 ALA 96 515 VAL 97 516 CYS 98 517 VAL 99 518 MET 100 519 ARG 101 520 PHE 102 521 LEU 103 522 VAL 104 523 SER 105 524 LYS 106 525 ARG 107 526 LYS 108 527 PHE 109 528 LYS 110 529 GLU 111 530 SER 112 531 LEU 113 532 ARG 114 548 LEU 115 549 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 16852.545 _Mol_thiol_state 'not present' _Details . _Residue_count 149 _Mol_residue_sequence ; MADQLTEEQIAEFKEAFSLF DKDGDGTITTKELGTVMRSL GQNPTEAELQDMINEVDADG NGTIDFPEFLTMMARKMKDT DSEEEIREAFRVFDKDGNGY ISAAELRHVMTNLGEKLTDE EVDEMIREADIDGDGQVNYE EFVQMMTAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 ALA 3 2 ASP 4 3 GLN 5 4 LEU 6 5 THR 7 6 GLU 8 7 GLU 9 8 GLN 10 9 ILE 11 10 ALA 12 11 GLU 13 12 PHE 14 13 LYS 15 14 GLU 16 15 ALA 17 16 PHE 18 17 SER 19 18 LEU 20 19 PHE 21 20 ASP 22 21 LYS 23 22 ASP 24 23 GLY 25 24 ASP 26 25 GLY 27 26 THR 28 27 ILE 29 28 THR 30 29 THR 31 30 LYS 32 31 GLU 33 32 LEU 34 33 GLY 35 34 THR 36 35 VAL 37 36 MET 38 37 ARG 39 38 SER 40 39 LEU 41 40 GLY 42 41 GLN 43 42 ASN 44 43 PRO 45 44 THR 46 45 GLU 47 46 ALA 48 47 GLU 49 48 LEU 50 49 GLN 51 50 ASP 52 51 MET 53 52 ILE 54 53 ASN 55 54 GLU 56 55 VAL 57 56 ASP 58 57 ALA 59 58 ASP 60 59 GLY 61 60 ASN 62 61 GLY 63 62 THR 64 63 ILE 65 64 ASP 66 65 PHE 67 66 PRO 68 67 GLU 69 68 PHE 70 69 LEU 71 70 THR 72 71 MET 73 72 MET 74 73 ALA 75 74 ARG 76 75 LYS 77 76 MET 78 77 LYS 79 78 ASP 80 79 THR 81 80 ASP 82 81 SER 83 82 GLU 84 83 GLU 85 84 GLU 86 85 ILE 87 86 ARG 88 87 GLU 89 88 ALA 90 89 PHE 91 90 ARG 92 91 VAL 93 92 PHE 94 93 ASP 95 94 LYS 96 95 ASP 97 96 GLY 98 97 ASN 99 98 GLY 100 99 TYR 101 100 ILE 102 101 SER 103 102 ALA 104 103 ALA 105 104 GLU 106 105 LEU 107 106 ARG 108 107 HIS 109 108 VAL 110 109 MET 111 110 THR 112 111 ASN 113 112 LEU 114 113 GLY 115 114 GLU 116 115 LYS 117 116 LEU 118 117 THR 119 118 ASP 120 119 GLU 121 120 GLU 122 121 VAL 123 122 ASP 124 123 GLU 125 124 MET 126 125 ILE 127 126 ARG 128 127 GLU 129 128 ALA 130 129 ASP 131 130 ILE 132 131 ASP 133 132 GLY 134 133 ASP 135 134 GLY 136 135 GLN 137 136 VAL 138 137 ASN 139 138 TYR 140 139 GLU 141 140 GLU 142 141 PHE 143 142 VAL 144 143 GLN 145 144 MET 146 145 MET 147 146 THR 148 147 ALA 149 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_CA (CALCIUM ION)" _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens KCNQ2 $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens 'CALM1, CALM, CAM, CAM1' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . Plasmid pPROEX-HTc $entity_2 'recombinant technology' . Escherichia coli . Plasmid pOKD4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [U-100% 13C; U-100% 15N; U-50% 2H] Kv7.2-hAB, 1 mM [U-100% 13C; U-100% 15N; U-50% 2H] Calmodulin, 120 mM potassium chloride, 20 mM MES, 5 mM CaCl2, 2 uM sodium azide, 200 uM [U-2H] DSS, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-100% 13C; U-100% 15N; U-50% 2H]' $entity_2 1 mM '[U-100% 13C; U-100% 15N; U-50% 2H]' 'potassium chloride' 120 mM 'natural abundance' MES 20 mM 'natural abundance' CaCl2 5 mM 'natural abundance' 'sodium azide' 2 uM 'natural abundance' DSS 200 uM [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 500 uM [U-100% 13C; U-100% 15N] Kv7.2-hAB, 500 uM Calmodulin, 120 mM potassium chloride, 20 mM MES, 5 mM CaCl2, 2 uM sodium azide, 200 uM [U-2H] DSS, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 500 uM '[U-100% 13C; U-100% 15N]' $entity_2 500 uM 'natural abundance' 'potassium chloride' 120 mM 'natural abundance' MES 20 mM 'natural abundance' CaCl2 5 mM 'natural abundance' 'sodium azide' 2 uM 'natural abundance' DSS 200 uM [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 250 uM [U-100% 15N] Kv7.2-hAB, 250 uM [U-100% 15N] Calmodulin, 120 mM potassium chloride, 20 mM MES, 5 mM CaCl2, 2 uM sodium azide, 200 uM [U-2H] DSS, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 250 uM '[U-100% 15N]' $entity_2 250 uM '[U-100% 15N]' 'potassium chloride' 120 mM 'natural abundance' MES 20 mM 'natural abundance' CaCl2 5 mM 'natural abundance' 'sodium azide' 2 uM 'natural abundance' DSS 200 uM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRPipe _Version 8.2 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_5 _Saveframe_category software _Name ARIA _Version 2.3.1 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'data analysis' refinement 'structure calculation' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_7 _Saveframe_category software _Name MOLPROBITY _Version . loop_ _Vendor _Address _Electronic_address Richardson . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_8 _Saveframe_category software _Name AQUA _Version . loop_ _Vendor _Address _Electronic_address 'Rullmann, Doreleijers and Kaptein' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_TROSY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY-HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)HA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)HA' _Sample_label $sample_1 save_ save_3D_HN(COCA)HA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)HA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNC(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNC(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_TROSY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY-HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HN(CA)HA_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)HA' _Sample_label $sample_2 save_ save_3D_HN(COCA)HA_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)HA' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HNC(CCO)NH_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNC(CCO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_TROSY-HSQC_25 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_semiTROSY-HSQC_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N semiTROSY-HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_TROSY-HSQC_27 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_semiTROSY-HSQC_28 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N semiTROSY-HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_TROSY-HSQC_29 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY-HSQC_30 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 6 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N TROSY-HSQC' '2D 1H-13C TROSY-HSQC' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HN(CA)HA' '3D HN(COCA)HA' '3D HN(CA)CO' '3D H(CCO)NH' '3D HNC(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-15N semiTROSY-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 9 9 HIS C C 177.232 0.005 1 2 9 9 HIS CA C 58.208 0.000 1 3 9 9 HIS CB C 32.442 0.000 1 4 10 10 HIS H H 8.316 0.008 1 5 10 10 HIS HA H 4.619 0.022 1 6 10 10 HIS HB2 H 3.153 0.004 1 7 10 10 HIS HB3 H 3.169 0.000 1 8 10 10 HIS HD2 H 7.061 0.000 1 9 10 10 HIS C C 174.005 0.003 1 10 10 10 HIS CA C 55.222 0.001 1 11 10 10 HIS CB C 29.345 0.005 1 12 10 10 HIS N N 117.833 0.057 1 13 11 11 ASP H H 8.346 0.008 1 14 11 11 ASP HA H 4.541 0.016 1 15 11 11 ASP HB2 H 2.532 0.001 1 16 11 11 ASP HB3 H 2.476 0.000 1 17 11 11 ASP C C 175.448 0.002 1 18 11 11 ASP CA C 54.342 0.000 1 19 11 11 ASP CB C 41.074 0.041 1 20 11 11 ASP N N 122.097 0.046 1 21 12 12 TYR H H 7.773 0.007 1 22 12 12 TYR HA H 4.569 0.029 1 23 12 12 TYR HB2 H 3.059 0.011 1 24 12 12 TYR HB3 H 2.921 0.000 1 25 12 12 TYR HD1 H 7.018 0.000 1 26 12 12 TYR HD2 H 7.018 0.000 1 27 12 12 TYR HE1 H 6.977 0.000 1 28 12 12 TYR HE2 H 6.977 0.000 1 29 12 12 TYR C C 174.995 0.002 1 30 12 12 TYR CA C 56.874 0.000 1 31 12 12 TYR CB C 39.029 0.037 1 32 12 12 TYR N N 118.782 0.065 1 33 13 13 ASP H H 8.047 0.009 1 34 13 13 ASP HA H 4.637 0.028 1 35 13 13 ASP HB2 H 2.639 0.000 1 36 13 13 ASP HB3 H 2.547 0.000 1 37 13 13 ASP C C 175.191 0.002 1 38 13 13 ASP CA C 53.801 0.000 1 39 13 13 ASP CB C 41.364 0.000 1 40 13 13 ASP N N 121.940 0.058 1 41 14 14 ILE H H 7.789 0.006 1 42 14 14 ILE HA H 4.620 0.000 1 43 14 14 ILE HB H 1.811 0.013 1 44 14 14 ILE HG12 H 1.418 0.000 1 45 14 14 ILE HG13 H 1.635 0.000 1 46 14 14 ILE HG2 H 1.035 0.000 1 47 14 14 ILE HD1 H 0.815 0.011 1 48 14 14 ILE C C 174.080 0.000 1 49 14 14 ILE CA C 58.465 0.000 1 50 14 14 ILE CB C 38.218 0.006 1 51 14 14 ILE CD1 C 12.451 0.002 1 52 14 14 ILE N N 122.234 0.090 1 53 15 15 PRO HA H 4.674 0.007 1 54 15 15 PRO HB2 H 1.893 0.000 1 55 15 15 PRO HB3 H 2.251 0.000 1 56 15 15 PRO HG2 H 2.119 0.002 1 57 15 15 PRO HG3 H 2.128 0.004 1 58 15 15 PRO HD2 H 3.831 0.008 1 59 15 15 PRO HD3 H 3.638 0.002 1 60 15 15 PRO C C 176.809 0.002 1 61 15 15 PRO CA C 62.599 0.001 1 62 15 15 PRO CB C 32.064 0.032 1 63 15 15 PRO CG C 27.230 0.082 1 64 15 15 PRO CD C 50.448 0.005 1 65 16 16 THR H H 8.096 0.008 1 66 16 16 THR HA H 4.446 0.025 1 67 16 16 THR HB H 4.274 0.000 1 68 16 16 THR HG2 H 1.159 0.000 1 69 16 16 THR C C 174.621 0.001 1 70 16 16 THR CA C 61.321 0.002 1 71 16 16 THR CB C 70.034 0.000 1 72 16 16 THR CG2 C 21.252 0.001 1 73 16 16 THR N N 114.633 0.058 1 74 17 17 THR H H 7.923 0.009 1 75 17 17 THR HA H 4.338 0.000 1 76 17 17 THR HG2 H 1.153 0.002 1 77 17 17 THR C C 174.361 0.001 1 78 17 17 THR CA C 61.962 0.000 1 79 17 17 THR CB C 70.575 0.000 1 80 17 17 THR CG2 C 21.257 0.002 1 81 17 17 THR N N 115.316 0.097 1 82 18 18 GLU H H 8.219 0.007 1 83 18 18 GLU HA H 4.280 0.001 1 84 18 18 GLU HB2 H 2.129 0.054 1 85 18 18 GLU HB3 H 1.912 0.000 1 86 18 18 GLU HG2 H 2.205 0.000 1 87 18 18 GLU HG3 H 2.220 0.000 1 88 18 18 GLU C C 175.800 0.001 1 89 18 18 GLU CA C 56.517 0.001 1 90 18 18 GLU CB C 30.104 0.034 1 91 18 18 GLU CG C 35.886 0.001 1 92 18 18 GLU N N 122.857 0.091 1 93 19 19 ASN H H 8.173 0.010 1 94 19 19 ASN HA H 4.663 0.004 1 95 19 19 ASN HB2 H 2.769 0.000 1 96 19 19 ASN HB3 H 2.709 0.001 1 97 19 19 ASN HD21 H 7.181 0.000 1 98 19 19 ASN HD22 H 7.276 0.000 1 99 19 19 ASN C C 174.808 0.001 1 100 19 19 ASN CA C 52.940 0.000 1 101 19 19 ASN CB C 38.469 0.040 1 102 19 19 ASN N N 119.478 0.103 1 103 20 20 LEU H H 7.920 0.006 1 104 20 20 LEU HA H 4.198 0.000 1 105 20 20 LEU HB2 H 1.440 0.002 1 106 20 20 LEU HB3 H 1.312 0.005 1 107 20 20 LEU HG H 1.247 0.006 1 108 20 20 LEU HD1 H 0.822 0.000 1 109 20 20 LEU HD2 H 0.739 0.000 1 110 20 20 LEU C C 176.717 0.001 1 111 20 20 LEU CA C 55.186 0.000 1 112 20 20 LEU CB C 41.786 0.015 1 113 20 20 LEU CG C 25.910 0.003 1 114 20 20 LEU CD1 C 24.860 0.000 1 115 20 20 LEU CD2 C 23.116 0.001 1 116 20 20 LEU N N 122.383 0.064 1 117 21 21 TYR H H 7.863 0.006 1 118 21 21 TYR HA H 4.464 0.005 1 119 21 21 TYR HB2 H 2.912 0.000 1 120 21 21 TYR HB3 H 2.821 0.000 1 121 21 21 TYR HD1 H 6.929 0.000 1 122 21 21 TYR HD2 H 6.929 0.000 1 123 21 21 TYR HE1 H 6.977 0.000 1 124 21 21 TYR HE2 H 6.977 0.000 1 125 21 21 TYR C C 175.370 0.001 1 126 21 21 TYR CA C 57.598 0.000 1 127 21 21 TYR CB C 38.887 0.098 1 128 21 21 TYR N N 119.682 0.103 1 129 22 22 PHE H H 7.809 0.009 1 130 22 22 PHE HA H 4.519 0.018 1 131 22 22 PHE HB2 H 2.959 0.001 1 132 22 22 PHE HB3 H 3.049 0.000 1 133 22 22 PHE HD1 H 7.175 0.000 1 134 22 22 PHE HD2 H 7.175 0.000 1 135 22 22 PHE HE1 H 6.902 0.000 1 136 22 22 PHE HE2 H 6.902 0.000 1 137 22 22 PHE C C 175.273 0.002 1 138 22 22 PHE CA C 57.328 0.000 1 139 22 22 PHE CB C 39.448 0.083 1 140 22 22 PHE N N 120.997 0.101 1 141 23 23 GLN H H 8.068 0.005 1 142 23 23 GLN HA H 4.255 0.005 1 143 23 23 GLN HB2 H 1.920 0.000 1 144 23 23 GLN HB3 H 2.039 0.000 1 145 23 23 GLN HG2 H 2.278 0.000 1 146 23 23 GLN HG3 H 2.220 0.000 1 147 23 23 GLN HE21 H 7.159 0.000 1 148 23 23 GLN HE22 H 6.980 0.000 1 149 23 23 GLN C C 175.780 0.000 1 150 23 23 GLN CA C 55.732 0.000 1 151 23 23 GLN CB C 29.371 0.000 1 152 23 23 GLN CG C 33.723 0.000 1 153 23 23 GLN N N 121.907 0.072 1 154 24 24 GLY H H 7.770 0.008 1 155 24 24 GLY HA2 H 3.834 0.000 1 156 24 24 GLY HA3 H 3.893 0.000 1 157 24 24 GLY C C 173.708 0.002 1 158 24 24 GLY CA C 44.932 0.044 1 159 24 24 GLY N N 109.350 0.020 1 160 25 25 ALA H H 7.997 0.009 1 161 25 25 ALA HA H 4.318 0.018 1 162 25 25 ALA HB H 1.601 1.397 1 163 25 25 ALA C C 177.451 0.001 1 164 25 25 ALA CA C 52.289 0.001 1 165 25 25 ALA CB C 19.736 0.001 1 166 25 25 ALA N N 124.011 0.054 1 167 26 26 MET H H 8.127 0.008 1 168 26 26 MET HA H 4.337 0.000 1 169 26 26 MET HB2 H 2.041 0.000 1 170 26 26 MET HB3 H 1.980 0.000 1 171 26 26 MET HG2 H 2.458 0.000 1 172 26 26 MET HG3 H 2.512 0.000 1 173 26 26 MET HE H 1.316 0.000 1 174 26 26 MET C C 176.355 0.000 1 175 26 26 MET CA C 55.378 0.000 1 176 26 26 MET CB C 33.327 0.000 1 177 26 26 MET CG C 32.142 0.000 1 178 26 26 MET N N 118.451 0.053 1 179 310 27 GLY H H 8.063 0.001 1 180 310 27 GLY HA2 H 3.864 0.000 1 181 310 27 GLY HA3 H 3.954 0.000 1 182 310 27 GLY C C 173.926 0.002 1 183 310 27 GLY CA C 45.121 0.000 1 184 310 27 GLY N N 109.462 0.024 1 185 311 28 ILE H H 7.786 0.007 1 186 311 28 ILE HA H 4.196 0.016 1 187 311 28 ILE HB H 1.912 0.042 1 188 311 28 ILE HG12 H 1.363 0.000 1 189 311 28 ILE HG13 H 1.137 0.000 1 190 311 28 ILE HG2 H 0.896 0.000 1 191 311 28 ILE HD1 H 0.862 0.035 1 192 311 28 ILE C C 176.187 0.002 1 193 311 28 ILE CA C 60.860 0.000 1 194 311 28 ILE CB C 38.707 0.001 1 195 311 28 ILE CG1 C 26.887 0.085 1 196 311 28 ILE CG2 C 17.001 0.002 1 197 311 28 ILE CD1 C 12.786 0.001 1 198 311 28 ILE N N 120.069 0.128 1 199 312 29 LEU H H 8.121 0.008 1 200 312 29 LEU HA H 4.299 0.000 1 201 312 29 LEU HB2 H 1.568 0.000 1 202 312 29 LEU HB3 H 1.642 0.003 1 203 312 29 LEU HG H 1.606 0.000 1 204 312 29 LEU HD1 H 0.861 0.000 1 205 312 29 LEU HD2 H 0.825 0.001 1 206 312 29 LEU C C 177.571 0.002 1 207 312 29 LEU CA C 54.873 0.000 1 208 312 29 LEU CB C 41.788 0.010 1 209 312 29 LEU CG C 26.504 0.002 1 210 312 29 LEU CD1 C 24.648 0.002 1 211 312 29 LEU CD2 C 23.049 0.001 1 212 312 29 LEU N N 125.486 0.081 1 213 313 30 GLY H H 8.183 0.008 1 214 313 30 GLY HA2 H 3.934 0.001 1 215 313 30 GLY HA3 H 3.903 0.001 1 216 313 30 GLY C C 174.164 0.002 1 217 313 30 GLY CA C 44.909 0.001 1 218 313 30 GLY N N 109.769 0.074 1 219 314 31 SER H H 8.091 0.006 1 220 314 31 SER HA H 4.433 0.002 1 221 314 31 SER HB2 H 3.906 0.004 1 222 314 31 SER HB3 H 3.875 0.000 1 223 314 31 SER C C 175.140 0.002 1 224 314 31 SER CA C 58.273 0.002 1 225 314 31 SER CB C 63.314 0.008 1 226 314 31 SER N N 116.024 0.065 1 227 315 32 GLY H H 8.406 0.007 1 228 315 32 GLY HA2 H 3.922 0.000 1 229 315 32 GLY HA3 H 3.906 0.000 1 230 315 32 GLY C C 174.012 0.000 1 231 315 32 GLY CA C 44.978 0.003 1 232 315 32 GLY N N 111.185 0.087 1 233 326 33 GLN H H 8.013 0.001 1 234 326 33 GLN HA H 4.262 0.000 1 235 326 33 GLN HB2 H 2.038 0.000 1 236 326 33 GLN HB3 H 1.957 0.000 1 237 326 33 GLN HG2 H 2.285 0.001 1 238 326 33 GLN HG3 H 2.230 0.000 1 239 326 33 GLN HE21 H 7.187 0.000 1 240 326 33 GLN HE22 H 6.770 0.006 1 241 326 33 GLN C C 176.238 0.002 1 242 326 33 GLN CA C 55.847 0.000 1 243 326 33 GLN CB C 29.736 0.001 1 244 326 33 GLN CG C 33.370 0.002 1 245 326 33 GLN N N 120.250 0.047 1 246 327 34 LYS H H 8.131 0.008 1 247 327 34 LYS HA H 4.210 0.006 1 248 327 34 LYS HB3 H 1.625 0.000 1 249 327 34 LYS HG2 H 1.327 0.000 1 250 327 34 LYS HG3 H 1.263 0.010 1 251 327 34 LYS HD3 H 1.600 0.000 1 252 327 34 LYS HE2 H 3.102 0.000 1 253 327 34 LYS C C 176.742 0.003 1 254 327 34 LYS CA C 56.248 0.002 1 255 327 34 LYS CB C 32.275 0.003 1 256 327 34 LYS CG C 24.194 0.003 1 257 327 34 LYS CD C 28.594 0.001 1 258 327 34 LYS CE C 42.054 0.000 1 259 327 34 LYS N N 121.520 0.114 1 260 328 35 HIS H H 8.132 0.011 1 261 328 35 HIS HA H 4.788 0.052 1 262 328 35 HIS HB3 H 2.983 0.008 1 263 328 35 HIS C C 175.328 0.004 1 264 328 35 HIS CA C 55.957 0.001 1 265 328 35 HIS CB C 29.468 0.001 1 266 328 35 HIS N N 118.528 0.070 1 267 329 36 PHE H H 7.985 0.006 1 268 329 36 PHE HA H 4.349 0.001 1 269 329 36 PHE HB2 H 3.005 0.000 1 270 329 36 PHE HB3 H 3.084 0.000 1 271 329 36 PHE HD1 H 7.115 0.000 1 272 329 36 PHE HD2 H 7.115 0.000 1 273 329 36 PHE HE1 H 7.133 0.000 1 274 329 36 PHE HE2 H 7.133 0.000 1 275 329 36 PHE C C 176.511 0.003 1 276 329 36 PHE CA C 58.541 0.001 1 277 329 36 PHE CB C 39.851 0.000 1 278 329 36 PHE N N 120.634 0.085 1 279 330 37 GLU H H 8.484 0.012 1 280 330 37 GLU HA H 3.947 0.003 1 281 330 37 GLU HB3 H 2.017 0.000 1 282 330 37 GLU HG3 H 2.313 0.002 1 283 330 37 GLU C C 178.138 0.003 1 284 330 37 GLU CA C 58.465 0.000 1 285 330 37 GLU CB C 29.422 0.000 1 286 330 37 GLU CG C 36.028 0.001 1 287 330 37 GLU N N 121.180 0.067 1 288 331 38 LYS H H 7.988 0.012 1 289 331 38 LYS HA H 4.319 0.015 1 290 331 38 LYS HB3 H 1.923 0.000 1 291 331 38 LYS HG3 H 1.530 0.000 1 292 331 38 LYS HD3 H 1.778 0.000 1 293 331 38 LYS HE2 H 3.081 0.000 1 294 331 38 LYS C C 176.962 0.002 1 295 331 38 LYS CA C 57.483 0.000 1 296 331 38 LYS CB C 32.685 0.000 1 297 331 38 LYS CG C 24.839 0.002 1 298 331 38 LYS CD C 29.229 0.000 1 299 331 38 LYS CE C 42.047 0.000 1 300 331 38 LYS N N 118.906 0.129 1 301 332 39 ARG H H 7.696 0.009 1 302 332 39 ARG HA H 4.307 0.000 1 303 332 39 ARG HB3 H 1.736 0.000 1 304 332 39 ARG HG3 H 1.565 0.001 1 305 332 39 ARG HD3 H 2.952 0.014 1 306 332 39 ARG HH11 H 6.854 0.000 1 307 332 39 ARG C C 177.078 0.001 1 308 332 39 ARG CA C 56.296 0.000 1 309 332 39 ARG CB C 31.690 0.000 1 310 332 39 ARG CG C 27.722 0.001 1 311 332 39 ARG CD C 43.331 0.004 1 312 332 39 ARG N N 115.651 0.115 1 313 333 40 ARG H H 7.608 0.009 1 314 333 40 ARG HA H 3.809 0.002 1 315 333 40 ARG HB3 H 1.749 0.000 1 316 333 40 ARG HG3 H 1.404 0.008 1 317 333 40 ARG HD3 H 3.056 0.000 1 318 333 40 ARG HH11 H 7.129 0.000 1 319 333 40 ARG C C 176.701 0.001 1 320 333 40 ARG CA C 59.874 0.002 1 321 333 40 ARG CB C 30.216 0.001 1 322 333 40 ARG CG C 26.636 0.000 1 323 333 40 ARG CD C 41.737 0.002 1 324 333 40 ARG N N 119.423 0.072 1 325 334 41 ASN H H 8.851 0.012 1 326 334 41 ASN HA H 3.760 0.009 1 327 334 41 ASN HB2 H 2.996 0.009 1 328 334 41 ASN HB3 H 2.776 0.036 1 329 334 41 ASN HD21 H 7.174 0.000 2 330 334 41 ASN HD22 H 7.174 0.000 2 331 334 41 ASN C C 175.680 0.000 1 332 334 41 ASN CA C 58.032 0.001 1 333 334 41 ASN CB C 35.959 0.009 1 334 334 41 ASN N N 117.859 0.061 1 335 335 42 PRO HA H 3.908 0.003 1 336 335 42 PRO HB2 H 2.500 0.000 1 337 335 42 PRO HB3 H 2.482 0.000 1 338 335 42 PRO HD2 H 3.748 0.000 1 339 335 42 PRO HD3 H 3.718 0.000 1 340 335 42 PRO C C 178.871 0.000 1 341 335 42 PRO CA C 65.136 0.001 1 342 335 42 PRO CB C 31.566 0.001 1 343 335 42 PRO CG C 27.255 0.000 1 344 335 42 PRO CD C 54.441 0.005 1 345 336 43 ALA H H 8.096 0.013 1 346 336 43 ALA HA H 3.557 0.027 1 347 336 43 ALA HB H 1.602 0.001 1 348 336 43 ALA C C 178.284 0.002 1 349 336 43 ALA CA C 54.644 0.003 1 350 336 43 ALA CB C 19.453 0.001 1 351 336 43 ALA N N 122.344 0.068 1 352 337 44 ALA H H 8.255 0.010 1 353 337 44 ALA HA H 3.651 0.011 1 354 337 44 ALA HB H 1.240 0.003 1 355 337 44 ALA C C 178.480 0.000 1 356 337 44 ALA CA C 55.073 0.000 1 357 337 44 ALA CB C 18.145 0.002 1 358 337 44 ALA N N 120.570 0.043 1 359 338 45 GLY H H 8.349 0.005 1 360 338 45 GLY HA3 H 3.874 0.000 1 361 338 45 GLY C C 176.639 0.002 1 362 338 45 GLY CA C 46.122 0.000 1 363 338 45 GLY N N 102.420 0.080 1 364 339 46 LEU H H 7.674 0.006 1 365 339 46 LEU HA H 3.768 0.029 1 366 339 46 LEU HB3 H 1.606 0.001 1 367 339 46 LEU HG H 1.524 0.000 1 368 339 46 LEU HD2 H 0.754 0.004 1 369 339 46 LEU C C 177.232 0.003 1 370 339 46 LEU CA C 56.708 0.002 1 371 339 46 LEU CB C 40.533 0.002 1 372 339 46 LEU CG C 26.980 0.000 1 373 339 46 LEU CD2 C 21.424 0.000 1 374 339 46 LEU N N 123.924 0.053 1 375 340 47 ILE H H 7.451 0.015 1 376 340 47 ILE HA H 3.810 0.000 1 377 340 47 ILE HB H 1.689 0.004 1 378 340 47 ILE HG12 H 1.119 0.000 1 379 340 47 ILE HG13 H 0.892 0.000 1 380 340 47 ILE HG2 H 0.691 0.025 1 381 340 47 ILE HD1 H 0.794 0.000 1 382 340 47 ILE C C 176.810 0.006 1 383 340 47 ILE CA C 65.957 0.001 1 384 340 47 ILE CB C 39.295 0.001 1 385 340 47 ILE CG1 C 24.052 0.077 1 386 340 47 ILE CG2 C 17.266 0.001 1 387 340 47 ILE CD1 C 13.976 0.002 1 388 340 47 ILE N N 120.711 0.024 1 389 341 48 GLN H H 8.575 0.011 1 390 341 48 GLN HA H 4.117 0.000 1 391 341 48 GLN HB3 H 1.885 0.000 1 392 341 48 GLN HG2 H 2.491 0.000 1 393 341 48 GLN HG3 H 2.425 0.000 1 394 341 48 GLN HE21 H 6.974 0.003 1 395 341 48 GLN HE22 H 6.984 0.003 1 396 341 48 GLN C C 178.257 0.001 1 397 341 48 GLN CA C 58.623 0.000 1 398 341 48 GLN CB C 28.636 0.000 1 399 341 48 GLN N N 117.553 0.002 1 400 342 49 SER H H 8.420 0.011 1 401 342 49 SER HA H 4.033 0.000 1 402 342 49 SER HB3 H 3.508 0.002 1 403 342 49 SER HG H 4.761 0.005 1 404 342 49 SER C C 177.877 0.001 1 405 342 49 SER CA C 61.322 0.000 1 406 342 49 SER CB C 63.685 0.000 1 407 342 49 SER N N 114.478 0.126 1 408 343 50 ALA H H 9.109 0.009 1 409 343 50 ALA HA H 3.867 0.000 1 410 343 50 ALA HB H 1.520 0.002 1 411 343 50 ALA C C 178.491 0.002 1 412 343 50 ALA CA C 54.953 0.000 1 413 343 50 ALA CB C 19.209 0.004 1 414 343 50 ALA N N 129.587 0.039 1 415 344 51 TRP H H 8.725 0.016 1 416 344 51 TRP HA H 4.526 0.001 1 417 344 51 TRP HB3 H 3.350 0.000 1 418 344 51 TRP C C 176.733 0.004 1 419 344 51 TRP CA C 59.377 0.001 1 420 344 51 TRP CB C 29.177 0.001 1 421 344 51 TRP N N 119.657 0.068 1 422 345 52 ARG H H 8.120 0.003 1 423 345 52 ARG HA H 3.775 0.000 1 424 345 52 ARG HB3 H 1.830 0.004 1 425 345 52 ARG HG3 H 1.674 0.000 1 426 345 52 ARG HD2 H 3.272 0.000 1 427 345 52 ARG HD3 H 3.191 0.000 1 428 345 52 ARG C C 177.294 0.001 1 429 345 52 ARG CA C 60.328 0.000 1 430 345 52 ARG CB C 30.222 0.000 1 431 345 52 ARG N N 115.799 0.060 1 432 346 53 PHE H H 7.640 0.010 1 433 346 53 PHE HA H 3.761 0.020 1 434 346 53 PHE HB2 H 3.116 0.005 1 435 346 53 PHE HB3 H 3.253 0.002 1 436 346 53 PHE HD1 H 7.041 0.000 1 437 346 53 PHE HD2 H 7.041 0.000 1 438 346 53 PHE HE1 H 7.055 0.000 1 439 346 53 PHE HE2 H 7.055 0.000 1 440 346 53 PHE C C 176.984 0.001 1 441 346 53 PHE CA C 59.158 0.002 1 442 346 53 PHE CB C 40.059 0.000 1 443 346 53 PHE N N 120.188 0.026 1 444 347 54 TYR H H 8.338 0.003 1 445 347 54 TYR HA H 3.848 0.020 1 446 347 54 TYR HB2 H 2.843 0.001 1 447 347 54 TYR HB3 H 2.759 0.000 1 448 347 54 TYR HD1 H 6.680 0.000 1 449 347 54 TYR HD2 H 6.680 0.000 1 450 347 54 TYR HE1 H 6.539 0.011 1 451 347 54 TYR HE2 H 6.539 0.011 1 452 347 54 TYR C C 177.518 0.001 1 453 347 54 TYR CA C 61.205 0.000 1 454 347 54 TYR CB C 38.421 0.010 1 455 347 54 TYR N N 125.119 0.046 1 456 348 55 ALA H H 8.749 0.008 1 457 348 55 ALA HA H 3.809 0.007 1 458 348 55 ALA HB H 0.673 0.003 1 459 348 55 ALA C C 177.483 0.000 1 460 348 55 ALA CA C 52.327 0.001 1 461 348 55 ALA CB C 17.919 0.003 1 462 348 55 ALA N N 117.928 0.033 1 463 349 56 THR H H 6.623 0.006 1 464 349 56 THR HA H 4.001 0.000 1 465 349 56 THR HB H 3.531 0.178 1 466 349 56 THR HG2 H 0.673 0.001 1 467 349 56 THR C C 172.084 0.000 1 468 349 56 THR CA C 59.530 0.000 1 469 349 56 THR CB C 69.226 0.000 1 470 349 56 THR CG2 C 21.368 0.000 1 471 349 56 THR N N 107.074 0.024 1 472 350 57 ASN H H 6.250 0.005 1 473 350 57 ASN HA H 4.073 0.001 1 474 350 57 ASN HB3 H 2.805 0.003 1 475 350 57 ASN HD21 H 7.163 0.000 1 476 350 57 ASN HD22 H 6.998 0.000 1 477 350 57 ASN C C 178.073 0.001 1 478 350 57 ASN CA C 53.949 0.000 1 479 350 57 ASN CB C 39.939 0.000 1 480 350 57 ASN N N 118.137 0.068 1 481 351 58 LEU H H 8.790 0.007 1 482 351 58 LEU HA H 4.028 0.000 1 483 351 58 LEU HB2 H 1.991 0.000 1 484 351 58 LEU HB3 H 1.748 0.000 1 485 351 58 LEU HG H 1.902 0.000 1 486 351 58 LEU HD2 H 1.087 0.000 1 487 351 58 LEU C C 177.889 0.001 1 488 351 58 LEU CA C 56.582 0.000 1 489 351 58 LEU CB C 41.722 0.002 1 490 351 58 LEU CG C 26.957 0.001 1 491 351 58 LEU CD2 C 22.917 0.000 1 492 351 58 LEU N N 129.184 0.063 1 493 352 59 SER H H 8.495 0.010 1 494 352 59 SER HA H 4.592 0.001 1 495 352 59 SER HB3 H 3.908 0.000 1 496 352 59 SER HG H 5.372 0.000 1 497 352 59 SER C C 174.132 0.001 1 498 352 59 SER CA C 58.240 0.001 1 499 352 59 SER CB C 66.412 0.012 1 500 352 59 SER N N 113.751 0.064 1 501 353 60 ARG H H 7.094 0.007 1 502 353 60 ARG HA H 4.658 0.000 1 503 353 60 ARG HB2 H 1.731 0.000 1 504 353 60 ARG HG2 H 1.551 0.000 1 505 353 60 ARG HG3 H 1.419 0.000 1 506 353 60 ARG HD2 H 2.861 0.018 1 507 353 60 ARG HD3 H 2.941 0.020 1 508 353 60 ARG HE H 9.267 0.004 1 509 353 60 ARG C C 176.195 0.001 1 510 353 60 ARG CA C 53.554 0.000 1 511 353 60 ARG CB C 31.307 0.000 1 512 353 60 ARG CG C 27.302 0.000 1 513 353 60 ARG CD C 43.339 0.008 1 514 353 60 ARG N N 121.032 0.056 1 515 354 61 THR H H 8.511 0.009 1 516 354 61 THR HA H 4.643 0.009 1 517 354 61 THR HB H 4.508 0.000 1 518 354 61 THR HG2 H 1.110 0.006 1 519 354 61 THR C C 174.520 0.001 1 520 354 61 THR CA C 61.181 0.002 1 521 354 61 THR CB C 69.074 0.006 1 522 354 61 THR CG2 C 20.846 0.004 1 523 354 61 THR N N 110.752 0.045 1 524 355 62 ASP H H 9.227 0.012 1 525 355 62 ASP HA H 4.600 0.000 1 526 355 62 ASP HB2 H 2.620 0.004 1 527 355 62 ASP HB3 H 2.854 0.003 1 528 355 62 ASP C C 174.416 0.002 1 529 355 62 ASP CA C 53.231 0.000 1 530 355 62 ASP CB C 40.624 0.013 1 531 355 62 ASP N N 118.303 0.071 1 532 356 63 LEU H H 7.362 0.010 1 533 356 63 LEU HA H 4.807 0.075 1 534 356 63 LEU HB2 H 1.857 0.009 1 535 356 63 LEU HB3 H 1.768 0.002 1 536 356 63 LEU HG H 1.456 0.000 1 537 356 63 LEU HD1 H 0.992 0.000 1 538 356 63 LEU HD2 H 0.653 0.001 1 539 356 63 LEU C C 176.492 0.000 1 540 356 63 LEU CA C 53.087 0.000 1 541 356 63 LEU CB C 40.941 0.042 1 542 356 63 LEU N N 121.326 0.106 1 543 357 64 HIS H H 9.206 0.005 1 544 357 64 HIS HA H 4.753 0.021 1 545 357 64 HIS HB2 H 3.114 0.112 1 546 357 64 HIS HB3 H 3.360 0.127 1 547 357 64 HIS HD2 H 6.687 0.006 1 548 357 64 HIS CA C 61.682 0.001 1 549 357 64 HIS CB C 30.880 0.263 1 550 357 64 HIS N N 131.203 0.000 1 551 358 65 SER HA H 4.206 0.096 1 552 358 65 SER HB2 H 4.044 0.029 1 553 358 65 SER HB3 H 4.014 0.000 1 554 358 65 SER C C 178.328 0.007 1 555 358 65 SER CA C 63.621 0.031 1 556 358 65 SER CB C 63.636 0.000 1 557 359 66 THR H H 8.430 0.008 1 558 359 66 THR HA H 3.923 0.020 1 559 359 66 THR HB H 4.238 0.002 1 560 359 66 THR HG2 H 1.707 0.000 1 561 359 66 THR C C 176.174 0.000 1 562 359 66 THR CA C 61.739 0.005 1 563 359 66 THR CB C 69.204 0.001 1 564 359 66 THR CG2 C 22.478 0.000 1 565 359 66 THR N N 114.507 0.046 1 566 360 67 TRP H H 7.916 0.000 1 567 360 67 TRP HA H 4.194 0.000 1 568 360 67 TRP HB2 H 3.120 0.000 1 569 360 67 TRP HB3 H 3.085 0.000 1 570 361 68 GLN H H 8.744 0.009 1 571 361 68 GLN HA H 3.977 0.000 1 572 361 68 GLN HB3 H 2.006 0.000 1 573 361 68 GLN HG3 H 2.261 0.000 1 574 361 68 GLN HE21 H 6.820 0.000 1 575 361 68 GLN HE22 H 7.432 0.000 1 576 361 68 GLN C C 176.337 0.000 1 577 361 68 GLN CA C 59.255 0.000 1 578 361 68 GLN CB C 27.620 0.000 1 579 361 68 GLN CG C 32.699 0.000 1 580 361 68 GLN N N 116.276 0.100 1 581 362 69 TYR H H 8.104 0.006 1 582 362 69 TYR HA H 3.821 0.004 1 583 362 69 TYR HB3 H 3.002 0.000 1 584 362 69 TYR HD1 H 7.212 0.000 1 585 362 69 TYR HD2 H 7.212 0.000 1 586 362 69 TYR HE1 H 6.855 0.000 1 587 362 69 TYR HE2 H 6.855 0.000 1 588 362 69 TYR C C 177.463 0.003 1 589 362 69 TYR CA C 60.635 0.001 1 590 362 69 TYR CB C 39.217 0.003 1 591 362 69 TYR N N 115.632 0.079 1 592 363 70 TYR H H 7.540 0.006 1 593 363 70 TYR HA H 4.059 0.000 1 594 363 70 TYR HB3 H 2.673 0.000 1 595 363 70 TYR HD1 H 7.190 0.000 1 596 363 70 TYR HD2 H 7.190 0.000 1 597 363 70 TYR HE1 H 6.762 0.000 1 598 363 70 TYR HE2 H 6.762 0.000 1 599 363 70 TYR C C 177.352 0.006 1 600 363 70 TYR CA C 61.874 0.000 1 601 363 70 TYR CB C 40.387 0.000 1 602 363 70 TYR N N 117.461 0.060 1 603 364 71 GLU H H 8.430 0.005 1 604 364 71 GLU HA H 4.182 0.000 1 605 364 71 GLU HB3 H 2.193 0.000 1 606 364 71 GLU HG2 H 2.254 0.000 1 607 364 71 GLU C C 177.535 0.002 1 608 364 71 GLU CA C 57.619 0.000 1 609 364 71 GLU CB C 29.381 0.000 1 610 364 71 GLU CG C 36.097 0.000 1 611 364 71 GLU N N 117.865 0.103 1 612 365 72 ARG H H 7.541 0.011 1 613 365 72 ARG HA H 4.207 0.000 1 614 365 72 ARG HB3 H 1.870 0.000 1 615 365 72 ARG HG3 H 1.724 0.000 1 616 365 72 ARG HD3 H 3.189 0.019 1 617 365 72 ARG C C 177.072 0.002 1 618 365 72 ARG CA C 57.766 0.000 1 619 365 72 ARG CB C 30.632 0.000 1 620 365 72 ARG CG C 26.838 0.001 1 621 365 72 ARG CD C 43.120 0.004 1 622 365 72 ARG N N 117.342 0.016 1 623 366 73 THR H H 7.700 0.006 1 624 366 73 THR HA H 4.335 0.002 1 625 366 73 THR HB H 4.219 0.000 1 626 366 73 THR HG2 H 1.034 0.000 1 627 366 73 THR C C 174.444 0.002 1 628 366 73 THR CA C 61.601 0.001 1 629 366 73 THR CB C 69.635 0.000 1 630 366 73 THR CG2 C 21.465 0.000 1 631 366 73 THR N N 110.276 0.089 1 632 367 74 VAL H H 7.508 0.012 1 633 367 74 VAL HA H 4.236 0.008 1 634 367 74 VAL HB H 2.181 0.000 1 635 367 74 VAL HG2 H 1.023 0.000 1 636 367 74 VAL C C 176.303 0.002 1 637 367 74 VAL CA C 62.021 0.002 1 638 367 74 VAL CB C 32.728 0.000 1 639 367 74 VAL CG2 C 21.568 0.001 1 640 367 74 VAL N N 120.918 0.054 1 641 368 75 THR H H 8.088 0.004 1 642 368 75 THR HA H 4.455 0.000 1 643 368 75 THR HB H 4.333 0.003 1 644 368 75 THR HG2 H 1.231 0.000 1 645 368 75 THR C C 174.158 0.000 1 646 368 75 THR CA C 61.372 0.002 1 647 368 75 THR CB C 70.072 0.000 1 648 368 75 THR CG2 C 21.630 0.000 1 649 368 75 THR N N 116.251 0.017 1 650 369 76 VAL H H 8.088 0.014 1 651 369 76 VAL HA H 4.344 0.000 1 652 369 76 VAL HB H 2.168 0.000 1 653 369 76 VAL HG2 H 1.019 0.000 1 654 369 76 VAL C C 174.205 0.000 1 655 369 76 VAL CA C 61.713 0.000 1 656 369 76 VAL CB C 32.970 0.000 1 657 369 76 VAL CG2 C 21.736 0.000 1 658 369 76 VAL N N 116.232 0.064 1 659 370 77 PRO HA H 4.314 0.010 1 660 370 77 PRO HB2 H 2.257 0.000 1 661 370 77 PRO HB3 H 2.256 0.000 1 662 370 77 PRO HG2 H 1.810 0.000 1 663 370 77 PRO HG3 H 1.834 0.000 1 664 370 77 PRO HD2 H 3.522 0.049 1 665 370 77 PRO HD3 H 3.563 0.000 1 666 370 77 PRO C C 177.004 0.001 1 667 370 77 PRO CA C 63.691 0.000 1 668 370 77 PRO CB C 32.515 0.000 1 669 370 77 PRO CG C 27.545 0.000 1 670 370 77 PRO CD C 49.428 0.002 1 671 371 78 MET H H 7.995 0.013 1 672 371 78 MET HA H 4.312 0.000 1 673 371 78 MET HB2 H 2.323 0.000 1 674 371 78 MET HG3 H 1.896 0.000 1 675 371 78 MET HE H 0.933 0.019 1 676 371 78 MET C C 175.518 0.002 1 677 371 78 MET CA C 56.009 0.000 1 678 371 78 MET CB C 32.700 0.000 1 679 371 78 MET CG C 32.401 0.000 1 680 371 78 MET CE C 18.693 0.001 1 681 371 78 MET N N 118.136 0.068 1 682 372 79 TYR H H 7.807 0.006 1 683 372 79 TYR HA H 4.639 0.000 1 684 372 79 TYR HB3 H 2.902 0.000 1 685 372 79 TYR HD1 H 7.017 0.000 1 686 372 79 TYR HD2 H 7.017 0.000 1 687 372 79 TYR HE1 H 6.694 0.000 1 688 372 79 TYR HE2 H 6.694 0.000 1 689 372 79 TYR C C 175.485 0.002 1 690 372 79 TYR CA C 57.227 0.000 1 691 372 79 TYR CB C 39.490 0.002 1 692 372 79 TYR N N 119.669 0.050 1 693 373 80 ARG H H 8.192 0.006 1 694 373 80 ARG HA H 4.298 0.000 1 695 373 80 ARG HB3 H 1.784 0.000 1 696 373 80 ARG HG3 H 1.595 0.000 1 697 373 80 ARG HD2 H 3.073 0.000 1 698 373 80 ARG C C 175.919 0.000 1 699 373 80 ARG CA C 56.046 0.000 1 700 373 80 ARG CB C 30.817 0.000 1 701 373 80 ARG CG C 26.770 0.000 1 702 373 80 ARG CD C 43.167 0.001 1 703 373 80 ARG N N 122.456 0.018 1 704 392 81 GLY H H 7.962 0.001 1 705 392 81 GLY HA2 H 3.887 0.000 1 706 392 81 GLY HA3 H 3.962 0.000 1 707 392 81 GLY C C 173.856 0.002 1 708 392 81 GLY CA C 44.908 0.000 1 709 392 81 GLY N N 109.803 0.027 1 710 393 82 LEU H H 8.046 0.006 1 711 393 82 LEU HA H 4.250 0.000 1 712 393 82 LEU HB2 H 1.567 0.000 1 713 393 82 LEU HB3 H 1.626 0.000 1 714 393 82 LEU HG H 1.444 0.000 1 715 393 82 LEU HD1 H 0.851 0.000 1 716 393 82 LEU HD2 H 0.817 0.000 1 717 393 82 LEU C C 177.305 0.000 1 718 393 82 LEU CA C 55.333 0.000 1 719 393 82 LEU CB C 42.189 0.000 1 720 393 82 LEU CG C 26.352 0.002 1 721 393 82 LEU CD1 C 25.116 0.000 1 722 393 82 LEU CD2 C 23.467 0.000 1 723 393 82 LEU N N 122.000 0.055 1 724 502 83 GLU H H 8.437 0.001 1 725 502 83 GLU HA H 4.199 0.009 1 726 502 83 GLU HB2 H 2.007 0.000 1 727 502 83 GLU HB3 H 1.920 0.000 1 728 502 83 GLU HG3 H 2.174 0.000 1 729 502 83 GLU C C 175.757 0.002 1 730 502 83 GLU CA C 56.769 0.000 1 731 502 83 GLU CB C 29.887 0.091 1 732 502 83 GLU CG C 36.129 0.000 1 733 502 83 GLU N N 119.848 0.029 1 734 503 84 ASP H H 7.884 0.007 1 735 503 84 ASP HA H 4.632 0.000 1 736 503 84 ASP HB2 H 2.614 0.011 1 737 503 84 ASP HB3 H 2.544 0.000 1 738 503 84 ASP C C 175.520 0.002 1 739 503 84 ASP CA C 53.552 0.000 1 740 503 84 ASP CB C 41.821 0.002 1 741 503 84 ASP N N 119.492 0.041 1 742 504 85 LEU H H 7.902 0.006 1 743 504 85 LEU HA H 4.135 0.008 1 744 504 85 LEU HB3 H 2.022 0.000 1 745 504 85 LEU HG H 1.341 0.032 1 746 504 85 LEU HD2 H 0.752 0.002 1 747 504 85 LEU C C 176.340 0.001 1 748 504 85 LEU CA C 54.555 0.001 1 749 504 85 LEU CB C 41.592 0.005 1 750 504 85 LEU CG C 26.661 0.001 1 751 504 85 LEU CD1 C 24.512 0.000 1 752 504 85 LEU CD2 C 23.489 0.000 1 753 504 85 LEU N N 121.340 0.122 1 754 505 86 THR H H 7.376 0.010 1 755 505 86 THR HA H 4.365 0.026 1 756 505 86 THR HB H 3.973 0.182 1 757 505 86 THR HG2 H 1.239 0.000 1 758 505 86 THR C C 172.545 0.000 1 759 505 86 THR CA C 60.073 0.000 1 760 505 86 THR CB C 69.184 0.000 1 761 505 86 THR CG2 C 21.927 0.000 1 762 505 86 THR N N 115.636 0.033 1 763 506 87 PRO HA H 4.239 0.004 1 764 506 87 PRO HB2 H 2.306 0.000 1 765 506 87 PRO HB3 H 2.260 0.000 1 766 506 87 PRO HG2 H 1.873 0.000 1 767 506 87 PRO HG3 H 1.912 0.000 1 768 506 87 PRO HD2 H 3.713 0.050 1 769 506 87 PRO HD3 H 3.736 0.000 1 770 506 87 PRO C C 177.823 0.000 1 771 506 87 PRO CA C 64.908 0.000 1 772 506 87 PRO CB C 32.100 0.000 1 773 506 87 PRO CG C 28.724 0.000 1 774 506 87 PRO CD C 51.661 0.002 1 775 507 88 GLY H H 8.475 0.007 1 776 507 88 GLY HA2 H 3.793 0.000 1 777 507 88 GLY HA3 H 3.785 0.000 1 778 507 88 GLY C C 175.873 0.002 1 779 507 88 GLY CA C 46.044 0.000 1 780 507 88 GLY N N 106.268 0.054 1 781 508 89 LEU H H 7.576 0.005 1 782 508 89 LEU HA H 4.031 0.000 1 783 508 89 LEU HB3 H 1.561 0.000 1 784 508 89 LEU HG H 1.593 0.000 1 785 508 89 LEU HD1 H 0.725 0.001 1 786 508 89 LEU HD2 H 0.799 0.000 1 787 508 89 LEU C C 178.380 0.002 1 788 508 89 LEU CA C 57.367 0.000 1 789 508 89 LEU CB C 42.197 0.000 1 790 508 89 LEU CG C 26.091 0.000 1 791 508 89 LEU CD1 C 24.583 0.000 1 792 508 89 LEU CD2 C 23.702 0.000 1 793 508 89 LEU N N 124.375 0.039 1 794 509 90 LYS H H 8.293 0.010 1 795 509 90 LYS HA H 3.978 0.000 1 796 509 90 LYS HB3 H 1.622 0.000 1 797 509 90 LYS HG3 H 0.962 0.016 1 798 509 90 LYS HD3 H 1.516 0.017 1 799 509 90 LYS C C 178.506 0.002 1 800 509 90 LYS CA C 60.198 0.000 1 801 509 90 LYS CB C 32.346 0.000 1 802 509 90 LYS CG C 23.370 0.001 1 803 509 90 LYS CD C 28.877 0.000 1 804 509 90 LYS N N 119.743 0.078 1 805 510 91 VAL H H 8.312 0.010 1 806 510 91 VAL HA H 3.766 0.000 1 807 510 91 VAL HB H 2.000 0.000 1 808 510 91 VAL HG2 H 1.174 0.000 1 809 510 91 VAL C C 177.388 0.002 1 810 510 91 VAL CA C 66.187 0.001 1 811 510 91 VAL CB C 32.124 0.000 1 812 510 91 VAL CG2 C 22.001 0.000 1 813 510 91 VAL N N 117.714 0.046 1 814 511 92 SER H H 8.203 0.007 1 815 511 92 SER HA H 4.027 0.000 1 816 511 92 SER HB3 H 3.636 0.000 1 817 511 92 SER C C 177.388 0.000 1 818 511 92 SER CA C 61.967 0.000 1 819 511 92 SER CB C 64.968 0.008 1 820 511 92 SER N N 117.066 0.055 1 821 512 93 ILE H H 8.068 0.000 1 822 512 93 ILE HA H 4.106 0.033 1 823 512 93 ILE HB H 1.957 0.018 1 824 512 93 ILE HG12 H 1.450 0.000 1 825 512 93 ILE HG13 H 1.404 0.000 1 826 512 93 ILE HG2 H 1.214 0.015 1 827 512 93 ILE HD1 H 0.782 0.019 1 828 512 93 ILE C C 177.740 0.002 1 829 512 93 ILE CA C 66.018 0.005 1 830 512 93 ILE CB C 39.612 0.003 1 831 512 93 ILE CG1 C 27.692 0.001 1 832 512 93 ILE CG2 C 17.662 0.001 1 833 512 93 ILE CD1 C 13.648 0.004 1 834 513 94 ARG H H 8.268 0.012 1 835 513 94 ARG HA H 3.836 0.000 1 836 513 94 ARG HB3 H 1.623 0.000 1 837 513 94 ARG HG3 H 1.486 0.000 1 838 513 94 ARG HD2 H 3.136 0.000 1 839 513 94 ARG HD3 H 3.095 0.000 1 840 513 94 ARG C C 176.794 0.002 1 841 513 94 ARG CA C 58.641 0.000 1 842 513 94 ARG CB C 29.725 0.000 1 843 513 94 ARG CG C 26.535 0.000 1 844 513 94 ARG CD C 41.942 0.000 1 845 513 94 ARG N N 120.958 0.064 1 846 514 95 ALA H H 8.470 0.007 1 847 514 95 ALA HA H 3.852 0.001 1 848 514 95 ALA HB H 1.526 0.030 1 849 514 95 ALA C C 178.792 0.002 1 850 514 95 ALA CA C 55.020 0.001 1 851 514 95 ALA CB C 18.944 0.000 1 852 514 95 ALA N N 120.958 0.068 1 853 515 96 VAL H H 7.664 0.011 1 854 515 96 VAL HA H 3.483 0.013 1 855 515 96 VAL HB H 2.262 0.009 1 856 515 96 VAL HG1 H 1.090 0.005 1 857 515 96 VAL HG2 H 0.941 0.001 1 858 515 96 VAL C C 177.172 0.003 1 859 515 96 VAL CA C 67.149 0.001 1 860 515 96 VAL CB C 31.576 0.000 1 861 515 96 VAL CG1 C 22.038 0.001 1 862 515 96 VAL N N 117.797 0.054 1 863 516 97 CYS H H 9.892 0.017 1 864 516 97 CYS HA H 3.502 0.011 1 865 516 97 CYS HB3 H 3.089 0.016 1 866 516 97 CYS HG H 2.072 0.000 1 867 516 97 CYS C C 174.619 0.019 1 868 516 97 CYS CA C 63.244 0.002 1 869 516 97 CYS CB C 35.837 0.004 1 870 516 97 CYS N N 119.097 0.137 1 871 517 98 VAL H H 8.723 0.009 1 872 517 98 VAL HA H 3.860 0.001 1 873 517 98 VAL HB H 2.193 0.000 1 874 517 98 VAL HG2 H 1.269 0.001 1 875 517 98 VAL C C 176.589 0.003 1 876 517 98 VAL CA C 66.203 0.003 1 877 517 98 VAL CB C 29.988 0.002 1 878 517 98 VAL CG2 C 22.928 0.003 1 879 517 98 VAL N N 125.403 0.068 1 880 518 99 MET H H 7.148 0.005 1 881 518 99 MET HA H 4.342 0.000 1 882 518 99 MET HB3 H 1.874 0.000 1 883 518 99 MET HG3 H 2.254 0.000 1 884 518 99 MET HE H 1.445 0.004 1 885 518 99 MET C C 178.273 0.002 1 886 518 99 MET CA C 59.549 0.000 1 887 518 99 MET CB C 30.235 0.000 1 888 518 99 MET CG C 32.762 0.000 1 889 518 99 MET CE C 19.003 0.000 1 890 518 99 MET N N 122.153 0.040 1 891 519 100 ARG H H 7.954 0.007 1 892 519 100 ARG HA H 4.190 0.000 1 893 519 100 ARG HB3 H 2.155 0.000 1 894 519 100 ARG HG3 H 1.768 0.014 1 895 519 100 ARG HD3 H 3.215 0.041 1 896 519 100 ARG C C 177.535 0.001 1 897 519 100 ARG CA C 58.492 0.000 1 898 519 100 ARG CB C 28.859 0.000 1 899 519 100 ARG CG C 25.240 0.001 1 900 519 100 ARG CD C 41.004 0.000 1 901 519 100 ARG N N 115.295 0.066 1 902 520 101 PHE H H 7.593 0.008 1 903 520 101 PHE HA H 4.247 0.000 1 904 520 101 PHE HB3 H 3.164 0.013 1 905 520 101 PHE HD1 H 6.970 0.000 1 906 520 101 PHE HD2 H 6.970 0.000 1 907 520 101 PHE HE1 H 7.039 0.006 1 908 520 101 PHE HE2 H 7.039 0.006 1 909 520 101 PHE C C 175.722 1.405 1 910 520 101 PHE CA C 60.340 0.000 1 911 520 101 PHE CB C 39.305 0.001 1 912 520 101 PHE N N 121.091 0.043 1 913 521 102 LEU H H 7.603 0.009 1 914 521 102 LEU HA H 3.896 0.000 1 915 521 102 LEU HB3 H 1.678 0.000 1 916 521 102 LEU HG H 1.611 0.000 1 917 521 102 LEU HD2 H 0.854 0.000 1 918 521 102 LEU C C 176.926 0.000 1 919 521 102 LEU CA C 58.763 0.000 1 920 521 102 LEU CB C 42.878 0.000 1 921 521 102 LEU N N 119.525 0.120 1 922 522 103 VAL HA H 4.031 0.000 1 923 522 103 VAL HB H 2.026 0.000 1 924 522 103 VAL HG1 H 0.826 0.000 1 925 522 103 VAL HG2 H 0.732 0.000 1 926 523 104 SER HA H 4.060 0.000 1 927 523 104 SER HB2 H 3.709 0.000 1 928 523 104 SER HB3 H 3.724 0.000 1 929 523 104 SER C C 177.374 0.002 1 930 523 104 SER CA C 61.925 0.000 1 931 523 104 SER CB C 64.115 0.000 1 932 524 105 LYS H H 8.126 0.007 1 933 524 105 LYS HA H 3.807 0.000 1 934 524 105 LYS HB3 H 1.984 0.000 1 935 524 105 LYS HG2 H 1.141 0.000 1 936 524 105 LYS HG3 H 1.046 0.010 1 937 524 105 LYS HD3 H 1.575 0.000 1 938 524 105 LYS HE2 H 2.771 0.014 1 939 524 105 LYS HE3 H 2.796 0.011 1 940 524 105 LYS C C 177.085 0.000 1 941 524 105 LYS CA C 59.564 0.000 1 942 524 105 LYS CB C 32.304 0.000 1 943 524 105 LYS CG C 24.175 0.042 1 944 524 105 LYS CD C 30.957 0.000 1 945 524 105 LYS CE C 41.790 0.000 1 946 524 105 LYS N N 124.733 0.046 1 947 525 106 ARG H H 7.220 0.005 1 948 525 106 ARG HA H 3.967 0.000 1 949 525 106 ARG HB3 H 1.936 0.000 1 950 525 106 ARG HG3 H 1.564 0.000 1 951 525 106 ARG HD3 H 3.092 0.000 1 952 525 106 ARG C C 178.703 0.002 1 953 525 106 ARG CA C 59.071 0.000 1 954 525 106 ARG CB C 28.768 0.002 1 955 525 106 ARG CG C 26.238 0.000 1 956 525 106 ARG CD C 42.207 0.000 1 957 525 106 ARG N N 122.204 0.038 1 958 526 107 LYS H H 8.515 0.006 1 959 526 107 LYS HA H 4.006 0.000 1 960 526 107 LYS HB3 H 1.901 0.000 1 961 526 107 LYS HG3 H 1.491 0.015 1 962 526 107 LYS HD3 H 1.614 0.000 1 963 526 107 LYS HE2 H 2.972 0.000 1 964 526 107 LYS C C 180.034 0.002 1 965 526 107 LYS CA C 58.017 0.000 1 966 526 107 LYS CB C 31.889 0.000 1 967 526 107 LYS CG C 24.547 0.001 1 968 526 107 LYS CD C 28.456 0.000 1 969 526 107 LYS CE C 42.059 0.000 1 970 526 107 LYS N N 116.990 0.062 1 971 527 108 PHE H H 8.179 0.006 1 972 527 108 PHE HA H 4.350 0.001 1 973 527 108 PHE HB2 H 3.029 0.000 1 974 527 108 PHE HB3 H 2.970 0.000 1 975 527 108 PHE HD1 H 6.867 0.000 1 976 527 108 PHE HD2 H 6.867 0.000 1 977 527 108 PHE HE1 H 6.856 0.003 1 978 527 108 PHE HE2 H 6.856 0.003 1 979 527 108 PHE HZ H 6.872 0.000 1 980 527 108 PHE C C 176.985 0.003 1 981 527 108 PHE CA C 60.434 0.002 1 982 527 108 PHE CB C 40.136 0.000 1 983 527 108 PHE N N 120.214 0.076 1 984 528 109 LYS H H 7.992 0.006 1 985 528 109 LYS HA H 4.003 0.000 1 986 528 109 LYS HB3 H 1.856 0.000 1 987 528 109 LYS HG3 H 1.463 0.000 1 988 528 109 LYS HD3 H 1.651 0.000 1 989 528 109 LYS HE2 H 3.176 0.000 1 990 528 109 LYS C C 179.413 0.002 1 991 528 109 LYS CA C 59.957 0.000 1 992 528 109 LYS CB C 31.624 0.000 1 993 528 109 LYS CG C 24.912 0.000 1 994 528 109 LYS CD C 28.560 0.000 1 995 528 109 LYS CE C 43.072 0.000 1 996 528 109 LYS N N 121.986 0.040 1 997 529 110 GLU H H 8.018 0.006 1 998 529 110 GLU HA H 3.949 0.000 1 999 529 110 GLU HB3 H 1.950 0.000 1 1000 529 110 GLU HG3 H 2.240 0.000 1 1001 529 110 GLU C C 178.474 0.002 1 1002 529 110 GLU CA C 58.266 0.000 1 1003 529 110 GLU CB C 29.373 0.000 1 1004 529 110 GLU CG C 36.444 0.000 1 1005 529 110 GLU N N 117.864 0.044 1 1006 530 111 SER H H 7.486 0.008 1 1007 530 111 SER HA H 4.227 0.000 1 1008 530 111 SER HB3 H 3.884 0.002 1 1009 530 111 SER HG H 4.661 0.000 1 1010 530 111 SER C C 174.685 0.002 1 1011 530 111 SER CA C 60.524 0.000 1 1012 530 111 SER CB C 63.786 0.004 1 1013 530 111 SER N N 116.702 0.049 1 1014 531 112 LEU H H 6.964 0.010 1 1015 531 112 LEU HA H 3.922 0.000 1 1016 531 112 LEU HB2 H 1.513 0.000 1 1017 531 112 LEU HB3 H 1.426 0.006 1 1018 531 112 LEU HG H 1.163 0.026 1 1019 531 112 LEU HD1 H 0.565 0.002 1 1020 531 112 LEU HD2 H 0.494 0.010 1 1021 531 112 LEU C C 177.084 0.002 1 1022 531 112 LEU CA C 55.247 0.000 1 1023 531 112 LEU CB C 42.943 0.270 1 1024 531 112 LEU CG C 25.714 0.000 1 1025 531 112 LEU CD1 C 24.399 0.002 1 1026 531 112 LEU CD2 C 22.425 0.001 1 1027 531 112 LEU N N 121.001 0.063 1 1028 532 113 ARG H H 7.136 0.008 1 1029 532 113 ARG HA H 4.218 0.000 1 1030 532 113 ARG HB2 H 1.852 0.000 1 1031 532 113 ARG HB3 H 1.713 0.000 1 1032 532 113 ARG HG2 H 1.630 0.000 1 1033 532 113 ARG HG3 H 1.548 0.000 1 1034 532 113 ARG HD3 H 3.107 0.001 1 1035 532 113 ARG C C 175.718 0.000 1 1036 532 113 ARG CA C 55.954 0.000 1 1037 532 113 ARG CB C 30.978 0.000 1 1038 532 113 ARG CG C 26.953 0.000 1 1039 532 113 ARG CD C 42.978 0.002 1 1040 532 113 ARG N N 117.803 0.077 1 1041 548 114 LEU H H 7.692 0.001 1 1042 548 114 LEU HA H 4.238 0.000 1 1043 548 114 LEU HB2 H 1.661 0.001 1 1044 548 114 LEU HB3 H 1.555 0.013 1 1045 548 114 LEU HG H 1.465 0.000 1 1046 548 114 LEU HD1 H 0.827 0.000 1 1047 548 114 LEU HD2 H 0.646 0.043 1 1048 548 114 LEU C C 175.816 0.001 1 1049 548 114 LEU CA C 54.550 0.000 1 1050 548 114 LEU CB C 42.933 0.003 1 1051 548 114 LEU CG C 26.484 0.000 1 1052 548 114 LEU CD1 C 25.204 0.000 1 1053 548 114 LEU CD2 C 22.995 0.000 1 1054 548 114 LEU N N 122.363 0.017 1 1055 549 115 ASP H H 7.777 0.006 1 1056 549 115 ASP HA H 4.328 0.001 1 1057 549 115 ASP HB2 H 2.622 0.000 1 1058 549 115 ASP HB3 H 2.544 0.000 1 1059 549 115 ASP C C 180.209 0.000 1 1060 549 115 ASP CA C 55.109 0.001 1 1061 549 115 ASP CB C 40.950 0.052 1 1062 549 115 ASP N N 126.408 0.063 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N TROSY-HSQC' '2D 1H-13C TROSY-HSQC' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HN(CA)HA' '3D HN(COCA)HA' '3D HN(CA)CO' '3D H(CCO)NH' '3D HNC(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-15N semiTROSY-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 2 ALA HB H 1.464 0.000 1 2 2 3 ASP HA H 4.682 0.000 1 3 2 3 ASP HB2 H 2.675 0.000 1 4 2 3 ASP HB3 H 2.540 0.000 1 5 2 3 ASP C C 175.410 0.002 1 6 2 3 ASP CA C 54.157 0.000 1 7 2 3 ASP CB C 41.941 0.043 1 8 3 4 GLN H H 8.310 0.007 1 9 3 4 GLN HA H 4.370 0.002 1 10 3 4 GLN HB2 H 2.078 0.000 1 11 3 4 GLN HB3 H 1.979 0.000 1 12 3 4 GLN HG2 H 2.338 0.001 1 13 3 4 GLN HG3 H 2.346 0.000 1 14 3 4 GLN C C 175.427 0.002 1 15 3 4 GLN CA C 55.029 0.000 1 16 3 4 GLN CB C 30.323 0.000 1 17 3 4 GLN CG C 33.241 0.000 1 18 3 4 GLN N N 120.948 0.063 1 19 4 5 LEU H H 8.186 0.008 1 20 4 5 LEU HA H 4.684 0.000 1 21 4 5 LEU HB2 H 1.707 0.000 1 22 4 5 LEU HB3 H 1.695 0.000 1 23 4 5 LEU HG H 1.399 0.000 1 24 4 5 LEU HD1 H 0.895 0.000 1 25 4 5 LEU HD2 H 0.887 0.000 1 26 4 5 LEU C C 177.428 0.002 1 27 4 5 LEU CA C 53.925 0.000 1 28 4 5 LEU CB C 43.431 0.000 1 29 4 5 LEU CG C 28.640 0.000 1 30 4 5 LEU CD1 C 26.810 0.000 1 31 4 5 LEU CD2 C 24.070 0.000 1 32 4 5 LEU N N 124.194 0.041 1 33 5 6 THR H H 8.544 0.006 1 34 5 6 THR HA H 4.496 0.013 1 35 5 6 THR HB H 4.677 0.048 1 36 5 6 THR HG2 H 1.315 0.013 1 37 5 6 THR C C 175.131 0.002 1 38 5 6 THR CA C 60.066 0.000 1 39 5 6 THR CB C 71.396 0.001 1 40 5 6 THR N N 113.646 0.049 1 41 6 7 GLU H H 8.873 0.010 1 42 6 7 GLU HA H 3.979 0.000 1 43 6 7 GLU HB2 H 1.991 0.000 1 44 6 7 GLU HB3 H 2.001 0.000 1 45 6 7 GLU HG2 H 2.336 0.000 1 46 6 7 GLU HG3 H 2.321 0.000 1 47 6 7 GLU C C 179.119 0.002 1 48 6 7 GLU CA C 59.289 0.000 1 49 6 7 GLU CB C 29.393 0.000 1 50 6 7 GLU CG C 36.040 0.000 1 51 6 7 GLU N N 120.859 0.058 1 52 7 8 GLU H H 8.549 0.006 1 53 7 8 GLU HA H 4.035 0.000 1 54 7 8 GLU HB3 H 1.947 0.001 1 55 7 8 GLU HG3 H 2.252 0.001 1 56 7 8 GLU C C 178.688 0.002 1 57 7 8 GLU CA C 59.382 0.000 1 58 7 8 GLU CB C 28.948 0.000 1 59 7 8 GLU CG C 34.030 0.000 1 60 7 8 GLU N N 120.018 0.043 1 61 8 9 GLN H H 7.558 0.006 1 62 8 9 GLN HA H 3.872 0.002 1 63 8 9 GLN HB2 H 1.859 0.000 1 64 8 9 GLN HB3 H 1.849 0.000 1 65 8 9 GLN HG3 H 2.194 0.000 1 66 8 9 GLN C C 177.790 0.002 1 67 8 9 GLN CA C 58.260 0.001 1 68 8 9 GLN CB C 29.636 0.000 1 69 8 9 GLN CG C 33.180 0.000 1 70 8 9 GLN N N 120.602 0.141 1 71 9 10 ILE H H 8.090 0.007 1 72 9 10 ILE HA H 3.621 0.005 1 73 9 10 ILE HB H 1.921 0.007 1 74 9 10 ILE HG12 H 0.826 0.000 1 75 9 10 ILE HG13 H 0.819 0.000 1 76 9 10 ILE HG2 H 1.092 0.006 1 77 9 10 ILE HD1 H 0.894 0.036 1 78 9 10 ILE C C 177.527 0.002 1 79 9 10 ILE CA C 65.705 0.001 1 80 9 10 ILE CB C 37.747 0.001 1 81 9 10 ILE CG1 C 29.750 0.000 1 82 9 10 ILE CG2 C 16.865 0.015 1 83 9 10 ILE CD1 C 14.453 0.014 1 84 9 10 ILE N N 119.485 0.048 1 85 10 11 ALA H H 7.870 0.008 1 86 10 11 ALA HA H 4.158 0.000 1 87 10 11 ALA HB H 1.501 0.008 1 88 10 11 ALA C C 180.756 0.002 1 89 10 11 ALA CA C 54.914 0.000 1 90 10 11 ALA CB C 17.387 0.004 1 91 10 11 ALA N N 121.587 0.032 1 92 11 12 GLU H H 7.690 0.010 1 93 11 12 GLU HA H 4.192 0.000 1 94 11 12 GLU HB2 H 1.948 0.000 1 95 11 12 GLU HB3 H 2.068 0.000 1 96 11 12 GLU HG2 H 2.205 0.000 1 97 11 12 GLU HG3 H 2.423 0.001 1 98 11 12 GLU C C 179.766 0.002 1 99 11 12 GLU CA C 58.713 0.000 1 100 11 12 GLU CB C 29.296 0.000 1 101 11 12 GLU CG C 34.382 0.003 1 102 11 12 GLU N N 120.020 0.062 1 103 12 13 PHE H H 8.523 0.005 1 104 12 13 PHE HA H 5.036 0.023 1 105 12 13 PHE HB2 H 3.455 0.026 1 106 12 13 PHE HB3 H 3.638 0.032 1 107 12 13 PHE HD1 H 7.134 0.011 1 108 12 13 PHE HD2 H 7.134 0.011 1 109 12 13 PHE HE1 H 7.238 0.000 1 110 12 13 PHE HE2 H 7.238 0.000 1 111 12 13 PHE C C 178.419 0.002 1 112 12 13 PHE CA C 58.075 0.000 1 113 12 13 PHE CB C 36.513 0.011 1 114 12 13 PHE N N 120.176 0.053 1 115 13 14 LYS H H 9.139 0.008 1 116 13 14 LYS HA H 3.976 0.000 1 117 13 14 LYS HB2 H 1.879 0.000 1 118 13 14 LYS HB3 H 1.895 0.000 1 119 13 14 LYS HG2 H 1.178 0.000 1 120 13 14 LYS HG3 H 1.108 0.000 1 121 13 14 LYS HD3 H 1.458 0.000 1 122 13 14 LYS HE3 H 2.662 0.000 1 123 13 14 LYS C C 178.619 0.002 1 124 13 14 LYS CA C 59.397 0.000 1 125 13 14 LYS CB C 32.340 0.000 1 126 13 14 LYS CG C 24.120 0.000 1 127 13 14 LYS CD C 27.000 0.000 1 128 13 14 LYS CE C 41.550 0.000 1 129 13 14 LYS N N 123.569 0.048 1 130 14 15 GLU H H 7.841 0.005 1 131 14 15 GLU HA H 4.127 0.000 1 132 14 15 GLU HB3 H 2.172 0.001 1 133 14 15 GLU HG2 H 2.300 0.000 1 134 14 15 GLU HG3 H 2.337 0.000 1 135 14 15 GLU C C 179.248 0.002 1 136 14 15 GLU CA C 58.932 0.000 1 137 14 15 GLU CB C 29.513 0.000 1 138 14 15 GLU CG C 33.940 0.000 1 139 14 15 GLU N N 120.747 0.074 1 140 15 16 ALA H H 7.754 0.012 1 141 15 16 ALA HA H 4.167 0.000 1 142 15 16 ALA HB H 1.783 0.091 1 143 15 16 ALA C C 178.325 0.002 1 144 15 16 ALA CA C 54.355 0.000 1 145 15 16 ALA CB C 19.597 0.003 1 146 15 16 ALA N N 121.654 0.048 1 147 16 17 PHE H H 8.678 0.008 1 148 16 17 PHE HA H 3.333 0.007 1 149 16 17 PHE HB2 H 2.817 0.112 1 150 16 17 PHE HB3 H 3.094 0.066 1 151 16 17 PHE HD1 H 6.606 0.000 1 152 16 17 PHE HD2 H 6.606 0.000 1 153 16 17 PHE HE1 H 7.098 0.008 1 154 16 17 PHE HE2 H 7.098 0.008 1 155 16 17 PHE HZ H 7.162 0.003 1 156 16 17 PHE C C 177.302 0.002 1 157 16 17 PHE CA C 62.183 0.000 1 158 16 17 PHE CB C 38.188 0.033 1 159 16 17 PHE N N 119.760 0.053 1 160 17 18 SER H H 8.059 0.004 1 161 17 18 SER HA H 4.130 0.000 1 162 17 18 SER HB2 H 3.991 0.000 1 163 17 18 SER HB3 H 3.981 0.000 1 164 17 18 SER C C 174.170 0.002 1 165 17 18 SER CA C 61.090 0.000 1 166 17 18 SER CB C 63.919 0.000 1 167 17 18 SER N N 113.339 0.056 1 168 18 19 LEU H H 7.324 0.004 1 169 18 19 LEU HA H 4.004 0.000 1 170 18 19 LEU HB3 H 1.708 0.017 1 171 18 19 LEU HG H 1.515 0.002 1 172 18 19 LEU HD1 H 0.626 0.000 1 173 18 19 LEU HD2 H 0.713 0.000 1 174 18 19 LEU C C 178.178 0.002 1 175 18 19 LEU CA C 57.016 0.000 1 176 18 19 LEU CB C 40.663 0.002 1 177 18 19 LEU CG C 26.460 0.000 1 178 18 19 LEU CD2 C 24.190 0.000 1 179 18 19 LEU N N 122.163 0.043 1 180 19 20 PHE H H 7.101 0.008 1 181 19 20 PHE HA H 4.074 0.000 1 182 19 20 PHE HB2 H 2.687 0.000 1 183 19 20 PHE HB3 H 2.386 0.006 1 184 19 20 PHE HD1 H 7.242 0.003 1 185 19 20 PHE HD2 H 7.242 0.003 1 186 19 20 PHE HE1 H 7.296 0.000 1 187 19 20 PHE HE2 H 7.296 0.000 1 188 19 20 PHE HZ H 7.341 0.000 1 189 19 20 PHE C C 177.152 0.001 1 190 19 20 PHE CA C 59.340 0.000 1 191 19 20 PHE CB C 39.935 0.011 1 192 19 20 PHE N N 114.461 0.053 1 193 20 21 ASP H H 8.079 0.006 1 194 20 21 ASP HA H 4.249 0.136 1 195 20 21 ASP HB2 H 2.355 0.004 1 196 20 21 ASP HB3 H 2.719 0.004 1 197 20 21 ASP C C 176.747 0.002 1 198 20 21 ASP CA C 52.077 0.001 1 199 20 21 ASP CB C 39.479 0.000 1 200 20 21 ASP N N 118.065 0.040 1 201 21 22 LYS H H 7.694 0.006 1 202 21 22 LYS HA H 4.036 0.000 1 203 21 22 LYS HB2 H 1.816 0.000 1 204 21 22 LYS HB3 H 1.840 0.000 1 205 21 22 LYS HG2 H 1.489 0.000 1 206 21 22 LYS HG3 H 1.498 0.000 1 207 21 22 LYS HD2 H 1.710 0.000 1 208 21 22 LYS HD3 H 1.721 0.000 1 209 21 22 LYS HE2 H 2.990 0.000 1 210 21 22 LYS C C 177.891 0.001 1 211 21 22 LYS CA C 57.937 0.000 1 212 21 22 LYS CB C 32.126 0.015 1 213 21 22 LYS CG C 25.900 0.000 1 214 21 22 LYS CD C 27.510 0.000 1 215 21 22 LYS CE C 40.470 0.000 1 216 21 22 LYS N N 124.986 0.054 1 217 22 23 ASP H H 7.836 0.006 1 218 22 23 ASP HA H 4.597 0.001 1 219 22 23 ASP HB3 H 2.591 0.011 1 220 22 23 ASP C C 177.368 0.002 1 221 22 23 ASP CA C 52.418 0.000 1 222 22 23 ASP CB C 39.512 0.000 1 223 22 23 ASP N N 114.335 0.061 1 224 23 24 GLY H H 7.601 0.012 1 225 23 24 GLY HA2 H 3.853 0.003 1 226 23 24 GLY HA3 H 3.841 0.003 1 227 23 24 GLY C C 174.902 0.002 1 228 23 24 GLY CA C 46.646 0.000 1 229 23 24 GLY N N 109.797 0.063 1 230 24 25 ASP H H 8.348 0.010 1 231 24 25 ASP HA H 4.547 0.000 1 232 24 25 ASP HB2 H 2.451 0.027 1 233 24 25 ASP HB3 H 2.885 0.109 1 234 24 25 ASP C C 177.068 0.002 1 235 24 25 ASP CA C 53.127 0.000 1 236 24 25 ASP CB C 40.386 0.006 1 237 24 25 ASP N N 121.376 0.064 1 238 25 26 GLY H H 10.453 0.012 1 239 25 26 GLY HA2 H 3.708 0.003 1 240 25 26 GLY HA3 H 3.714 0.004 1 241 25 26 GLY C C 173.568 0.002 1 242 25 26 GLY CA C 44.883 0.000 1 243 25 26 GLY N N 113.315 0.039 1 244 26 27 THR H H 8.050 0.008 1 245 26 27 THR HA H 5.437 0.011 1 246 26 27 THR HB H 3.788 0.044 1 247 26 27 THR HG2 H 1.002 0.001 1 248 26 27 THR C C 172.868 0.002 1 249 26 27 THR CA C 59.005 0.001 1 250 26 27 THR CB C 72.274 0.004 1 251 26 27 THR CG2 C 22.670 0.000 1 252 26 27 THR N N 112.252 0.069 1 253 27 28 ILE H H 9.697 0.010 1 254 27 28 ILE HA H 3.868 0.000 1 255 27 28 ILE HB H 1.621 0.000 1 256 27 28 ILE HG12 H 1.149 0.000 1 257 27 28 ILE HG13 H 1.174 0.000 1 258 27 28 ILE HG2 H 0.701 0.049 1 259 27 28 ILE HD1 H 0.118 0.003 1 260 27 28 ILE C C 175.811 0.002 1 261 27 28 ILE CA C 60.403 0.000 1 262 27 28 ILE CB C 39.910 0.000 1 263 27 28 ILE CG1 C 25.210 0.000 1 264 27 28 ILE CG2 C 15.782 0.000 1 265 27 28 ILE CD1 C 14.623 0.002 1 266 27 28 ILE N N 126.643 0.095 1 267 28 29 THR H H 8.285 0.006 1 268 28 29 THR HA H 4.910 0.000 1 269 28 29 THR HB H 4.771 0.000 1 270 28 29 THR HG1 H 5.718 0.013 1 271 28 29 THR HG2 H 1.233 0.002 1 272 28 29 THR C C 176.558 0.002 1 273 28 29 THR CA C 59.029 0.000 1 274 28 29 THR CB C 72.880 0.000 1 275 28 29 THR CG2 C 19.830 0.000 1 276 28 29 THR N N 116.694 0.059 1 277 29 30 THR H H 9.093 0.009 1 278 29 30 THR HA H 3.820 0.009 1 279 29 30 THR HB H 4.126 0.030 1 280 29 30 THR HG2 H 1.247 0.004 1 281 29 30 THR C C 176.920 0.002 1 282 29 30 THR CA C 65.723 0.001 1 283 29 30 THR CB C 68.119 0.000 1 284 29 30 THR CG2 C 21.483 0.001 1 285 29 30 THR N N 112.644 0.052 1 286 30 31 LYS H H 7.415 0.008 1 287 30 31 LYS HA H 4.117 0.000 1 288 30 31 LYS HB2 H 1.805 0.000 1 289 30 31 LYS HB3 H 1.796 0.000 1 290 30 31 LYS HG2 H 1.443 0.001 1 291 30 31 LYS HG3 H 1.311 0.000 1 292 30 31 LYS HD2 H 1.676 0.000 1 293 30 31 LYS HD3 H 1.689 0.000 1 294 30 31 LYS HE2 H 3.184 0.000 1 295 30 31 LYS C C 179.763 0.002 1 296 30 31 LYS CA C 58.604 0.000 1 297 30 31 LYS CB C 32.595 0.000 1 298 30 31 LYS CG C 23.900 0.000 1 299 30 31 LYS CD C 27.110 0.000 1 300 30 31 LYS CE C 42.000 0.000 1 301 30 31 LYS N N 121.097 0.061 1 302 31 32 GLU H H 7.621 0.006 1 303 31 32 GLU HA H 4.181 0.001 1 304 31 32 GLU HB3 H 2.443 0.009 1 305 31 32 GLU HG2 H 2.255 0.062 1 306 31 32 GLU HG3 H 2.304 0.048 1 307 31 32 GLU C C 179.590 0.002 1 308 31 32 GLU CA C 58.755 0.000 1 309 31 32 GLU CB C 29.762 0.001 1 310 31 32 GLU CG C 37.679 0.003 1 311 31 32 GLU N N 122.341 0.046 1 312 32 33 LEU H H 8.653 0.007 1 313 32 33 LEU HA H 4.191 0.000 1 314 32 33 LEU HB2 H 1.350 0.023 1 315 32 33 LEU HB3 H 1.868 0.049 1 316 32 33 LEU HG H 1.718 0.000 1 317 32 33 LEU HD1 H 0.946 0.000 1 318 32 33 LEU HD2 H 0.928 0.023 1 319 32 33 LEU C C 178.401 0.000 1 320 32 33 LEU CA C 57.762 0.000 1 321 32 33 LEU CB C 41.751 0.002 1 322 32 33 LEU CD1 C 24.170 0.000 1 323 32 33 LEU CD2 C 26.231 0.000 1 324 32 33 LEU N N 122.024 0.067 1 325 33 34 GLY H H 8.781 0.004 1 326 33 34 GLY HA2 H 4.004 0.004 1 327 33 34 GLY HA3 H 3.576 0.009 1 328 33 34 GLY C C 174.799 0.002 1 329 33 34 GLY CA C 48.007 0.003 1 330 33 34 GLY N N 107.561 0.021 1 331 34 35 THR H H 7.985 0.005 1 332 34 35 THR HA H 3.998 0.010 1 333 34 35 THR HB H 4.318 0.020 1 334 34 35 THR HG2 H 1.298 0.001 1 335 34 35 THR C C 177.012 0.002 1 336 34 35 THR CA C 66.661 0.001 1 337 34 35 THR CB C 69.179 0.001 1 338 34 35 THR CG2 C 21.279 0.000 1 339 34 35 THR N N 119.500 0.038 1 340 35 36 VAL H H 7.474 0.005 1 341 35 36 VAL HA H 3.664 0.012 1 342 35 36 VAL HB H 1.914 0.008 1 343 35 36 VAL HG1 H 0.326 0.013 1 344 35 36 VAL C C 178.899 0.002 1 345 35 36 VAL CA C 66.053 0.001 1 346 35 36 VAL CB C 32.273 0.000 1 347 35 36 VAL CG1 C 19.299 0.001 1 348 35 36 VAL N N 122.454 0.069 1 349 36 37 MET H H 8.559 0.006 1 350 36 37 MET HA H 3.965 0.004 1 351 36 37 MET HB2 H 1.921 0.000 1 352 36 37 MET HB3 H 2.353 0.000 1 353 36 37 MET HG2 H 2.476 0.532 1 354 36 37 MET HG3 H 2.170 0.658 1 355 36 37 MET HE H 1.763 0.012 1 356 36 37 MET C C 178.432 0.001 1 357 36 37 MET CA C 59.577 0.000 1 358 36 37 MET CB C 31.642 0.000 1 359 36 37 MET CG C 34.082 0.008 1 360 36 37 MET CE C 16.677 0.002 1 361 36 37 MET N N 118.876 0.063 1 362 37 38 ARG H H 8.550 0.005 1 363 37 38 ARG HA H 4.838 0.034 1 364 37 38 ARG HB2 H 1.922 0.000 1 365 37 38 ARG HB3 H 1.931 0.000 1 366 37 38 ARG HG2 H 1.853 0.000 1 367 37 38 ARG HG3 H 1.813 0.000 1 368 37 38 ARG HD2 H 3.125 0.003 1 369 37 38 ARG HD3 H 3.464 0.000 1 370 37 38 ARG HE H 7.645 0.000 1 371 37 38 ARG C C 181.040 0.000 1 372 37 38 ARG CA C 59.007 0.000 1 373 37 38 ARG CB C 30.431 0.000 1 374 37 38 ARG CG C 27.750 0.000 1 375 37 38 ARG CD C 42.811 0.592 1 376 37 38 ARG N N 119.988 0.075 1 377 38 39 SER H H 7.849 0.005 1 378 38 39 SER HA H 4.515 0.004 1 379 38 39 SER HB3 H 4.091 0.025 1 380 38 39 SER C C 174.101 0.000 1 381 38 39 SER CA C 61.159 0.000 1 382 38 39 SER CB C 64.017 0.002 1 383 38 39 SER N N 120.339 0.017 1 384 39 40 LEU H H 7.288 0.009 1 385 39 40 LEU HA H 4.567 0.002 1 386 39 40 LEU HB2 H 1.915 0.003 1 387 39 40 LEU HB3 H 1.931 0.001 1 388 39 40 LEU HG H 1.904 0.024 1 389 39 40 LEU HD1 H 0.709 0.001 1 390 39 40 LEU HD2 H 0.689 0.001 1 391 39 40 LEU C C 176.205 0.000 1 392 39 40 LEU CA C 53.832 0.000 1 393 39 40 LEU CB C 41.356 0.003 1 394 39 40 LEU CG C 25.449 0.001 1 395 39 40 LEU CD1 C 24.380 0.000 1 396 39 40 LEU CD2 C 22.500 0.000 1 397 39 40 LEU N N 120.373 0.064 1 398 40 41 GLY H H 7.805 0.008 1 399 40 41 GLY HA2 H 4.149 0.009 1 400 40 41 GLY HA3 H 3.765 0.004 1 401 40 41 GLY C C 174.074 0.002 1 402 40 41 GLY CA C 45.552 0.004 1 403 40 41 GLY N N 107.357 0.035 1 404 41 42 GLN H H 7.848 0.005 1 405 41 42 GLN HA H 4.481 0.003 1 406 41 42 GLN HB2 H 1.721 0.000 1 407 41 42 GLN HB3 H 1.966 0.005 1 408 41 42 GLN HG2 H 2.163 0.001 1 409 41 42 GLN HG3 H 2.300 0.000 1 410 41 42 GLN HE21 H 6.489 0.000 1 411 41 42 GLN HE22 H 7.124 0.000 1 412 41 42 GLN C C 173.752 0.002 1 413 41 42 GLN CA C 52.892 0.000 1 414 41 42 GLN CB C 30.425 0.000 1 415 41 42 GLN CG C 32.470 0.000 1 416 41 42 GLN N N 117.713 0.045 1 417 42 43 ASN H H 8.614 0.009 1 418 42 43 ASN HA H 5.263 0.017 1 419 42 43 ASN HB2 H 2.741 0.005 1 420 42 43 ASN HB3 H 2.445 0.000 1 421 42 43 ASN HD21 H 6.498 0.000 1 422 42 43 ASN HD22 H 7.514 0.000 1 423 42 43 ASN C C 171.417 0.000 1 424 42 43 ASN CA C 50.683 0.000 1 425 42 43 ASN CB C 39.454 0.000 1 426 42 43 ASN N N 116.914 0.080 1 427 43 44 PRO HA H 4.841 0.026 1 428 43 44 PRO HB2 H 2.286 0.000 1 429 43 44 PRO HB3 H 1.962 0.000 1 430 43 44 PRO HG2 H 2.218 0.000 1 431 43 44 PRO HG3 H 1.941 0.000 1 432 43 44 PRO HD2 H 3.717 0.000 1 433 43 44 PRO HD3 H 3.183 0.016 1 434 43 44 PRO C C 177.344 0.001 1 435 43 44 PRO CA C 61.923 0.000 1 436 43 44 PRO CB C 32.637 0.000 1 437 43 44 PRO CG C 27.513 0.004 1 438 44 45 THR H H 8.403 0.007 1 439 44 45 THR HA H 4.483 0.005 1 440 44 45 THR HB H 4.782 0.023 1 441 44 45 THR HG2 H 1.384 0.029 1 442 44 45 THR C C 174.820 0.002 1 443 44 45 THR CA C 59.963 0.000 1 444 44 45 THR CB C 72.093 0.004 1 445 44 45 THR CG2 C 22.395 0.001 1 446 44 45 THR N N 112.657 0.058 1 447 45 46 GLU H H 8.656 0.006 1 448 45 46 GLU HA H 4.057 0.000 1 449 45 46 GLU HB2 H 1.983 0.000 1 450 45 46 GLU HB3 H 2.001 0.000 1 451 45 46 GLU HG2 H 2.314 0.000 1 452 45 46 GLU HG3 H 2.305 0.000 1 453 45 46 GLU C C 178.577 0.002 1 454 45 46 GLU CA C 59.297 0.000 1 455 45 46 GLU CB C 29.130 0.000 1 456 45 46 GLU CG C 32.920 0.000 1 457 45 46 GLU N N 121.153 0.058 1 458 46 47 ALA H H 8.099 0.005 1 459 46 47 ALA HA H 4.091 0.000 1 460 46 47 ALA HB H 1.342 0.000 1 461 46 47 ALA C C 179.411 0.002 1 462 46 47 ALA CA C 54.483 0.000 1 463 46 47 ALA CB C 18.660 0.000 1 464 46 47 ALA N N 120.993 0.055 1 465 47 48 GLU H H 7.492 0.004 1 466 47 48 GLU HA H 4.094 0.000 1 467 47 48 GLU HB2 H 1.878 0.000 1 468 47 48 GLU HB3 H 1.957 0.000 1 469 47 48 GLU HG2 H 2.274 0.000 1 470 47 48 GLU HG3 H 2.250 0.000 1 471 47 48 GLU C C 179.232 0.002 1 472 47 48 GLU CA C 58.615 0.000 1 473 47 48 GLU CB C 30.050 0.000 1 474 47 48 GLU CG C 35.040 0.000 1 475 47 48 GLU N N 118.955 0.050 1 476 48 49 LEU H H 7.798 0.007 1 477 48 49 LEU HA H 4.173 0.002 1 478 48 49 LEU HB2 H 2.125 0.016 1 479 48 49 LEU HB3 H 1.173 0.002 1 480 48 49 LEU HG H 1.892 0.000 1 481 48 49 LEU HD1 H 0.901 0.015 1 482 48 49 LEU HD2 H 0.833 0.000 1 483 48 49 LEU C C 178.406 0.001 1 484 48 49 LEU CA C 57.398 0.000 1 485 48 49 LEU CB C 42.089 0.018 1 486 48 49 LEU CD1 C 25.636 0.001 1 487 48 49 LEU CD2 C 21.890 0.000 1 488 48 49 LEU N N 119.597 0.037 1 489 49 50 GLN H H 7.994 0.010 1 490 49 50 GLN HA H 3.877 0.000 1 491 49 50 GLN HB2 H 2.040 0.001 1 492 49 50 GLN HB3 H 2.215 0.001 1 493 49 50 GLN HG2 H 2.368 0.000 1 494 49 50 GLN HG3 H 2.422 0.000 1 495 49 50 GLN C C 178.013 0.001 1 496 49 50 GLN CA C 57.938 0.000 1 497 49 50 GLN CB C 28.758 0.002 1 498 49 50 GLN CG C 33.298 0.049 1 499 49 50 GLN N N 118.544 0.075 1 500 50 51 ASP H H 8.103 0.009 1 501 50 51 ASP HA H 4.047 0.000 1 502 50 51 ASP HB2 H 2.612 0.150 1 503 50 51 ASP HB3 H 2.917 0.000 1 504 50 51 ASP C C 178.483 0.002 1 505 50 51 ASP CA C 57.244 0.000 1 506 50 51 ASP CB C 40.078 0.029 1 507 50 51 ASP N N 120.368 0.039 1 508 51 52 MET H H 7.729 0.010 1 509 51 52 MET HA H 4.087 0.000 1 510 51 52 MET HB2 H 1.849 0.006 1 511 51 52 MET HB3 H 2.267 0.012 1 512 51 52 MET HG2 H 2.991 0.043 1 513 51 52 MET HG3 H 2.946 0.019 1 514 51 52 MET HE H 2.004 0.032 1 515 51 52 MET C C 176.755 0.001 1 516 51 52 MET CA C 60.200 0.000 1 517 51 52 MET CB C 34.756 0.003 1 518 51 52 MET CG C 32.670 0.004 1 519 51 52 MET CE C 16.492 0.001 1 520 51 52 MET N N 119.087 0.063 1 521 52 53 ILE H H 7.508 0.005 1 522 52 53 ILE HA H 3.509 0.008 1 523 52 53 ILE HB H 1.825 0.000 1 524 52 53 ILE HG12 H 1.274 0.021 1 525 52 53 ILE HG13 H 1.665 0.000 1 526 52 53 ILE HG2 H 0.952 0.007 1 527 52 53 ILE HD1 H 0.688 0.006 1 528 52 53 ILE C C 178.167 0.002 1 529 52 53 ILE CA C 64.206 0.001 1 530 52 53 ILE CB C 37.354 0.000 1 531 52 53 ILE CG1 C 29.268 0.078 1 532 52 53 ILE CG2 C 18.050 0.000 1 533 52 53 ILE CD1 C 12.148 0.002 1 534 52 53 ILE N N 116.695 0.082 1 535 53 54 ASN H H 8.463 0.008 1 536 53 54 ASN HA H 4.414 0.009 1 537 53 54 ASN HB2 H 2.907 0.000 1 538 53 54 ASN HB3 H 2.966 0.000 1 539 53 54 ASN HD21 H 7.590 0.000 1 540 53 54 ASN HD22 H 7.233 0.000 1 541 53 54 ASN C C 177.316 0.002 1 542 53 54 ASN CA C 55.354 0.000 1 543 53 54 ASN CB C 38.819 0.000 1 544 53 54 ASN N N 117.463 0.054 1 545 54 55 GLU H H 7.122 0.007 1 546 54 55 GLU HA H 4.061 0.002 1 547 54 55 GLU HB2 H 2.166 0.000 1 548 54 55 GLU HB3 H 1.969 0.000 1 549 54 55 GLU HG2 H 2.826 0.018 1 550 54 55 GLU HG3 H 2.478 0.013 1 551 54 55 GLU C C 177.008 0.002 1 552 54 55 GLU CA C 56.820 0.000 1 553 54 55 GLU CB C 30.577 0.000 1 554 54 55 GLU CG C 35.751 0.054 1 555 54 55 GLU N N 114.033 0.071 1 556 55 56 VAL H H 7.222 0.008 1 557 55 56 VAL HA H 4.387 0.000 1 558 55 56 VAL HB H 2.186 0.000 1 559 55 56 VAL HG1 H 0.897 0.012 1 560 55 56 VAL C C 174.756 0.001 1 561 55 56 VAL CA C 60.261 0.000 1 562 55 56 VAL CB C 33.459 0.000 1 563 55 56 VAL CG1 C 20.869 0.001 1 564 55 56 VAL CG2 C 22.100 0.000 1 565 55 56 VAL N N 111.269 0.055 1 566 56 57 ASP H H 7.484 0.007 1 567 56 57 ASP HA H 4.456 0.027 1 568 56 57 ASP HB2 H 2.361 0.246 1 569 56 57 ASP HB3 H 2.509 0.329 1 570 56 57 ASP C C 175.537 0.002 1 571 56 57 ASP CA C 52.547 0.002 1 572 56 57 ASP CB C 39.526 0.008 1 573 56 57 ASP N N 122.150 0.011 1 574 57 58 ALA H H 7.858 0.008 1 575 57 58 ALA HA H 4.218 0.009 1 576 57 58 ALA HB H 1.497 0.001 1 577 57 58 ALA C C 178.402 0.001 1 578 57 58 ALA CA C 53.908 0.000 1 579 57 58 ALA CB C 20.128 0.000 1 580 57 58 ALA N N 131.497 0.072 1 581 58 59 ASP H H 8.114 0.009 1 582 58 59 ASP HA H 4.617 0.007 1 583 58 59 ASP HB2 H 2.980 0.000 1 584 58 59 ASP HB3 H 2.641 0.001 1 585 58 59 ASP C C 177.459 0.000 1 586 58 59 ASP CA C 52.373 0.000 1 587 58 59 ASP CB C 40.077 0.000 1 588 58 59 ASP N N 114.401 0.060 1 589 59 60 GLY H H 7.441 0.009 1 590 59 60 GLY HA2 H 3.754 0.004 1 591 59 60 GLY HA3 H 3.886 0.005 1 592 59 60 GLY C C 174.741 0.002 1 593 59 60 GLY CA C 46.617 0.007 1 594 59 60 GLY N N 109.061 0.051 1 595 60 61 ASN H H 8.060 0.008 1 596 60 61 ASN HA H 4.624 0.007 1 597 60 61 ASN HB2 H 3.278 0.000 1 598 60 61 ASN HB3 H 2.652 0.007 1 599 60 61 ASN HD21 H 6.901 0.000 1 600 60 61 ASN HD22 H 7.720 0.000 1 601 60 61 ASN C C 176.487 0.002 1 602 60 61 ASN CA C 52.217 0.000 1 603 60 61 ASN CB C 37.537 0.002 1 604 60 61 ASN N N 119.319 0.037 1 605 61 62 GLY H H 10.460 0.014 1 606 61 62 GLY HA2 H 4.243 0.002 1 607 61 62 GLY HA3 H 3.460 0.007 1 608 61 62 GLY C C 172.809 0.000 1 609 61 62 GLY CA C 45.082 0.023 1 610 61 62 GLY N N 113.810 0.082 1 611 62 63 THR H H 7.479 0.007 1 612 62 63 THR HA H 4.878 0.018 1 613 62 63 THR HB H 4.019 0.114 1 614 62 63 THR HG2 H 1.068 0.003 1 615 62 63 THR C C 173.288 0.002 1 616 62 63 THR CA C 58.805 0.000 1 617 62 63 THR CB C 72.138 0.006 1 618 62 63 THR CG2 C 21.060 0.000 1 619 62 63 THR N N 108.461 0.053 1 620 63 64 ILE H H 8.526 0.008 1 621 63 64 ILE HA H 4.854 0.000 1 622 63 64 ILE HB H 1.953 0.034 1 623 63 64 ILE HG12 H 1.202 0.001 1 624 63 64 ILE HG13 H 1.581 0.000 1 625 63 64 ILE HG2 H 1.104 0.002 1 626 63 64 ILE HD1 H 0.773 0.026 1 627 63 64 ILE C C 175.576 0.002 1 628 63 64 ILE CA C 59.411 0.000 1 629 63 64 ILE CB C 40.293 0.000 1 630 63 64 ILE CG1 C 26.700 0.000 1 631 63 64 ILE CG2 C 18.523 0.001 1 632 63 64 ILE CD1 C 13.406 0.000 1 633 63 64 ILE N N 123.254 0.071 1 634 64 65 ASP H H 8.959 0.005 1 635 64 65 ASP HA H 5.533 0.023 1 636 64 65 ASP HB2 H 2.822 0.101 1 637 64 65 ASP HB3 H 3.129 0.092 1 638 64 65 ASP C C 175.882 0.002 1 639 64 65 ASP CA C 51.598 0.000 1 640 64 65 ASP CB C 42.271 0.005 1 641 64 65 ASP N N 129.011 0.070 1 642 65 66 PHE H H 8.907 0.009 1 643 65 66 PHE HA H 4.002 0.001 1 644 65 66 PHE HB2 H 2.769 0.000 2 645 65 66 PHE HB3 H 2.769 0.000 2 646 65 66 PHE HD1 H 6.683 0.000 1 647 65 66 PHE HD2 H 6.683 0.000 1 648 65 66 PHE HE1 H 6.997 0.000 1 649 65 66 PHE HE2 H 6.997 0.000 1 650 65 66 PHE HZ H 7.184 0.001 1 651 65 66 PHE CA C 62.326 0.000 1 652 65 66 PHE CB C 36.292 0.000 1 653 65 66 PHE N N 119.424 0.087 1 654 66 67 PRO HA H 3.800 0.000 1 655 66 67 PRO HB2 H 2.297 0.000 1 656 66 67 PRO HB3 H 1.921 0.000 1 657 66 67 PRO HG2 H 1.853 0.000 2 658 66 67 PRO HG3 H 1.853 0.000 2 659 66 67 PRO C C 179.885 0.001 1 660 66 67 PRO CA C 66.250 0.000 1 661 66 67 PRO CB C 31.165 0.000 1 662 66 67 PRO CG C 27.300 0.000 1 663 66 67 PRO CD C 49.492 0.000 1 664 67 68 GLU H H 8.330 0.006 1 665 67 68 GLU HA H 4.025 0.001 1 666 67 68 GLU HB2 H 1.896 0.000 1 667 67 68 GLU HB3 H 2.653 0.037 1 668 67 68 GLU HG3 H 2.298 0.050 1 669 67 68 GLU C C 179.373 0.002 1 670 67 68 GLU CA C 58.449 0.000 1 671 67 68 GLU CB C 30.591 0.027 1 672 67 68 GLU CG C 38.537 0.001 1 673 67 68 GLU N N 118.633 0.124 1 674 68 69 PHE H H 8.678 0.010 1 675 68 69 PHE HA H 3.994 0.000 1 676 68 69 PHE HB2 H 3.115 0.000 1 677 68 69 PHE HB3 H 3.471 0.023 1 678 68 69 PHE HD1 H 6.801 0.000 1 679 68 69 PHE HD2 H 6.801 0.000 1 680 68 69 PHE HE1 H 6.950 0.000 1 681 68 69 PHE HE2 H 6.950 0.000 1 682 68 69 PHE C C 176.298 0.002 1 683 68 69 PHE CA C 61.108 0.000 1 684 68 69 PHE CB C 40.523 0.151 1 685 68 69 PHE N N 125.213 0.065 1 686 69 70 LEU H H 8.674 0.008 1 687 69 70 LEU HA H 3.485 0.002 1 688 69 70 LEU HB2 H 1.354 0.027 1 689 69 70 LEU HB3 H 1.225 0.001 1 690 69 70 LEU HG H 1.008 0.000 1 691 69 70 LEU HD2 H 0.666 0.000 1 692 69 70 LEU C C 178.703 0.002 1 693 69 70 LEU CA C 57.539 0.000 1 694 69 70 LEU CB C 40.942 0.003 1 695 69 70 LEU CG C 24.430 0.000 1 696 69 70 LEU CD1 C 24.220 0.000 1 697 69 70 LEU CD2 C 23.940 0.000 1 698 69 70 LEU N N 119.762 0.045 1 699 70 71 THR H H 7.812 0.007 1 700 70 71 THR HA H 3.758 0.000 1 701 70 71 THR HB H 4.023 0.007 1 702 70 71 THR HG2 H 1.179 0.000 1 703 70 71 THR C C 176.424 0.002 1 704 70 71 THR CA C 66.426 0.000 1 705 70 71 THR CB C 68.175 0.006 1 706 70 71 THR CG2 C 20.930 0.000 1 707 70 71 THR N N 115.325 0.046 1 708 71 72 MET H H 7.429 0.005 1 709 71 72 MET HA H 4.018 0.000 1 710 71 72 MET HB2 H 1.781 0.000 1 711 71 72 MET HB3 H 1.963 0.000 1 712 71 72 MET HG2 H 2.130 0.000 1 713 71 72 MET HG3 H 2.299 0.000 1 714 71 72 MET HE H 1.290 0.041 1 715 71 72 MET C C 176.895 0.001 1 716 71 72 MET CA C 58.446 0.000 1 717 71 72 MET CB C 31.637 0.000 1 718 71 72 MET CG C 32.270 0.000 1 719 71 72 MET CE C 17.465 0.001 1 720 71 72 MET N N 120.625 0.025 1 721 72 73 MET H H 7.511 0.006 1 722 72 73 MET HA H 3.914 0.003 1 723 72 73 MET HB2 H 1.591 0.000 1 724 72 73 MET HB3 H 1.737 0.000 1 725 72 73 MET HG2 H 1.133 0.035 1 726 72 73 MET HG3 H 1.196 0.014 1 727 72 73 MET HE H 1.460 0.002 1 728 72 73 MET C C 177.590 0.001 1 729 72 73 MET CA C 54.515 0.001 1 730 72 73 MET CB C 30.317 0.000 1 731 72 73 MET CG C 31.593 0.012 1 732 72 73 MET CE C 17.579 0.010 1 733 72 73 MET N N 116.592 0.050 1 734 73 74 ALA H H 7.580 0.002 1 735 73 74 ALA HA H 4.229 0.017 1 736 73 74 ALA HB H 1.460 0.000 1 737 73 74 ALA C C 177.357 0.002 1 738 73 74 ALA CA C 52.452 0.007 1 739 73 74 ALA CB C 19.962 0.000 1 740 73 74 ALA N N 120.975 0.061 1 741 74 75 ARG H H 6.989 0.006 1 742 74 75 ARG HA H 4.270 0.000 1 743 74 75 ARG HB2 H 1.942 0.000 1 744 74 75 ARG HB3 H 1.964 0.000 1 745 74 75 ARG HG2 H 1.745 0.000 1 746 74 75 ARG HG3 H 1.833 0.000 1 747 74 75 ARG HD2 H 3.092 0.000 1 748 74 75 ARG HD3 H 3.110 0.000 1 749 74 75 ARG HE H 7.643 0.000 1 750 74 75 ARG C C 175.504 0.022 1 751 74 75 ARG CA C 56.919 0.000 1 752 74 75 ARG CB C 30.428 0.000 1 753 74 75 ARG CG C 26.820 0.000 1 754 74 75 ARG CD C 43.650 0.000 1 755 74 75 ARG N N 118.926 0.041 1 756 75 76 LYS H H 7.623 0.009 1 757 75 76 LYS HA H 4.275 0.000 1 758 75 76 LYS HB3 H 1.746 0.000 1 759 75 76 LYS HG2 H 1.469 0.000 1 760 75 76 LYS HG3 H 1.446 0.000 1 761 75 76 LYS HD3 H 1.640 0.000 1 762 75 76 LYS HE2 H 3.085 0.000 1 763 75 76 LYS HE3 H 3.144 0.000 1 764 75 76 LYS C C 177.431 0.001 1 765 75 76 LYS CA C 56.113 0.000 1 766 75 76 LYS CB C 32.416 0.000 1 767 75 76 LYS CG C 23.540 0.000 1 768 75 76 LYS CD C 28.930 0.000 1 769 75 76 LYS CE C 41.760 0.000 1 770 75 76 LYS N N 119.102 0.056 1 771 76 77 MET H H 7.906 0.005 1 772 76 77 MET HA H 4.178 0.003 1 773 76 77 MET HB2 H 2.007 0.000 1 774 76 77 MET HB3 H 2.216 0.000 1 775 76 77 MET HG3 H 2.451 0.000 1 776 76 77 MET HE H 2.172 0.002 1 777 76 77 MET C C 177.468 0.012 1 778 76 77 MET CA C 56.290 0.000 1 779 76 77 MET CB C 33.371 0.000 1 780 76 77 MET CG C 31.530 0.000 1 781 76 77 MET CE C 17.617 0.002 1 782 76 77 MET N N 118.523 0.012 1 783 77 78 LYS H H 7.569 0.005 1 784 77 78 LYS HA H 4.301 0.000 1 785 77 78 LYS HB2 H 1.831 0.025 1 786 77 78 LYS HB3 H 1.884 0.000 1 787 77 78 LYS HG3 H 1.427 0.000 1 788 77 78 LYS HD2 H 1.769 0.000 1 789 77 78 LYS HD3 H 1.751 0.000 1 790 77 78 LYS HE2 H 2.863 0.000 1 791 77 78 LYS C C 176.139 0.001 1 792 77 78 LYS CA C 56.824 0.000 1 793 77 78 LYS CB C 33.731 0.001 1 794 77 78 LYS CG C 24.040 0.000 1 795 77 78 LYS CD C 28.830 0.000 1 796 77 78 LYS CE C 42.700 0.000 1 797 77 78 LYS N N 121.066 0.074 1 798 78 79 ASP H H 8.187 0.008 1 799 78 79 ASP HA H 4.646 0.004 1 800 78 79 ASP HB3 H 2.838 0.000 1 801 78 79 ASP C C 176.657 0.004 1 802 78 79 ASP CA C 54.062 0.000 1 803 78 79 ASP CB C 41.139 0.000 1 804 78 79 ASP N N 121.952 0.101 1 805 79 80 THR H H 7.983 0.008 1 806 79 80 THR HA H 4.347 0.000 1 807 79 80 THR HB H 4.223 0.000 1 808 79 80 THR HG2 H 0.847 0.000 1 809 79 80 THR C C 174.087 0.000 1 810 79 80 THR CA C 62.381 0.000 1 811 79 80 THR CB C 70.175 0.000 1 812 79 80 THR CG2 C 21.300 0.000 1 813 79 80 THR N N 115.295 0.070 1 814 80 81 ASP H H 8.250 0.006 1 815 80 81 ASP HA H 4.630 0.000 1 816 80 81 ASP HB2 H 2.737 0.000 1 817 80 81 ASP HB3 H 2.713 0.000 1 818 80 81 ASP C C 175.818 0.006 1 819 80 81 ASP CA C 54.397 0.000 1 820 80 81 ASP CB C 41.563 0.000 1 821 80 81 ASP N N 123.279 0.083 1 822 81 82 SER H H 8.311 0.004 1 823 81 82 SER HA H 4.560 0.006 1 824 81 82 SER HB3 H 4.156 0.103 1 825 81 82 SER C C 173.280 0.002 1 826 81 82 SER CA C 60.903 0.000 1 827 81 82 SER CB C 64.985 0.000 1 828 81 82 SER N N 117.361 0.008 1 829 82 83 GLU H H 7.749 0.178 1 830 82 83 GLU HA H 4.370 0.009 1 831 82 83 GLU HB2 H 1.975 0.000 1 832 82 83 GLU HB3 H 2.004 0.000 1 833 82 83 GLU HG2 H 2.268 0.000 1 834 82 83 GLU HG3 H 2.283 0.000 1 835 82 83 GLU C C 174.321 0.008 1 836 82 83 GLU CA C 59.430 0.000 1 837 82 83 GLU CB C 34.424 0.000 1 838 82 83 GLU CG C 36.830 0.000 1 839 82 83 GLU N N 121.353 0.038 1 840 83 84 GLU H H 8.362 0.005 1 841 83 84 GLU HA H 4.005 0.000 1 842 83 84 GLU HB2 H 2.034 0.000 1 843 83 84 GLU HG2 H 2.363 0.000 1 844 83 84 GLU C C 176.831 0.000 1 845 83 84 GLU CA C 60.137 0.000 1 846 83 84 GLU CB C 30.031 0.000 1 847 83 84 GLU N N 122.554 0.071 1 848 84 85 GLU HA H 4.062 0.000 1 849 84 85 GLU HB2 H 1.943 0.000 1 850 84 85 GLU HB3 H 2.295 0.000 1 851 84 85 GLU HG2 H 2.285 0.000 1 852 84 85 GLU HG3 H 2.374 0.000 1 853 84 85 GLU C C 178.501 0.002 1 854 84 85 GLU CA C 60.038 0.000 1 855 84 85 GLU CB C 30.104 0.000 1 856 84 85 GLU CG C 37.140 0.000 1 857 85 86 ILE H H 8.245 0.007 1 858 85 86 ILE HA H 3.834 0.020 1 859 85 86 ILE HB H 1.986 0.025 1 860 85 86 ILE HG12 H 0.860 0.000 1 861 85 86 ILE HG13 H 1.796 0.000 1 862 85 86 ILE HG2 H 1.052 0.000 1 863 85 86 ILE HD1 H 0.799 0.001 1 864 85 86 ILE C C 177.521 0.001 1 865 85 86 ILE CA C 64.942 0.001 1 866 85 86 ILE CB C 37.916 0.001 1 867 85 86 ILE CG1 C 28.990 0.000 1 868 85 86 ILE CG2 C 19.530 0.000 1 869 85 86 ILE CD1 C 13.857 0.000 1 870 85 86 ILE N N 117.935 0.079 1 871 86 87 ARG H H 8.083 0.005 1 872 86 87 ARG HA H 3.994 0.000 1 873 86 87 ARG HB2 H 2.005 0.000 1 874 86 87 ARG HB3 H 1.989 0.000 1 875 86 87 ARG HG2 H 1.640 0.000 1 876 86 87 ARG HG3 H 1.805 0.000 1 877 86 87 ARG HD2 H 3.309 0.033 1 878 86 87 ARG HD3 H 3.366 0.037 1 879 86 87 ARG C C 177.938 0.003 1 880 86 87 ARG CA C 60.930 0.000 1 881 86 87 ARG CB C 30.704 0.000 1 882 86 87 ARG CG C 28.010 0.000 1 883 86 87 ARG CD C 42.282 0.010 1 884 86 87 ARG N N 119.806 0.054 1 885 87 88 GLU H H 8.281 0.005 1 886 87 88 GLU HA H 4.056 0.000 1 887 87 88 GLU HB3 H 1.973 0.000 1 888 87 88 GLU HG2 H 2.360 0.000 1 889 87 88 GLU HG3 H 2.371 0.000 1 890 87 88 GLU C C 178.126 0.004 1 891 87 88 GLU CA C 58.382 0.000 1 892 87 88 GLU CB C 29.607 0.000 1 893 87 88 GLU CG C 35.630 0.000 1 894 87 88 GLU N N 118.255 0.044 1 895 88 89 ALA H H 8.038 0.008 1 896 88 89 ALA HA H 3.756 0.016 1 897 88 89 ALA HB H 1.378 0.001 1 898 88 89 ALA C C 178.510 0.000 1 899 88 89 ALA CA C 54.825 0.001 1 900 88 89 ALA CB C 17.777 0.001 1 901 88 89 ALA N N 123.641 0.044 1 902 89 90 PHE H H 7.614 0.007 1 903 89 90 PHE HA H 3.811 0.014 1 904 89 90 PHE HB2 H 1.753 0.000 1 905 89 90 PHE HB3 H 2.598 0.000 1 906 89 90 PHE HD1 H 6.978 0.001 1 907 89 90 PHE HD2 H 6.978 0.001 1 908 89 90 PHE HE1 H 6.885 0.000 1 909 89 90 PHE HE2 H 6.885 0.000 1 910 89 90 PHE C C 178.401 0.001 1 911 89 90 PHE CA C 62.414 0.001 1 912 89 90 PHE CB C 41.024 0.000 1 913 89 90 PHE N N 115.385 0.061 1 914 90 91 ARG H H 7.918 0.008 1 915 90 91 ARG HA H 4.072 0.001 1 916 90 91 ARG HB2 H 1.927 0.002 1 917 90 91 ARG HB3 H 1.936 0.001 1 918 90 91 ARG HG2 H 1.892 0.000 1 919 90 91 ARG HG3 H 1.973 0.000 1 920 90 91 ARG HD3 H 3.148 0.006 1 921 90 91 ARG HE H 7.254 0.000 1 922 90 91 ARG C C 178.559 0.002 1 923 90 91 ARG CA C 58.626 0.000 1 924 90 91 ARG CB C 30.025 0.000 1 925 90 91 ARG CG C 29.050 0.000 1 926 90 91 ARG CD C 42.921 0.002 1 927 90 91 ARG N N 118.437 0.116 1 928 91 92 VAL H H 7.056 0.008 1 929 91 92 VAL HA H 3.326 0.013 1 930 91 92 VAL HB H 1.685 0.000 1 931 91 92 VAL HG1 H 0.929 0.009 1 932 91 92 VAL C C 178.560 0.028 1 933 91 92 VAL CA C 65.149 0.001 1 934 91 92 VAL CB C 31.201 0.000 1 935 91 92 VAL CG1 C 23.051 0.002 1 936 91 92 VAL CG2 C 21.947 0.001 1 937 91 92 VAL N N 119.135 0.040 1 938 92 93 PHE H H 6.829 0.009 1 939 92 93 PHE HA H 4.583 0.047 1 940 92 93 PHE HB2 H 2.582 0.000 1 941 92 93 PHE HB3 H 3.245 0.000 1 942 92 93 PHE HD1 H 6.707 0.000 1 943 92 93 PHE HD2 H 6.707 0.000 1 944 92 93 PHE HE1 H 7.114 0.000 1 945 92 93 PHE HE2 H 7.114 0.000 1 946 92 93 PHE HZ H 6.842 0.000 1 947 92 93 PHE C C 174.234 0.005 1 948 92 93 PHE CA C 57.726 0.001 1 949 92 93 PHE CB C 39.815 0.000 1 950 92 93 PHE N N 115.220 0.251 1 951 93 94 ASP H H 7.323 0.006 1 952 93 94 ASP HA H 4.597 0.000 1 953 93 94 ASP HB2 H 1.149 0.011 1 954 93 94 ASP HB3 H 2.180 0.072 1 955 93 94 ASP C C 175.515 0.001 1 956 93 94 ASP CA C 51.877 0.000 1 957 93 94 ASP CB C 40.974 0.070 1 958 93 94 ASP N N 120.587 0.053 1 959 94 95 LYS H H 8.181 0.009 1 960 94 95 LYS HA H 4.012 0.006 1 961 94 95 LYS HB2 H 2.025 0.001 1 962 94 95 LYS HB3 H 2.033 0.000 1 963 94 95 LYS HG2 H 1.461 0.000 2 964 94 95 LYS HG3 H 1.461 0.000 2 965 94 95 LYS HD2 H 1.700 0.000 1 966 94 95 LYS HD3 H 1.688 0.000 1 967 94 95 LYS HE2 H 3.085 0.001 1 968 94 95 LYS HE3 H 3.067 0.001 1 969 94 95 LYS C C 177.393 0.001 1 970 94 95 LYS CA C 58.493 0.000 1 971 94 95 LYS CB C 32.772 0.000 1 972 94 95 LYS CG C 25.420 0.000 1 973 94 95 LYS CD C 27.940 0.000 1 974 94 95 LYS CE C 39.950 0.000 1 975 94 95 LYS N N 123.890 0.247 1 976 95 96 ASP H H 8.184 0.074 1 977 95 96 ASP HA H 4.681 0.020 1 978 95 96 ASP HB2 H 2.861 0.013 1 979 95 96 ASP HB3 H 2.648 0.000 1 980 95 96 ASP C C 175.963 0.006 1 981 95 96 ASP CA C 54.722 0.000 1 982 95 96 ASP CB C 41.733 0.035 1 983 95 96 ASP N N 115.030 0.101 1 984 96 97 GLY H H 7.767 0.006 1 985 96 97 GLY HA2 H 3.767 0.090 1 986 96 97 GLY HA3 H 4.146 0.021 1 987 96 97 GLY C C 175.276 0.008 1 988 96 97 GLY CA C 45.635 0.006 1 989 96 97 GLY N N 109.801 0.000 1 990 97 98 ASN H H 8.180 0.010 1 991 97 98 ASN HA H 4.680 0.000 1 992 97 98 ASN HB2 H 3.444 0.019 1 993 97 98 ASN HB3 H 2.898 0.027 1 994 97 98 ASN HD21 H 6.887 0.000 1 995 97 98 ASN HD22 H 7.568 0.000 1 996 97 98 ASN C C 177.340 0.019 1 997 97 98 ASN CA C 52.837 0.000 1 998 97 98 ASN CB C 38.896 0.007 1 999 97 98 ASN N N 120.336 0.087 1 1000 98 99 GLY H H 10.246 0.004 1 1001 98 99 GLY HA2 H 3.061 0.026 1 1002 98 99 GLY HA3 H 3.817 0.037 1 1003 98 99 GLY C C 172.190 0.004 1 1004 98 99 GLY CA C 44.808 0.003 1 1005 98 99 GLY N N 112.977 0.195 1 1006 99 100 TYR H H 7.438 0.015 1 1007 99 100 TYR HA H 5.526 0.015 1 1008 99 100 TYR HB2 H 2.463 0.049 1 1009 99 100 TYR HB3 H 2.521 0.036 1 1010 99 100 TYR HD1 H 6.707 0.004 1 1011 99 100 TYR HD2 H 6.707 0.004 1 1012 99 100 TYR HE1 H 6.727 0.000 1 1013 99 100 TYR HE2 H 6.727 0.000 1 1014 99 100 TYR C C 174.793 0.004 1 1015 99 100 TYR CA C 55.444 0.000 1 1016 99 100 TYR CB C 42.424 0.002 1 1017 99 100 TYR N N 115.886 0.157 1 1018 100 101 ILE H H 8.739 0.005 1 1019 100 101 ILE HA H 4.797 0.005 1 1020 100 101 ILE HB H 1.710 0.017 1 1021 100 101 ILE HG12 H 1.456 0.000 1 1022 100 101 ILE HG13 H 1.790 0.000 1 1023 100 101 ILE HG2 H 1.058 0.002 1 1024 100 101 ILE HD1 H -0.076 0.001 1 1025 100 101 ILE C C 174.161 0.004 1 1026 100 101 ILE CA C 59.753 0.003 1 1027 100 101 ILE CB C 43.055 0.000 1 1028 100 101 ILE CG1 C 27.070 0.000 1 1029 100 101 ILE CG2 C 18.484 0.001 1 1030 100 101 ILE CD1 C 12.428 0.008 1 1031 100 101 ILE N N 117.860 0.022 1 1032 101 102 SER H H 9.093 0.010 1 1033 101 102 SER HA H 4.747 0.012 1 1034 101 102 SER HB2 H 4.307 0.115 1 1035 101 102 SER HB3 H 4.157 0.033 1 1036 101 102 SER C C 177.475 0.032 1 1037 101 102 SER CA C 58.101 0.000 1 1038 101 102 SER CB C 65.056 0.001 1 1039 101 102 SER N N 125.054 0.039 1 1040 102 103 ALA H H 9.135 0.014 1 1041 102 103 ALA HA H 3.983 0.000 1 1042 102 103 ALA HB H 1.177 0.000 1 1043 102 103 ALA C C 177.531 0.018 1 1044 102 103 ALA CA C 55.076 0.000 1 1045 102 103 ALA CB C 18.109 0.000 1 1046 102 103 ALA N N 122.773 0.033 1 1047 103 104 ALA H H 8.248 0.015 1 1048 103 104 ALA HA H 4.068 0.000 1 1049 103 104 ALA HB H 1.348 0.004 1 1050 103 104 ALA C C 179.982 0.002 1 1051 103 104 ALA CA C 54.633 0.000 1 1052 103 104 ALA CB C 18.794 0.000 1 1053 103 104 ALA N N 119.536 0.080 1 1054 104 105 GLU H H 7.867 0.004 1 1055 104 105 GLU HA H 4.294 0.000 1 1056 104 105 GLU HB2 H 2.129 0.002 1 1057 104 105 GLU HB3 H 2.142 0.000 1 1058 104 105 GLU HG2 H 2.299 0.000 1 1059 104 105 GLU HG3 H 2.419 0.000 1 1060 104 105 GLU C C 175.217 0.029 1 1061 104 105 GLU CA C 58.253 0.000 1 1062 104 105 GLU CB C 29.411 0.000 1 1063 104 105 GLU CG C 34.870 0.000 1 1064 104 105 GLU N N 121.803 0.105 1 1065 105 106 LEU H H 8.461 0.046 1 1066 105 106 LEU HA H 3.891 0.009 1 1067 105 106 LEU HB2 H 1.374 0.000 1 1068 105 106 LEU HB3 H 1.832 0.000 1 1069 105 106 LEU HG H 1.523 0.000 1 1070 105 106 LEU HD1 H 0.758 0.000 1 1071 105 106 LEU HD2 H 0.699 0.000 1 1072 105 106 LEU C C 177.588 0.001 1 1073 105 106 LEU CA C 57.172 0.000 1 1074 105 106 LEU CB C 41.539 0.000 1 1075 105 106 LEU CG C 26.370 0.000 1 1076 105 106 LEU CD1 C 22.050 0.000 1 1077 105 106 LEU CD2 C 24.445 0.000 1 1078 105 106 LEU N N 120.486 0.189 1 1079 106 107 ARG H H 8.147 0.006 1 1080 106 107 ARG HA H 3.769 0.003 1 1081 106 107 ARG HB2 H 1.977 0.000 1 1082 106 107 ARG HB3 H 1.822 0.000 1 1083 106 107 ARG HG2 H 1.497 0.000 1 1084 106 107 ARG HG3 H 1.522 0.000 1 1085 106 107 ARG HD2 H 3.000 0.000 1 1086 106 107 ARG HD3 H 3.217 0.000 1 1087 106 107 ARG HE H 7.460 0.000 1 1088 106 107 ARG C C 177.667 0.001 1 1089 106 107 ARG CA C 59.897 0.000 1 1090 106 107 ARG CB C 30.035 0.000 1 1091 106 107 ARG CG C 28.220 0.000 1 1092 106 107 ARG N N 118.782 0.042 1 1093 107 108 HIS H H 7.709 0.006 1 1094 107 108 HIS HA H 4.156 0.000 1 1095 107 108 HIS HB2 H 3.184 0.000 1 1096 107 108 HIS HB3 H 3.188 0.000 1 1097 107 108 HIS HD2 H 7.085 0.007 1 1098 107 108 HIS C C 178.227 0.012 1 1099 107 108 HIS CA C 59.759 0.000 1 1100 107 108 HIS CB C 32.588 0.000 1 1101 107 108 HIS N N 119.560 0.041 1 1102 108 109 VAL H H 8.549 0.031 1 1103 108 109 VAL HA H 3.655 0.001 1 1104 108 109 VAL HB H 1.761 0.000 1 1105 108 109 VAL HG1 H 0.409 0.043 1 1106 108 109 VAL HG2 H 0.624 0.013 1 1107 108 109 VAL C C 176.747 0.006 1 1108 108 109 VAL CA C 65.514 0.000 1 1109 108 109 VAL CB C 31.946 0.000 1 1110 108 109 VAL CG1 C 21.575 0.001 1 1111 108 109 VAL CG2 C 24.959 0.013 1 1112 108 109 VAL N N 118.721 0.210 1 1113 109 110 MET H H 8.165 0.008 1 1114 109 110 MET HA H 4.105 0.023 1 1115 109 110 MET HB2 H 1.851 0.005 1 1116 109 110 MET HB3 H 2.237 0.000 1 1117 109 110 MET HG2 H 2.280 0.000 1 1118 109 110 MET HG3 H 2.517 0.000 1 1119 109 110 MET HE H 1.886 0.036 1 1120 109 110 MET C C 177.671 0.000 1 1121 109 110 MET CA C 55.869 0.000 1 1122 109 110 MET CB C 36.543 0.050 1 1123 109 110 MET CG C 33.020 0.000 1 1124 109 110 MET CE C 19.130 0.003 1 1125 109 110 MET N N 115.788 0.090 1 1126 110 111 THR H H 7.435 0.086 1 1127 110 111 THR HA H 4.137 0.000 1 1128 110 111 THR HB H 4.291 0.051 1 1129 110 111 THR HG2 H 1.196 0.000 1 1130 110 111 THR C C 174.421 0.001 1 1131 110 111 THR CA C 61.765 0.000 1 1132 110 111 THR CB C 68.281 0.023 1 1133 110 111 THR CG2 C 21.490 0.000 1 1134 110 111 THR N N 105.671 0.000 1 1135 111 112 ASN H H 7.211 0.009 1 1136 111 112 ASN HA H 4.430 0.013 1 1137 111 112 ASN HB2 H 2.327 0.027 1 1138 111 112 ASN HB3 H 2.470 0.042 1 1139 111 112 ASN HD21 H 6.747 0.000 1 1140 111 112 ASN HD22 H 7.510 0.000 1 1141 111 112 ASN C C 173.709 0.002 1 1142 111 112 ASN CA C 54.395 0.000 1 1143 111 112 ASN CB C 38.707 0.025 1 1144 111 112 ASN N N 117.114 0.090 1 1145 112 113 LEU H H 7.325 0.006 1 1146 112 113 LEU HA H 4.816 0.001 1 1147 112 113 LEU HB2 H 1.402 0.013 1 1148 112 113 LEU HB3 H 1.711 0.045 1 1149 112 113 LEU HG H 1.615 0.000 1 1150 112 113 LEU HD1 H 0.887 0.000 2 1151 112 113 LEU HD2 H 0.887 0.000 2 1152 112 113 LEU C C 176.697 0.000 1 1153 112 113 LEU CA C 52.658 0.003 1 1154 112 113 LEU CB C 44.384 0.004 1 1155 112 113 LEU CG C 26.790 0.000 1 1156 112 113 LEU CD1 C 23.800 0.000 1 1157 112 113 LEU CD2 C 25.140 0.000 1 1158 112 113 LEU N N 119.939 0.039 1 1159 113 114 GLY H H 8.499 0.007 1 1160 113 114 GLY HA2 H 3.684 0.000 1 1161 113 114 GLY HA3 H 3.829 0.000 1 1162 113 114 GLY C C 176.327 0.018 1 1163 113 114 GLY CA C 46.297 0.000 1 1164 113 114 GLY N N 106.677 0.014 1 1165 114 115 GLU H H 8.634 0.003 1 1166 114 115 GLU HA H 4.480 0.000 1 1167 114 115 GLU HB2 H 1.667 0.000 1 1168 114 115 GLU HB3 H 1.940 0.000 1 1169 114 115 GLU HG2 H 2.284 0.000 1 1170 114 115 GLU HG3 H 2.331 0.000 1 1171 114 115 GLU C C 175.967 0.007 1 1172 114 115 GLU CA C 55.935 0.000 1 1173 114 115 GLU CB C 29.348 0.000 1 1174 114 115 GLU CG C 35.510 0.000 1 1175 114 115 GLU N N 128.130 0.028 1 1176 115 116 LYS H H 7.040 0.026 1 1177 115 116 LYS HA H 3.752 0.000 1 1178 115 116 LYS HB2 H 1.533 0.021 1 1179 115 116 LYS HB3 H 1.402 0.000 1 1180 115 116 LYS HG2 H 0.886 0.000 1 1181 115 116 LYS HG3 H 1.001 0.000 1 1182 115 116 LYS HD2 H 1.782 0.000 1 1183 115 116 LYS HD3 H 1.661 0.000 1 1184 115 116 LYS HE2 H 2.939 0.000 1 1185 115 116 LYS C C 178.972 0.029 1 1186 115 116 LYS CA C 58.588 0.000 1 1187 115 116 LYS CB C 31.623 0.001 1 1188 115 116 LYS CG C 24.300 0.000 1 1189 115 116 LYS CD C 28.560 0.000 1 1190 115 116 LYS CE C 42.570 0.000 1 1191 115 116 LYS N N 113.922 0.101 1 1192 116 117 LEU H H 7.767 0.003 1 1193 116 117 LEU HA H 4.575 0.000 1 1194 116 117 LEU HB3 H 1.644 0.082 1 1195 116 117 LEU HG H 1.432 0.000 1 1196 116 117 LEU HD1 H 1.033 0.000 1 1197 116 117 LEU HD2 H 0.814 0.003 1 1198 116 117 LEU C C 177.286 0.001 1 1199 116 117 LEU CA C 53.209 0.000 1 1200 116 117 LEU CB C 41.987 0.006 1 1201 116 117 LEU CG C 26.800 0.000 1 1202 116 117 LEU CD1 C 24.532 0.023 1 1203 116 117 LEU CD2 C 21.200 0.000 1 1204 116 117 LEU N N 120.645 0.073 1 1205 117 118 THR H H 9.039 0.022 1 1206 117 118 THR HA H 4.133 0.010 1 1207 117 118 THR HB H 4.779 0.013 1 1208 117 118 THR HG2 H 1.231 0.000 1 1209 117 118 THR C C 175.386 0.001 1 1210 117 118 THR CA C 60.379 0.000 1 1211 117 118 THR CB C 71.402 0.000 1 1212 117 118 THR CG2 C 21.380 0.000 1 1213 117 118 THR N N 112.643 0.059 1 1214 118 119 ASP H H 8.678 0.006 1 1215 118 119 ASP HA H 4.374 0.009 1 1216 118 119 ASP HB2 H 2.457 0.000 1 1217 118 119 ASP HB3 H 2.571 0.002 1 1218 118 119 ASP C C 177.898 0.001 1 1219 118 119 ASP CA C 57.760 0.000 1 1220 118 119 ASP CB C 41.138 0.000 1 1221 118 119 ASP N N 121.205 0.051 1 1222 119 120 GLU H H 8.592 0.012 1 1223 119 120 GLU HA H 4.135 0.000 1 1224 119 120 GLU HB2 H 2.065 0.000 2 1225 119 120 GLU HB3 H 2.065 0.000 2 1226 119 120 GLU HG2 H 2.322 0.000 1 1227 119 120 GLU HG3 H 2.306 0.000 1 1228 119 120 GLU C C 179.883 0.002 1 1229 119 120 GLU CA C 59.696 0.000 1 1230 119 120 GLU CB C 28.178 0.000 1 1231 119 120 GLU CG C 36.630 0.000 1 1232 119 120 GLU N N 118.203 0.046 1 1233 120 121 GLU H H 7.939 0.007 1 1234 120 121 GLU HA H 4.160 0.000 1 1235 120 121 GLU HB3 H 1.876 0.004 1 1236 120 121 GLU HG3 H 2.578 0.061 1 1237 120 121 GLU C C 177.277 0.005 1 1238 120 121 GLU CA C 58.342 0.000 1 1239 120 121 GLU CB C 32.376 0.000 1 1240 120 121 GLU CG C 36.906 0.000 1 1241 120 121 GLU N N 122.119 0.074 1 1242 121 122 VAL H H 7.701 0.011 1 1243 121 122 VAL HA H 3.827 0.000 1 1244 121 122 VAL HB H 1.752 0.000 1 1245 121 122 VAL HG1 H 0.687 0.006 1 1246 121 122 VAL HG2 H 1.070 0.001 1 1247 121 122 VAL C C 177.405 0.006 1 1248 121 122 VAL CA C 65.980 0.000 1 1249 121 122 VAL CB C 30.730 0.000 1 1250 121 122 VAL CG1 C 21.686 0.006 1 1251 121 122 VAL CG2 C 23.770 0.000 1 1252 121 122 VAL N N 118.314 0.043 1 1253 122 123 ASP H H 8.173 0.006 1 1254 122 123 ASP HA H 4.423 0.003 1 1255 122 123 ASP HB2 H 2.167 0.000 1 1256 122 123 ASP HB3 H 2.757 0.000 1 1257 122 123 ASP C C 178.932 0.003 1 1258 122 123 ASP CA C 57.103 0.000 1 1259 122 123 ASP CB C 40.897 0.031 1 1260 122 123 ASP N N 120.265 0.080 1 1261 123 124 GLU H H 7.636 0.005 1 1262 123 124 GLU HA H 4.237 0.000 1 1263 123 124 GLU HB2 H 2.167 0.000 1 1264 123 124 GLU HG2 H 2.471 0.000 1 1265 123 124 GLU HG3 H 2.445 0.001 1 1266 123 124 GLU C C 176.942 0.000 1 1267 123 124 GLU CA C 60.082 0.000 1 1268 123 124 GLU CB C 30.208 0.000 1 1269 123 124 GLU CG C 33.140 0.000 1 1270 123 124 GLU N N 121.070 0.087 1 1271 124 125 MET H H 7.912 0.011 1 1272 124 125 MET HA H 3.837 0.002 1 1273 124 125 MET HB2 H 1.677 0.006 1 1274 124 125 MET HB3 H 2.005 0.000 1 1275 124 125 MET HG2 H 1.893 0.000 1 1276 124 125 MET HG3 H 1.822 0.000 1 1277 124 125 MET HE H 1.667 0.015 1 1278 124 125 MET C C 177.404 0.005 1 1279 124 125 MET CA C 58.823 0.000 1 1280 124 125 MET CB C 33.070 0.054 1 1281 124 125 MET CG C 32.510 0.000 1 1282 124 125 MET CE C 18.392 0.002 1 1283 124 125 MET N N 122.344 0.028 1 1284 125 126 ILE H H 8.165 0.006 1 1285 125 126 ILE HA H 3.446 0.021 1 1286 125 126 ILE HB H 2.004 0.004 1 1287 125 126 ILE HG12 H 1.594 0.000 1 1288 125 126 ILE HG13 H 1.457 0.000 1 1289 125 126 ILE HG2 H 0.944 0.000 1 1290 125 126 ILE HD1 H 0.653 0.009 1 1291 125 126 ILE C C 177.652 0.000 1 1292 125 126 ILE CA C 63.742 0.000 1 1293 125 126 ILE CB C 35.618 0.007 1 1294 125 126 ILE CG1 C 28.150 0.000 1 1295 125 126 ILE CG2 C 17.128 0.004 1 1296 125 126 ILE CD1 C 12.192 0.002 1 1297 125 126 ILE N N 117.390 0.092 1 1298 126 127 ARG H H 7.712 0.008 1 1299 126 127 ARG HA H 4.116 0.000 1 1300 126 127 ARG HB2 H 1.989 0.000 1 1301 126 127 ARG HB3 H 2.016 0.000 1 1302 126 127 ARG HG2 H 1.646 0.000 1 1303 126 127 ARG HG3 H 1.796 0.000 1 1304 126 127 ARG HD2 H 3.143 0.000 1 1305 126 127 ARG HD3 H 3.239 0.000 1 1306 126 127 ARG HE H 7.407 0.000 1 1307 126 127 ARG C C 175.736 0.029 1 1308 126 127 ARG CA C 58.745 0.000 1 1309 126 127 ARG CB C 30.775 0.000 1 1310 126 127 ARG CG C 27.510 0.000 1 1311 126 127 ARG CD C 42.330 0.000 1 1312 126 127 ARG N N 120.156 0.039 1 1313 127 128 GLU H H 7.975 0.007 1 1314 127 128 GLU HA H 4.215 0.000 1 1315 127 128 GLU HB2 H 2.399 0.059 1 1316 127 128 GLU HB3 H 2.314 0.000 1 1317 127 128 GLU HG2 H 2.476 0.015 1 1318 127 128 GLU HG3 H 2.831 0.038 1 1319 127 128 GLU C C 176.811 0.001 1 1320 127 128 GLU CA C 57.178 0.000 1 1321 127 128 GLU CB C 30.577 0.003 1 1322 127 128 GLU CG C 33.876 0.119 1 1323 127 128 GLU N N 120.167 0.068 1 1324 128 129 ALA H H 7.059 0.006 1 1325 128 129 ALA HA H 3.798 0.009 1 1326 128 129 ALA HB H 0.912 0.010 1 1327 128 129 ALA C C 177.402 0.011 1 1328 128 129 ALA CA C 52.244 0.000 1 1329 128 129 ALA CB C 19.852 0.003 1 1330 128 129 ALA N N 119.099 0.064 1 1331 129 130 ASP H H 7.895 0.007 1 1332 129 130 ASP HA H 4.551 0.000 1 1333 129 130 ASP HB2 H 2.472 0.186 1 1334 129 130 ASP HB3 H 3.104 0.000 1 1335 129 130 ASP C C 172.229 0.025 1 1336 129 130 ASP CA C 53.524 0.000 1 1337 129 130 ASP CB C 40.069 0.000 1 1338 129 130 ASP N N 118.061 0.066 1 1339 130 131 ILE H H 7.631 0.018 1 1340 130 131 ILE HA H 4.521 0.026 1 1341 130 131 ILE HB H 1.736 0.000 1 1342 130 131 ILE HG12 H 1.090 0.005 1 1343 130 131 ILE HG13 H 1.413 0.000 1 1344 130 131 ILE HG2 H 1.065 0.024 1 1345 130 131 ILE HD1 H 0.914 0.021 1 1346 130 131 ILE C C 174.513 0.011 1 1347 130 131 ILE CA C 59.893 0.002 1 1348 130 131 ILE CB C 39.265 0.000 1 1349 130 131 ILE CG1 C 26.588 0.069 1 1350 130 131 ILE CG2 C 16.561 0.001 1 1351 130 131 ILE CD1 C 13.268 0.004 1 1352 130 131 ILE N N 121.176 0.124 1 1353 131 132 ASP H H 8.045 0.010 1 1354 131 132 ASP HA H 4.562 0.002 1 1355 131 132 ASP HB2 H 2.889 0.001 1 1356 131 132 ASP HB3 H 2.562 0.001 1 1357 131 132 ASP C C 177.314 0.000 1 1358 131 132 ASP CA C 52.963 0.000 1 1359 131 132 ASP CB C 42.005 0.000 1 1360 131 132 ASP N N 116.069 0.033 1 1361 132 133 GLY H H 7.370 0.013 1 1362 132 133 GLY HA2 H 3.840 0.000 1 1363 132 133 GLY HA3 H 3.702 0.010 1 1364 132 133 GLY C C 174.218 0.002 1 1365 132 133 GLY CA C 45.901 0.188 1 1366 132 133 GLY N N 108.908 0.055 1 1367 133 134 ASP H H 8.073 0.008 1 1368 133 134 ASP HA H 4.758 0.000 1 1369 133 134 ASP HB2 H 2.550 0.000 1 1370 133 134 ASP HB3 H 2.829 0.000 1 1371 133 134 ASP C C 176.467 0.000 1 1372 133 134 ASP CA C 53.333 0.000 1 1373 133 134 ASP CB C 41.625 0.000 1 1374 133 134 ASP N N 120.182 0.069 1 1375 134 135 GLY HA2 H 3.827 0.000 1 1376 134 135 GLY HA3 H 4.005 0.000 1 1377 134 135 GLY C C 172.539 0.007 1 1378 134 135 GLY CA C 45.571 0.000 1 1379 135 136 GLN H H 8.178 0.136 1 1380 135 136 GLN HA H 5.023 0.018 1 1381 135 136 GLN HB2 H 1.813 0.000 1 1382 135 136 GLN HB3 H 1.957 0.001 1 1383 135 136 GLN HG2 H 2.118 0.000 2 1384 135 136 GLN HG3 H 2.118 0.000 2 1385 135 136 GLN HE21 H 7.152 0.339 1 1386 135 136 GLN C C 173.974 0.001 1 1387 135 136 GLN CA C 53.419 0.004 1 1388 135 136 GLN CB C 31.281 0.000 1 1389 135 136 GLN CG C 33.700 0.000 1 1390 135 136 GLN N N 119.362 0.070 1 1391 136 137 VAL H H 9.201 0.007 1 1392 136 137 VAL HA H 4.808 0.045 1 1393 136 137 VAL HB H 2.144 0.007 1 1394 136 137 VAL HG1 H 0.678 0.048 1 1395 136 137 VAL HG2 H 0.638 0.035 1 1396 136 137 VAL C C 175.871 0.013 1 1397 136 137 VAL CA C 60.528 0.002 1 1398 136 137 VAL CB C 34.257 0.000 1 1399 136 137 VAL CG1 C 20.552 0.002 1 1400 136 137 VAL CG2 C 20.784 0.003 1 1401 136 137 VAL N N 126.001 0.060 1 1402 137 138 ASN H H 9.616 0.015 1 1403 137 138 ASN HA H 5.536 0.015 1 1404 137 138 ASN HB2 H 3.368 0.007 1 1405 137 138 ASN HB3 H 3.355 0.006 1 1406 137 138 ASN HD21 H 6.848 0.000 1 1407 137 138 ASN HD22 H 7.067 0.000 1 1408 137 138 ASN C C 175.813 0.003 1 1409 137 138 ASN CA C 51.224 0.000 1 1410 137 138 ASN CB C 37.287 0.000 1 1411 137 138 ASN N N 128.581 0.094 1 1412 138 139 TYR H H 8.485 0.008 1 1413 138 139 TYR HA H 3.482 0.180 1 1414 138 139 TYR HB2 H 1.914 0.000 1 1415 138 139 TYR HB3 H 2.174 0.000 1 1416 138 139 TYR HD1 H 6.586 0.001 1 1417 138 139 TYR HD2 H 6.586 0.001 1 1418 138 139 TYR HE1 H 6.934 0.001 1 1419 138 139 TYR HE2 H 6.934 0.001 1 1420 138 139 TYR C C 175.454 0.006 1 1421 138 139 TYR CA C 61.644 0.019 1 1422 138 139 TYR CB C 37.345 0.000 1 1423 138 139 TYR N N 119.255 0.047 1 1424 139 140 GLU H H 7.780 0.008 1 1425 139 140 GLU HA H 4.063 0.007 1 1426 139 140 GLU HB2 H 1.951 0.000 1 1427 139 140 GLU HB3 H 1.950 0.000 1 1428 139 140 GLU HG2 H 2.186 0.000 2 1429 139 140 GLU HG3 H 2.186 0.000 2 1430 139 140 GLU C C 178.591 0.001 1 1431 139 140 GLU CA C 59.377 0.000 1 1432 139 140 GLU CB C 28.471 0.000 1 1433 139 140 GLU CG C 35.610 0.000 1 1434 139 140 GLU N N 119.116 0.014 1 1435 140 141 GLU H H 8.495 0.008 1 1436 140 141 GLU HA H 3.937 0.004 1 1437 140 141 GLU HB3 H 2.035 0.002 1 1438 140 141 GLU HG3 H 2.301 0.000 1 1439 140 141 GLU C C 179.005 0.000 1 1440 140 141 GLU CA C 58.603 0.000 1 1441 140 141 GLU CB C 29.333 0.000 1 1442 140 141 GLU CG C 36.320 0.000 1 1443 140 141 GLU N N 120.460 0.048 1 1444 141 142 PHE H H 8.191 0.011 1 1445 141 142 PHE HA H 4.661 0.004 1 1446 141 142 PHE HB2 H 2.970 0.000 1 1447 141 142 PHE HB3 H 3.229 0.000 1 1448 141 142 PHE HD1 H 7.185 0.001 1 1449 141 142 PHE HD2 H 7.185 0.001 1 1450 141 142 PHE HE1 H 7.101 0.000 1 1451 141 142 PHE HE2 H 7.101 0.000 1 1452 141 142 PHE HZ H 7.046 0.000 1 1453 141 142 PHE C C 178.473 0.016 1 1454 141 142 PHE CA C 60.231 0.006 1 1455 141 142 PHE CB C 40.086 0.000 1 1456 141 142 PHE N N 123.427 0.122 1 1457 142 143 VAL H H 8.310 0.007 1 1458 142 143 VAL HA H 3.194 0.041 1 1459 142 143 VAL HB H 2.350 0.003 1 1460 142 143 VAL HG1 H 0.926 0.000 1 1461 142 143 VAL HG2 H 1.198 0.003 1 1462 142 143 VAL C C 177.912 0.004 1 1463 142 143 VAL CA C 66.583 0.001 1 1464 142 143 VAL CB C 31.785 0.000 1 1465 142 143 VAL CG1 C 22.780 0.000 1 1466 142 143 VAL CG2 C 24.510 0.000 1 1467 142 143 VAL N N 119.125 0.055 1 1468 143 144 GLN H H 7.518 0.006 1 1469 143 144 GLN HA H 3.990 0.000 1 1470 143 144 GLN HB2 H 2.085 0.000 1 1471 143 144 GLN HB3 H 1.925 0.000 1 1472 143 144 GLN HG2 H 2.430 0.000 1 1473 143 144 GLN HG3 H 2.421 0.000 1 1474 143 144 GLN HE21 H 6.800 0.000 1 1475 143 144 GLN HE22 H 7.277 0.000 1 1476 143 144 GLN C C 177.670 0.004 1 1477 143 144 GLN CA C 58.396 0.000 1 1478 143 144 GLN CB C 28.000 0.000 1 1479 143 144 GLN CG C 34.090 0.000 1 1480 143 144 GLN N N 119.741 0.066 1 1481 144 145 MET H H 7.740 0.008 1 1482 144 145 MET HA H 4.104 0.000 1 1483 144 145 MET HB2 H 2.251 0.000 1 1484 144 145 MET HB3 H 2.211 0.000 1 1485 144 145 MET HG2 H 2.679 0.009 1 1486 144 145 MET HG3 H 2.431 0.000 1 1487 144 145 MET HE H 2.009 0.042 1 1488 144 145 MET C C 178.231 0.001 1 1489 144 145 MET CA C 58.742 0.000 1 1490 144 145 MET CB C 32.246 0.000 1 1491 144 145 MET CG C 30.801 0.000 1 1492 144 145 MET CE C 17.473 0.000 1 1493 144 145 MET N N 119.828 0.061 1 1494 145 146 MET H H 7.911 0.006 1 1495 145 146 MET HA H 3.985 0.000 1 1496 145 146 MET HB2 H 1.752 0.024 1 1497 145 146 MET HB3 H 1.953 0.021 1 1498 145 146 MET HG2 H 2.211 0.000 1 1499 145 146 MET HG3 H 2.206 0.004 1 1500 145 146 MET HE H 1.815 0.020 1 1501 145 146 MET C C 176.886 0.000 1 1502 145 146 MET CA C 58.632 0.000 1 1503 145 146 MET CB C 33.595 0.010 1 1504 145 146 MET CG C 31.490 0.000 1 1505 145 146 MET CE C 17.247 0.001 1 1506 145 146 MET N N 115.533 0.083 1 1507 146 147 THR H H 7.652 0.005 1 1508 146 147 THR HA H 4.379 0.001 1 1509 146 147 THR HB H 4.184 0.033 1 1510 146 147 THR HG2 H 1.037 0.000 1 1511 146 147 THR C C 174.435 0.003 1 1512 146 147 THR CA C 62.026 0.000 1 1513 146 147 THR CB C 69.874 0.001 1 1514 146 147 THR CG2 C 19.590 0.000 1 1515 146 147 THR N N 105.617 0.097 1 1516 147 148 ALA H H 7.405 0.009 1 1517 147 148 ALA HA H 4.370 0.014 1 1518 147 148 ALA HB H 1.511 0.000 1 1519 147 148 ALA C C 177.130 0.001 1 1520 147 148 ALA CA C 53.035 0.000 1 1521 147 148 ALA CB C 20.240 0.000 1 1522 147 148 ALA N N 124.343 0.098 1 1523 148 149 LYS H H 7.423 0.009 1 1524 148 149 LYS HA H 4.290 0.000 1 1525 148 149 LYS HB2 H 1.781 0.000 1 1526 148 149 LYS HB3 H 1.816 0.000 1 1527 148 149 LYS HG2 H 1.484 0.000 1 1528 148 149 LYS HG3 H 1.414 0.000 1 1529 148 149 LYS HD2 H 1.503 0.000 1 1530 148 149 LYS HD3 H 1.702 0.000 1 1531 148 149 LYS C C 180.379 0.000 1 1532 148 149 LYS CA C 57.004 0.000 1 1533 148 149 LYS CB C 34.232 0.000 1 1534 148 149 LYS N N 123.636 0.072 1 stop_ save_