data_36013 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the complex between DP1 acidic region and TFIIH p62 PH domain ; _BMRB_accession_number 36013 _BMRB_flat_file_name bmr36013.str _Entry_type original _Submission_date 2016-07-29 _Accession_date 2016-11-02 _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 Okuda M. . . 2 Nishimura Y. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 723 "13C chemical shifts" 557 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-01 original BMRB . stop_ _Original_release_date 2016-11-02 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Interaction Mode of the Acidic Region of the Cell Cycle Transcription Factor DP1 with TFIIH ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27825926 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Okuda M. . . 2 Araki K. . . 3 Ohtani K. . . 4 Nishimura Y. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 428 _Journal_issue 24 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4993 _Page_last 5006 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DP1, General transcription factor IIH subunit 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 2279.022 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 19 _Mol_residue_sequence ; YVGEDDEEDDDFNENDEDD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 392 TYR 2 393 VAL 3 394 GLY 4 395 GLU 5 396 ASP 6 397 ASP 7 398 GLU 8 399 GLU 9 400 ASP 10 401 ASP 11 402 ASP 12 403 PHE 13 404 ASN 14 405 GLU 15 406 ASN 16 407 ASP 17 408 GLU 18 409 ASP 19 410 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 12450.445 _Mol_thiol_state 'all free' _Details . _Residue_count 110 _Mol_residue_sequence ; GSMATSSEEVLLIVKKVRQK KQDGALYLMAERIAWAPEGK DRFTISHMYADIKCQKISPE GKAKIQLQLVLHAGDTTNFH FSNESTAVKERDAVKDLLQQ LLPKFKRKAN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 1 MET 4 2 ALA 5 3 THR 6 4 SER 7 5 SER 8 6 GLU 9 7 GLU 10 8 VAL 11 9 LEU 12 10 LEU 13 11 ILE 14 12 VAL 15 13 LYS 16 14 LYS 17 15 VAL 18 16 ARG 19 17 GLN 20 18 LYS 21 19 LYS 22 20 GLN 23 21 ASP 24 22 GLY 25 23 ALA 26 24 LEU 27 25 TYR 28 26 LEU 29 27 MET 30 28 ALA 31 29 GLU 32 30 ARG 33 31 ILE 34 32 ALA 35 33 TRP 36 34 ALA 37 35 PRO 38 36 GLU 39 37 GLY 40 38 LYS 41 39 ASP 42 40 ARG 43 41 PHE 44 42 THR 45 43 ILE 46 44 SER 47 45 HIS 48 46 MET 49 47 TYR 50 48 ALA 51 49 ASP 52 50 ILE 53 51 LYS 54 52 CYS 55 53 GLN 56 54 LYS 57 55 ILE 58 56 SER 59 57 PRO 60 58 GLU 61 59 GLY 62 60 LYS 63 61 ALA 64 62 LYS 65 63 ILE 66 64 GLN 67 65 LEU 68 66 GLN 69 67 LEU 70 68 VAL 71 69 LEU 72 70 HIS 73 71 ALA 74 72 GLY 75 73 ASP 76 74 THR 77 75 THR 78 76 ASN 79 77 PHE 80 78 HIS 81 79 PHE 82 80 SER 83 81 ASN 84 82 GLU 85 83 SER 86 84 THR 87 85 ALA 88 86 VAL 89 87 LYS 90 88 GLU 91 89 ARG 92 90 ASP 93 91 ALA 94 92 VAL 95 93 LYS 96 94 ASP 97 95 LEU 98 96 LEU 99 97 GLN 100 98 GLN 101 99 LEU 102 100 LEU 103 101 PRO 104 102 LYS 105 103 PHE 106 104 LYS 107 105 ARG 108 106 LYS 109 107 ALA 110 108 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens . $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens 'GTF2H1, BTF2' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'chemical synthesis' . . . . . $entity_2 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.35 mM [U-99% 13C; U-99% 15N] DP1, 0.42 mM TFIIH p62, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.35 mM '[U-99% 13C; U-99% 15N]' $entity_2 0.42 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.35 mM [U-99% 13C; U-99% 15N] DP1, 0.42 mM TFIIH p62, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.35 mM '[U-99% 13C; U-99% 15N]' $entity_2 0.42 mM 'natural abundance' D2O 100 % [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.35 mM [U-99% 13C; U-99% 15N] TFIIH p62, 0.42 mM DP1, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.42 mM 'natural abundance' $entity_2 0.35 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '0.35 mM [U-99% 13C; U-99% 15N] TFIIH p62, 0.42 mM DP1, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.42 mM 'natural abundance' $entity_2 0.35 mM '[U-99% 13C; U-99% 15N]' D2O 100 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 950 _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_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_4 save_ save_3D_CBCA(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_C(CO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 6.8 . pH pressure 1 . atm temperature 305 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCO' '3D HBHA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 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 1 392 1 TYR HA H 4.2540 0.0000 1 2 392 1 TYR HB2 H 3.1390 0.0000 2 3 392 1 TYR HB3 H 3.1050 0.0000 2 4 392 1 TYR HD1 H 7.1310 0.0000 3 5 392 1 TYR HE1 H 6.8380 0.0000 3 6 392 1 TYR CA C 57.0430 0.0000 1 7 392 1 TYR CB C 38.7060 0.0000 1 8 392 1 TYR CD1 C 134.0560 0.0000 3 9 392 1 TYR CE1 C 118.7760 0.0000 3 10 393 2 VAL HA H 4.0560 0.0000 1 11 393 2 VAL HB H 2.0280 0.0000 1 12 393 2 VAL HG1 H 0.9420 0.0000 2 13 393 2 VAL HG2 H 0.9200 0.0000 2 14 393 2 VAL C C 175.7640 0.0000 1 15 393 2 VAL CA C 63.1550 0.0000 1 16 393 2 VAL CB C 32.5940 0.0000 1 17 393 2 VAL CG1 C 23.0110 0.0000 2 18 393 2 VAL CG2 C 23.0110 0.0000 2 19 394 3 GLY H H 8.3820 0.0000 1 20 394 3 GLY HA2 H 4.0700 0.0000 2 21 394 3 GLY HA3 H 3.9240 0.0000 2 22 394 3 GLY C C 174.2290 0.0000 1 23 394 3 GLY CA C 44.8180 0.0000 1 24 394 3 GLY N N 114.6530 0.0000 1 25 395 4 GLU H H 8.1640 0.0000 1 26 395 4 GLU HA H 4.2200 0.0000 1 27 395 4 GLU HB2 H 1.9710 0.0000 2 28 395 4 GLU HB3 H 1.7490 0.0000 2 29 395 4 GLU HG2 H 2.1950 0.0000 2 30 395 4 GLU C C 176.3520 0.0000 1 31 395 4 GLU CA C 57.0430 0.0000 1 32 395 4 GLU CB C 30.1490 0.0000 1 33 395 4 GLU CG C 36.2610 0.0000 1 34 395 4 GLU N N 121.6780 0.0000 1 35 396 5 ASP H H 8.3680 0.0000 1 36 396 5 ASP HA H 4.5940 0.0000 1 37 396 5 ASP HB2 H 2.6870 0.0000 2 38 396 5 ASP HB3 H 2.5970 0.0000 2 39 396 5 ASP C C 175.7780 0.0000 1 40 396 5 ASP CA C 54.5980 0.0000 1 41 396 5 ASP CB C 41.1510 0.0000 1 42 396 5 ASP N N 121.2040 0.0000 1 43 397 6 ASP H H 8.1130 0.0000 1 44 397 6 ASP HA H 4.5550 0.0000 1 45 397 6 ASP HB2 H 2.6330 0.0000 2 46 397 6 ASP C C 176.1280 0.0000 1 47 397 6 ASP CA C 54.5980 0.0000 1 48 397 6 ASP CB C 41.1510 0.0000 1 49 397 6 ASP N N 121.3490 0.0000 1 50 398 7 GLU H H 8.2340 0.0000 1 51 398 7 GLU HA H 4.2500 0.0000 1 52 398 7 GLU HB2 H 2.0440 0.0000 2 53 398 7 GLU HB3 H 1.9150 0.0000 2 54 398 7 GLU HG2 H 2.2470 0.0000 2 55 398 7 GLU C C 176.4390 0.0000 1 56 398 7 GLU CA C 56.5470 0.0000 1 57 398 7 GLU CB C 30.1490 0.0000 1 58 398 7 GLU CG C 36.2610 0.0000 1 59 398 7 GLU N N 121.8650 0.0000 1 60 399 8 GLU H H 8.3520 0.0000 1 61 399 8 GLU HA H 4.2700 0.0000 1 62 399 8 GLU HB2 H 2.0440 0.0000 2 63 399 8 GLU HB3 H 1.9150 0.0000 2 64 399 8 GLU HG2 H 2.2370 0.0000 2 65 399 8 GLU C C 176.0860 0.0000 1 66 399 8 GLU CA C 56.4310 0.0000 1 67 399 8 GLU CB C 30.1490 0.0000 1 68 399 8 GLU CG C 36.2610 0.0000 1 69 399 8 GLU N N 122.8760 0.0000 1 70 400 9 ASP H H 8.3200 0.0000 1 71 400 9 ASP HA H 4.5900 0.0000 1 72 400 9 ASP HB2 H 2.6780 0.0000 2 73 400 9 ASP HB3 H 2.6050 0.0000 2 74 400 9 ASP C C 175.8380 0.0000 1 75 400 9 ASP CA C 54.5980 0.0000 1 76 400 9 ASP CB C 41.1510 0.0000 1 77 400 9 ASP N N 122.9340 0.0000 1 78 401 10 ASP H H 8.2700 0.0000 1 79 401 10 ASP HA H 4.5960 0.0000 1 80 401 10 ASP HB2 H 2.6320 0.0000 2 81 401 10 ASP HB3 H 2.5740 0.0000 2 82 401 10 ASP C C 175.8070 0.0000 1 83 401 10 ASP CA C 53.9870 0.0000 1 84 401 10 ASP CB C 41.1510 0.0000 1 85 401 10 ASP N N 122.3750 0.0000 1 86 402 11 ASP H H 8.1100 0.0000 1 87 402 11 ASP HA H 4.5390 0.0000 1 88 402 11 ASP HB2 H 2.5010 0.0000 2 89 402 11 ASP HB3 H 2.4570 0.0000 2 90 402 11 ASP C C 175.5630 0.0000 1 91 402 11 ASP CA C 54.5980 0.0000 1 92 402 11 ASP CB C 41.1510 0.0000 1 93 402 11 ASP N N 121.8270 0.0000 1 94 403 12 PHE H H 8.1740 0.0000 1 95 403 12 PHE HA H 4.4050 0.0000 1 96 403 12 PHE HB2 H 3.0020 0.0000 1 97 403 12 PHE HB3 H 2.8650 0.0000 1 98 403 12 PHE HD1 H 7.0200 0.0000 3 99 403 12 PHE HE1 H 7.0500 0.0000 3 100 403 12 PHE HZ H 6.9390 0.0000 1 101 403 12 PHE C C 175.0210 0.0000 1 102 403 12 PHE CA C 57.6540 0.0000 1 103 403 12 PHE CB C 39.9290 0.0000 1 104 403 12 PHE CD1 C 132.2230 0.0000 3 105 403 12 PHE CE1 C 131.0000 0.0000 3 106 403 12 PHE CZ C 129.1660 0.0000 1 107 403 12 PHE N N 121.1080 0.0000 1 108 404 13 ASN H H 8.2760 0.0000 1 109 404 13 ASN HA H 4.6650 0.0000 1 110 404 13 ASN HB2 H 2.7690 0.0000 2 111 404 13 ASN HB3 H 2.6810 0.0000 2 112 404 13 ASN HD21 H 7.5360 0.0000 2 113 404 13 ASN HD22 H 6.8800 0.0000 2 114 404 13 ASN C C 174.8860 0.0000 1 115 404 13 ASN CA C 52.7640 0.0000 1 116 404 13 ASN CB C 39.3170 0.0000 1 117 404 13 ASN N N 122.4760 0.0000 1 118 404 13 ASN ND2 N 113.9670 0.0000 1 119 405 14 GLU H H 8.4570 0.0000 1 120 405 14 GLU HA H 4.2350 0.0000 1 121 405 14 GLU HB2 H 2.0440 0.0000 2 122 405 14 GLU HB3 H 1.9150 0.0000 2 123 405 14 GLU HG2 H 2.2570 0.0000 2 124 405 14 GLU C C 175.9690 0.0000 1 125 405 14 GLU CA C 56.4310 0.0000 1 126 405 14 GLU CB C 30.1490 0.0000 1 127 405 14 GLU CG C 36.2610 0.0000 1 128 405 14 GLU N N 123.3490 0.0000 1 129 406 15 ASN H H 8.4570 0.0000 1 130 406 15 ASN HA H 4.7080 0.0000 1 131 406 15 ASN HB2 H 2.8260 0.0000 2 132 406 15 ASN HB3 H 2.7180 0.0000 2 133 406 15 ASN HD21 H 7.5580 0.0000 2 134 406 15 ASN HD22 H 6.9150 0.0000 2 135 406 15 ASN C C 174.8300 0.0000 1 136 406 15 ASN CA C 53.3750 0.0000 1 137 406 15 ASN CB C 39.3170 0.0000 1 138 406 15 ASN N N 120.9120 0.0000 1 139 406 15 ASN ND2 N 114.3150 0.0000 1 140 407 16 ASP H H 8.3520 0.0000 1 141 407 16 ASP HA H 4.5810 0.0000 1 142 407 16 ASP HB2 H 2.6370 0.0000 2 143 407 16 ASP C C 176.1780 0.0000 1 144 407 16 ASP CA C 54.5980 0.0000 1 145 407 16 ASP CB C 41.1510 0.0000 1 146 407 16 ASP N N 122.7820 0.0000 1 147 408 17 GLU H H 8.2640 0.0000 1 148 408 17 GLU HA H 4.2780 0.0000 1 149 408 17 GLU HB2 H 2.0780 0.0000 2 150 408 17 GLU HB3 H 1.9390 0.0000 2 151 408 17 GLU HG2 H 2.2670 0.0000 2 152 408 17 GLU C C 176.1130 0.0000 1 153 408 17 GLU CA C 56.5720 0.0000 1 154 408 17 GLU CB C 30.1490 0.0000 1 155 408 17 GLU CG C 36.2610 0.0000 1 156 408 17 GLU N N 121.5760 0.0000 1 157 409 18 ASP H H 8.2750 0.0000 1 158 409 18 ASP HA H 4.6350 0.0000 1 159 409 18 ASP HB2 H 2.7400 0.0000 2 160 409 18 ASP HB3 H 2.5560 0.0000 2 161 409 18 ASP C C 175.0910 0.0000 1 162 409 18 ASP CA C 54.5980 0.0000 1 163 409 18 ASP CB C 41.1510 0.0000 1 164 409 18 ASP N N 122.6270 0.0000 1 165 410 19 ASP H H 7.8670 0.0000 1 166 410 19 ASP HA H 4.3570 0.0000 1 167 410 19 ASP HB2 H 2.6330 0.0000 2 168 410 19 ASP HB3 H 2.5570 0.0000 2 169 410 19 ASP C C 180.8960 0.0000 1 170 410 19 ASP CA C 55.8200 0.0000 1 171 410 19 ASP CB C 42.3740 0.0000 1 172 410 19 ASP N N 126.9770 0.0000 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCO' '3D HBHA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_3 $sample_4 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 3 MET HA H 4.3700 0.0000 1 2 1 3 MET HB2 H 1.8730 0.0000 2 3 1 3 MET HB3 H 1.8320 0.0000 2 4 1 3 MET HG2 H 2.3550 0.0000 2 5 1 3 MET HG3 H 2.3030 0.0000 2 6 1 3 MET C C 175.9150 0.0000 1 7 1 3 MET CA C 55.3760 0.0000 1 8 1 3 MET CB C 32.1500 0.0000 1 9 1 3 MET CG C 32.1500 0.0000 1 10 2 4 ALA H H 8.2250 0.0000 1 11 2 4 ALA HA H 4.3560 0.0000 1 12 2 4 ALA HB H 1.3590 0.0000 1 13 2 4 ALA C C 177.8260 0.0000 1 14 2 4 ALA CA C 52.3200 0.0000 1 15 2 4 ALA CB C 19.3140 0.0000 1 16 2 4 ALA N N 125.9870 0.0000 1 17 3 5 THR H H 8.1130 0.0000 1 18 3 5 THR HA H 4.3500 0.0000 1 19 3 5 THR HB H 4.3150 0.0000 1 20 3 5 THR HG2 H 1.1510 0.0000 1 21 3 5 THR C C 174.8030 0.0000 1 22 3 5 THR CA C 61.4880 0.0000 1 23 3 5 THR CB C 69.4350 0.0000 1 24 3 5 THR CG2 C 21.7590 0.0000 1 25 3 5 THR N N 113.6640 0.0000 1 26 4 6 SER H H 8.2630 0.0000 1 27 4 6 SER HA H 4.5070 0.0000 1 28 4 6 SER HB2 H 3.8610 0.0000 2 29 4 6 SER HB3 H 3.8380 0.0000 2 30 4 6 SER C C 174.7140 0.0000 1 31 4 6 SER CA C 58.4320 0.0000 1 32 4 6 SER CB C 63.9340 0.0000 1 33 4 6 SER N N 118.3170 0.0000 1 34 5 7 SER H H 8.3410 0.0000 1 35 5 7 SER HA H 4.4830 0.0000 1 36 5 7 SER HB2 H 3.9560 0.0000 2 37 5 7 SER HB3 H 3.8910 0.0000 2 38 5 7 SER C C 173.9180 0.0000 1 39 5 7 SER CA C 58.4320 0.0000 1 40 5 7 SER CB C 63.3220 0.0000 1 41 5 7 SER N N 118.2310 0.0000 1 42 6 8 GLU H H 8.0310 0.0000 1 43 6 8 GLU HA H 4.2990 0.0000 1 44 6 8 GLU HB2 H 2.0130 0.0000 2 45 6 8 GLU HB3 H 1.9200 0.0000 2 46 6 8 GLU HG2 H 2.2940 0.0000 2 47 6 8 GLU C C 175.3860 0.0000 1 48 6 8 GLU CA C 56.5990 0.0000 1 49 6 8 GLU CB C 30.9280 0.0000 1 50 6 8 GLU CG C 36.4290 0.0000 1 51 6 8 GLU N N 124.9270 0.0000 1 52 7 9 GLU H H 8.5640 0.0000 1 53 7 9 GLU HA H 4.2020 0.0000 1 54 7 9 GLU HB2 H 2.0120 0.0000 2 55 7 9 GLU HG2 H 2.2980 0.0000 2 56 7 9 GLU HG3 H 2.1330 0.0000 2 57 7 9 GLU C C 175.0260 0.0000 1 58 7 9 GLU CA C 57.2100 0.0000 1 59 7 9 GLU CB C 30.3170 0.0000 1 60 7 9 GLU CG C 35.8170 0.0000 1 61 7 9 GLU N N 126.9540 0.0000 1 62 8 10 VAL H H 8.4060 0.0000 1 63 8 10 VAL HA H 4.2660 0.0000 1 64 8 10 VAL HB H 2.1000 0.0000 1 65 8 10 VAL HG1 H 0.9490 0.0000 1 66 8 10 VAL HG2 H 1.1380 0.0000 1 67 8 10 VAL C C 176.1330 0.0000 1 68 8 10 VAL CA C 62.1000 0.0000 1 69 8 10 VAL CB C 33.3730 0.0000 1 70 8 10 VAL CG1 C 22.3700 0.0000 1 71 8 10 VAL CG2 C 21.7590 0.0000 1 72 8 10 VAL N N 125.9860 0.0000 1 73 9 11 LEU H H 9.5240 0.0000 1 74 9 11 LEU HA H 4.3990 0.0000 1 75 9 11 LEU HB2 H 1.4780 0.0000 1 76 9 11 LEU HB3 H 1.5660 0.0000 1 77 9 11 LEU HG H 1.4750 0.0000 1 78 9 11 LEU HD1 H 0.9020 0.0000 1 79 9 11 LEU HD2 H 0.8270 0.0000 1 80 9 11 LEU C C 177.4390 0.0000 1 81 9 11 LEU CA C 55.9870 0.0000 1 82 9 11 LEU CB C 42.5410 0.0000 1 83 9 11 LEU CG C 27.8720 0.0000 1 84 9 11 LEU CD1 C 26.6490 0.0000 1 85 9 11 LEU CD2 C 22.3700 0.0000 1 86 9 11 LEU N N 129.1760 0.0000 1 87 10 12 LEU H H 7.6630 0.0000 1 88 10 12 LEU HA H 4.4350 0.0000 1 89 10 12 LEU HB2 H 1.5710 0.0000 1 90 10 12 LEU HB3 H 1.5110 0.0000 1 91 10 12 LEU HG H 1.3940 0.0000 1 92 10 12 LEU HD1 H 0.9860 0.0000 1 93 10 12 LEU HD2 H 0.7810 0.0000 1 94 10 12 LEU C C 173.0820 0.0000 1 95 10 12 LEU CA C 55.3760 0.0000 1 96 10 12 LEU CB C 46.2080 0.0000 1 97 10 12 LEU CG C 27.2600 0.0000 1 98 10 12 LEU CD1 C 22.9820 0.0000 1 99 10 12 LEU CD2 C 26.6490 0.0000 1 100 10 12 LEU N N 120.4960 0.0000 1 101 11 13 ILE H H 8.0480 0.0000 1 102 11 13 ILE HA H 4.7950 0.0000 1 103 11 13 ILE HB H 1.3020 0.0000 1 104 11 13 ILE HG12 H 1.2450 0.0000 2 105 11 13 ILE HG13 H 0.1760 0.0000 2 106 11 13 ILE HG2 H 0.2390 0.0000 1 107 11 13 ILE HD1 H 0.7170 0.0000 1 108 11 13 ILE C C 175.9120 0.0000 1 109 11 13 ILE CA C 60.2660 0.0000 1 110 11 13 ILE CB C 40.7070 0.0000 1 111 11 13 ILE CG1 C 27.2600 0.0000 1 112 11 13 ILE CG2 C 16.2580 0.0000 1 113 11 13 ILE CD1 C 14.4250 0.0000 1 114 11 13 ILE N N 126.3570 0.0000 1 115 12 14 VAL H H 9.2270 0.0000 1 116 12 14 VAL HA H 4.3260 0.0000 1 117 12 14 VAL HB H 1.8860 0.0000 1 118 12 14 VAL HG1 H 1.1400 0.0000 1 119 12 14 VAL HG2 H 0.8540 0.0000 1 120 12 14 VAL C C 174.9750 0.0000 1 121 12 14 VAL CA C 60.8770 0.0000 1 122 12 14 VAL CB C 33.9840 0.0000 1 123 12 14 VAL CG1 C 22.3700 0.0000 1 124 12 14 VAL CG2 C 20.5370 0.0000 1 125 12 14 VAL N N 129.2290 0.0000 1 126 13 15 LYS H H 8.5930 0.0000 1 127 13 15 LYS HA H 4.4410 0.0000 1 128 13 15 LYS HB2 H 1.9300 0.0000 1 129 13 15 LYS HB3 H 1.7830 0.0000 1 130 13 15 LYS HG2 H 1.5050 0.0000 2 131 13 15 LYS HG3 H 1.3380 0.0000 2 132 13 15 LYS HD2 H 1.6460 0.0000 2 133 13 15 LYS HE2 H 2.9320 0.0000 2 134 13 15 LYS HE3 H 2.9120 0.0000 2 135 13 15 LYS C C 176.0120 0.0000 1 136 13 15 LYS CA C 55.9870 0.0000 1 137 13 15 LYS CB C 33.3730 0.0000 1 138 13 15 LYS CG C 25.4270 0.0000 1 139 13 15 LYS CD C 29.0940 0.0000 1 140 13 15 LYS CE C 41.9300 0.0000 1 141 13 15 LYS N N 126.5270 0.0000 1 142 14 16 LYS H H 8.6610 0.0000 1 143 14 16 LYS HA H 4.2160 0.0000 1 144 14 16 LYS HB2 H 1.8040 0.0000 1 145 14 16 LYS HB3 H 2.1010 0.0000 1 146 14 16 LYS HG2 H 1.3910 0.0000 2 147 14 16 LYS HG3 H 1.3500 0.0000 2 148 14 16 LYS HD2 H 1.7080 0.0000 2 149 14 16 LYS HD3 H 1.6310 0.0000 2 150 14 16 LYS HE2 H 2.9600 0.0000 2 151 14 16 LYS C C 176.3360 0.0000 1 152 14 16 LYS CA C 56.5990 0.0000 1 153 14 16 LYS CB C 29.0940 0.0000 1 154 14 16 LYS CG C 24.8160 0.0000 1 155 14 16 LYS CD C 28.4830 0.0000 1 156 14 16 LYS CE C 41.9300 0.0000 1 157 14 16 LYS N N 117.2800 0.0000 1 158 15 17 VAL H H 8.3600 0.0000 1 159 15 17 VAL HA H 4.5970 0.0000 1 160 15 17 VAL HB H 1.6440 0.0000 1 161 15 17 VAL HG1 H 0.4580 0.0000 1 162 15 17 VAL HG2 H 0.4720 0.0000 1 163 15 17 VAL C C 176.6290 0.0000 1 164 15 17 VAL CA C 61.4880 0.0000 1 165 15 17 VAL CB C 32.7610 0.0000 1 166 15 17 VAL CG1 C 22.3700 0.0000 1 167 15 17 VAL CG2 C 22.9820 0.0000 1 168 15 17 VAL N N 122.8350 0.0000 1 169 16 18 ARG H H 9.9140 0.0000 1 170 16 18 ARG HA H 5.6750 0.0000 1 171 16 18 ARG HB2 H 1.6630 0.0000 1 172 16 18 ARG HB3 H 1.8920 0.0000 1 173 16 18 ARG HG2 H 1.5740 0.0000 2 174 16 18 ARG HG3 H 1.5150 0.0000 2 175 16 18 ARG HD2 H 3.2640 0.0000 2 176 16 18 ARG HD3 H 3.0380 0.0000 2 177 16 18 ARG C C 175.9130 0.0000 1 178 16 18 ARG CA C 54.7650 0.0000 1 179 16 18 ARG CB C 33.3730 0.0000 1 180 16 18 ARG CG C 28.4830 0.0000 1 181 16 18 ARG CD C 43.7630 0.0000 1 182 16 18 ARG N N 131.3080 0.0000 1 183 17 19 GLN H H 8.2090 0.0000 1 184 17 19 GLN HA H 4.2530 0.0000 1 185 17 19 GLN HB2 H 0.4160 0.0000 2 186 17 19 GLN HB3 H 0.3870 0.0000 2 187 17 19 GLN HG2 H 1.6460 0.0000 2 188 17 19 GLN HG3 H 1.1520 0.0000 2 189 17 19 GLN HE21 H 6.6330 0.0000 2 190 17 19 GLN HE22 H 5.8450 0.0000 2 191 17 19 GLN C C 174.8320 0.0000 1 192 17 19 GLN CA C 55.9870 0.0000 1 193 17 19 GLN CB C 28.4830 0.0000 1 194 17 19 GLN CG C 33.9840 0.0000 1 195 17 19 GLN N N 124.5550 0.0000 1 196 17 19 GLN NE2 N 111.5710 0.0000 1 197 18 20 LYS H H 9.4980 0.0000 1 198 18 20 LYS HA H 3.7650 0.0000 1 199 18 20 LYS HB2 H 1.9050 0.0000 2 200 18 20 LYS HB3 H 1.6670 0.0000 2 201 18 20 LYS HG2 H 1.3880 0.0000 2 202 18 20 LYS HG3 H 1.2850 0.0000 2 203 18 20 LYS HD2 H 1.6670 0.0000 2 204 18 20 LYS HE2 H 2.9930 0.0000 2 205 18 20 LYS C C 175.6360 0.0000 1 206 18 20 LYS CA C 57.8210 0.0000 1 207 18 20 LYS CB C 29.7050 0.0000 1 208 18 20 LYS CG C 25.4270 0.0000 1 209 18 20 LYS CD C 29.0940 0.0000 1 210 18 20 LYS CE C 41.9300 0.0000 1 211 18 20 LYS N N 128.3700 0.0000 1 212 19 21 LYS H H 8.8310 0.0000 1 213 19 21 LYS HA H 3.7130 0.0000 1 214 19 21 LYS HB2 H 2.1230 0.0000 2 215 19 21 LYS HB3 H 2.0480 0.0000 2 216 19 21 LYS HG2 H 1.3470 0.0000 2 217 19 21 LYS HD2 H 1.6420 0.0000 2 218 19 21 LYS HE2 H 2.9610 0.0000 2 219 19 21 LYS C C 175.0120 0.0000 1 220 19 21 LYS CA C 58.4320 0.0000 1 221 19 21 LYS CB C 30.3170 0.0000 1 222 19 21 LYS CG C 25.4270 0.0000 1 223 19 21 LYS CD C 29.0940 0.0000 1 224 19 21 LYS CE C 41.9300 0.0000 1 225 19 21 LYS N N 111.1400 0.0000 1 226 20 22 GLN H H 7.7330 0.0000 1 227 20 22 GLN HA H 4.7460 0.0000 1 228 20 22 GLN HB2 H 2.5050 0.0000 2 229 20 22 GLN HB3 H 2.4200 0.0000 2 230 20 22 GLN HG2 H 2.6310 0.0000 2 231 20 22 GLN HG3 H 2.5920 0.0000 2 232 20 22 GLN HE21 H 7.6440 0.0000 2 233 20 22 GLN HE22 H 6.9500 0.0000 2 234 20 22 GLN C C 175.3310 0.0000 1 235 20 22 GLN CA C 54.7650 0.0000 1 236 20 22 GLN CB C 32.1500 0.0000 1 237 20 22 GLN CG C 33.9840 0.0000 1 238 20 22 GLN N N 120.2670 0.0000 1 239 20 22 GLN NE2 N 113.1740 0.0000 1 240 21 23 ASP H H 8.8020 0.0000 1 241 21 23 ASP HA H 4.6730 0.0000 1 242 21 23 ASP HB2 H 2.6880 0.0000 2 243 21 23 ASP HB3 H 2.6210 0.0000 2 244 21 23 ASP C C 177.1080 0.0000 1 245 21 23 ASP CA C 55.9870 0.0000 1 246 21 23 ASP CB C 42.5410 0.0000 1 247 21 23 ASP N N 124.5770 0.0000 1 248 22 24 GLY H H 7.8350 0.0000 1 249 22 24 GLY HA2 H 4.1250 0.0000 2 250 22 24 GLY HA3 H 4.0020 0.0000 2 251 22 24 GLY C C 170.5070 0.0000 1 252 22 24 GLY CA C 46.8190 0.0000 1 253 22 24 GLY N N 113.4360 0.0000 1 254 23 25 ALA H H 7.8310 0.0000 1 255 23 25 ALA HA H 5.1480 0.0000 1 256 23 25 ALA HB H 1.2390 0.0000 1 257 23 25 ALA C C 173.5960 0.0000 1 258 23 25 ALA CA C 50.4870 0.0000 1 259 23 25 ALA CB C 22.3700 0.0000 1 260 23 25 ALA N N 123.0260 0.0000 1 261 24 26 LEU H H 9.0120 0.0000 1 262 24 26 LEU HA H 4.9330 0.0000 1 263 24 26 LEU HB2 H 1.8470 0.0000 1 264 24 26 LEU HB3 H 0.9550 0.0000 1 265 24 26 LEU HG H 1.2980 0.0000 1 266 24 26 LEU HD1 H 0.2280 0.0000 1 267 24 26 LEU HD2 H 0.5470 0.0000 1 268 24 26 LEU C C 173.8170 0.0000 1 269 24 26 LEU CA C 53.5430 0.0000 1 270 24 26 LEU CB C 47.4300 0.0000 1 271 24 26 LEU CG C 26.6490 0.0000 1 272 24 26 LEU CD1 C 23.5930 0.0000 1 273 24 26 LEU CD2 C 26.6490 0.0000 1 274 24 26 LEU N N 124.8340 0.0000 1 275 25 27 TYR H H 9.6200 0.0000 1 276 25 27 TYR HA H 4.9990 0.0000 1 277 25 27 TYR HB2 H 2.6810 0.0000 1 278 25 27 TYR HB3 H 2.7870 0.0000 1 279 25 27 TYR HD1 H 7.1170 0.0000 3 280 25 27 TYR HE1 H 6.7310 0.0000 3 281 25 27 TYR C C 174.2430 0.0000 1 282 25 27 TYR CA C 56.5990 0.0000 1 283 25 27 TYR CB C 40.7070 0.0000 1 284 25 27 TYR CD1 C 133.0010 0.0000 3 285 25 27 TYR CE1 C 118.3350 0.0000 3 286 25 27 TYR N N 126.5850 0.0000 1 287 26 28 LEU H H 9.2730 0.0000 1 288 26 28 LEU HA H 4.8310 0.0000 1 289 26 28 LEU HB2 H 1.7900 0.0000 2 290 26 28 LEU HG H 1.9020 0.0000 1 291 26 28 LEU HD1 H 1.0580 0.0000 1 292 26 28 LEU HD2 H 1.0170 0.0000 1 293 26 28 LEU C C 175.3300 0.0000 1 294 26 28 LEU CA C 56.5990 0.0000 1 295 26 28 LEU CB C 41.3180 0.0000 1 296 26 28 LEU CG C 31.5390 0.0000 1 297 26 28 LEU CD1 C 27.2600 0.0000 1 298 26 28 LEU CD2 C 24.8160 0.0000 1 299 26 28 LEU N N 126.0380 0.0000 1 300 27 29 MET H H 8.8670 0.0000 1 301 27 29 MET HA H 5.3410 0.0000 1 302 27 29 MET HB2 H 2.5220 0.0000 1 303 27 29 MET HB3 H 2.1060 0.0000 1 304 27 29 MET HG2 H 2.5870 0.0000 2 305 27 29 MET HG3 H 2.3380 0.0000 2 306 27 29 MET HE H 1.6540 0.0000 1 307 27 29 MET C C 176.1280 0.0000 1 308 27 29 MET CA C 53.5430 0.0000 1 309 27 29 MET CB C 33.9840 0.0000 1 310 27 29 MET CG C 33.9840 0.0000 1 311 27 29 MET CE C 18.7030 0.0000 1 312 27 29 MET N N 123.6930 0.0000 1 313 28 30 ALA H H 8.0310 0.0000 1 314 28 30 ALA HA H 4.2340 0.0000 1 315 28 30 ALA HB H 1.7020 0.0000 1 316 28 30 ALA C C 178.9000 0.0000 1 317 28 30 ALA CA C 56.5990 0.0000 1 318 28 30 ALA CB C 19.3140 0.0000 1 319 28 30 ALA N N 122.5210 0.0000 1 320 29 31 GLU H H 8.6250 0.0000 1 321 29 31 GLU HA H 4.3470 0.0000 1 322 29 31 GLU HB2 H 1.9440 0.0000 1 323 29 31 GLU HB3 H 1.7440 0.0000 1 324 29 31 GLU HG2 H 2.2990 0.0000 2 325 29 31 GLU HG3 H 2.1600 0.0000 2 326 29 31 GLU C C 175.5270 0.0000 1 327 29 31 GLU CA C 55.3760 0.0000 1 328 29 31 GLU CB C 32.1500 0.0000 1 329 29 31 GLU CG C 36.4290 0.0000 1 330 29 31 GLU N N 109.1440 0.0000 1 331 30 32 ARG H H 6.5900 0.0000 1 332 30 32 ARG HA H 3.8910 0.0000 1 333 30 32 ARG HB2 H 1.8920 0.0000 1 334 30 32 ARG HB3 H 1.0440 0.0000 1 335 30 32 ARG HG2 H 1.3750 0.0000 2 336 30 32 ARG HG3 H 0.8250 0.0000 2 337 30 32 ARG HD2 H 2.7990 0.0000 2 338 30 32 ARG HD3 H 2.6590 0.0000 2 339 30 32 ARG C C 184.4430 0.0000 1 340 30 32 ARG CA C 53.5430 0.0000 1 341 30 32 ARG CB C 33.3730 0.0000 1 342 30 32 ARG CG C 24.2040 0.0000 1 343 30 32 ARG CD C 43.7630 0.0000 1 344 30 32 ARG N N 117.1790 0.0000 1 345 31 33 ILE H H 8.2660 0.0000 1 346 31 33 ILE HA H 5.1810 0.0000 1 347 31 33 ILE HB H 1.9970 0.0000 1 348 31 33 ILE HG12 H 1.8570 0.0000 2 349 31 33 ILE HG13 H 0.9680 0.0000 2 350 31 33 ILE HG2 H 1.1160 0.0000 1 351 31 33 ILE HD1 H 0.9720 0.0000 1 352 31 33 ILE C C 185.5010 0.0000 1 353 31 33 ILE CA C 57.8210 0.0000 1 354 31 33 ILE CB C 41.3180 0.0000 1 355 31 33 ILE CG1 C 28.4830 0.0000 1 356 31 33 ILE CG2 C 16.2580 0.0000 1 357 31 33 ILE CD1 C 15.0360 0.0000 1 358 31 33 ILE N N 118.9800 0.0000 1 359 32 34 ALA H H 9.2290 0.0000 1 360 32 34 ALA HA H 5.0300 0.0000 1 361 32 34 ALA HB H 0.3110 0.0000 1 362 32 34 ALA C C 173.9510 0.0000 1 363 32 34 ALA CA C 50.4870 0.0000 1 364 32 34 ALA CB C 22.3700 0.0000 1 365 32 34 ALA N N 130.0280 0.0000 1 366 33 35 TRP H H 8.7720 0.0000 1 367 33 35 TRP HA H 5.7420 0.0000 1 368 33 35 TRP HB2 H 3.2300 0.0000 1 369 33 35 TRP HB3 H 3.0010 0.0000 1 370 33 35 TRP HD1 H 6.4370 0.0000 1 371 33 35 TRP HE1 H 9.9540 0.0000 1 372 33 35 TRP HE3 H 7.5470 0.0000 1 373 33 35 TRP HZ2 H 7.8240 0.0000 1 374 33 35 TRP HZ3 H 7.1070 0.0000 1 375 33 35 TRP HH2 H 7.1730 0.0000 1 376 33 35 TRP C C 174.3090 0.0000 1 377 33 35 TRP CA C 56.5990 0.0000 1 378 33 35 TRP CB C 33.9840 0.0000 1 379 33 35 TRP CD1 C 125.6660 0.0000 1 380 33 35 TRP CE3 C 120.7770 0.0000 1 381 33 35 TRP CZ2 C 115.2760 0.0000 1 382 33 35 TRP CZ3 C 121.9990 0.0000 1 383 33 35 TRP CH2 C 124.4440 0.0000 1 384 33 35 TRP N N 121.4920 0.0000 1 385 33 35 TRP NE1 N 129.6940 0.0000 1 386 34 36 ALA H H 8.0650 0.0000 1 387 34 36 ALA HA H 5.0810 0.0000 1 388 34 36 ALA HB H 1.0770 0.0000 1 389 34 36 ALA C C 173.2890 0.0000 1 390 34 36 ALA CA C 48.0420 0.0000 1 391 34 36 ALA CB C 22.3700 0.0000 1 392 34 36 ALA N N 131.2190 0.0000 1 393 35 37 PRO HA H 4.0860 0.0000 1 394 35 37 PRO HB2 H 2.3780 0.0000 2 395 35 37 PRO HB3 H 1.8070 0.0000 2 396 35 37 PRO HG2 H 2.2090 0.0000 2 397 35 37 PRO HG3 H 1.9890 0.0000 2 398 35 37 PRO HD2 H 3.9720 0.0000 2 399 35 37 PRO HD3 H 3.5680 0.0000 2 400 35 37 PRO C C 176.5000 0.0000 1 401 35 37 PRO CA C 62.1000 0.0000 1 402 35 37 PRO CB C 31.5390 0.0000 1 403 35 37 PRO CG C 27.2600 0.0000 1 404 35 37 PRO CD C 51.0980 0.0000 1 405 36 38 GLU H H 8.4270 0.0000 1 406 36 38 GLU HA H 4.0180 0.0000 1 407 36 38 GLU HB2 H 1.8810 0.0000 2 408 36 38 GLU HB3 H 1.8190 0.0000 2 409 36 38 GLU HG2 H 2.2380 0.0000 2 410 36 38 GLU HG3 H 2.1570 0.0000 2 411 36 38 GLU C C 177.5030 0.0000 1 412 36 38 GLU CA C 57.8210 0.0000 1 413 36 38 GLU CB C 29.7050 0.0000 1 414 36 38 GLU CG C 35.8170 0.0000 1 415 36 38 GLU N N 124.0470 0.0000 1 416 37 39 GLY H H 8.6510 0.0000 1 417 37 39 GLY HA2 H 4.1970 0.0000 2 418 37 39 GLY HA3 H 3.6900 0.0000 2 419 37 39 GLY C C 174.0130 0.0000 1 420 37 39 GLY CA C 44.9860 0.0000 1 421 37 39 GLY N N 114.2390 0.0000 1 422 38 40 LYS H H 7.6370 0.0000 1 423 38 40 LYS HA H 4.6060 0.0000 1 424 38 40 LYS HB2 H 1.8740 0.0000 2 425 38 40 LYS HB3 H 1.8140 0.0000 2 426 38 40 LYS HG2 H 1.4230 0.0000 2 427 38 40 LYS HG3 H 1.3490 0.0000 2 428 38 40 LYS HD2 H 1.6660 0.0000 2 429 38 40 LYS HD3 H 1.6010 0.0000 2 430 38 40 LYS HE2 H 2.9810 0.0000 2 431 38 40 LYS HE3 H 2.9620 0.0000 2 432 38 40 LYS C C 175.7500 0.0000 1 433 38 40 LYS CA C 54.1540 0.0000 1 434 38 40 LYS CB C 33.9840 0.0000 1 435 38 40 LYS CG C 25.4270 0.0000 1 436 38 40 LYS CD C 27.8720 0.0000 1 437 38 40 LYS CE C 41.9300 0.0000 1 438 38 40 LYS N N 120.2610 0.0000 1 439 39 41 ASP H H 8.2000 0.0000 1 440 39 41 ASP HA H 4.4030 0.0000 1 441 39 41 ASP HB2 H 2.6540 0.0000 2 442 39 41 ASP HB3 H 2.5180 0.0000 2 443 39 41 ASP C C 174.8250 0.0000 1 444 39 41 ASP CA C 53.5430 0.0000 1 445 39 41 ASP CB C 40.7070 0.0000 1 446 39 41 ASP N N 120.4900 0.0000 1 447 40 42 ARG H H 6.8540 0.0000 1 448 40 42 ARG HA H 4.2250 0.0000 1 449 40 42 ARG HB2 H 1.6650 0.0000 2 450 40 42 ARG HB3 H 1.5670 0.0000 2 451 40 42 ARG HG2 H 1.4250 0.0000 2 452 40 42 ARG HD2 H 3.1120 0.0000 2 453 40 42 ARG C C 174.5330 0.0000 1 454 40 42 ARG CA C 54.1540 0.0000 1 455 40 42 ARG CB C 32.7610 0.0000 1 456 40 42 ARG CG C 26.0380 0.0000 1 457 40 42 ARG CD C 43.1520 0.0000 1 458 40 42 ARG N N 116.9500 0.0000 1 459 41 43 PHE H H 7.8730 0.0000 1 460 41 43 PHE HA H 4.7100 0.0000 1 461 41 43 PHE HB2 H 3.1920 0.0000 1 462 41 43 PHE HB3 H 2.7400 0.0000 1 463 41 43 PHE HD1 H 6.9020 0.0000 3 464 41 43 PHE HE1 H 6.5080 0.0000 3 465 41 43 PHE HZ H 6.3900 0.0000 1 466 41 43 PHE C C 177.5040 0.0000 1 467 41 43 PHE CA C 57.2100 0.0000 1 468 41 43 PHE CB C 38.2620 0.0000 1 469 41 43 PHE CD1 C 131.1670 0.0000 3 470 41 43 PHE CE1 C 131.1670 0.0000 3 471 41 43 PHE CZ C 129.3340 0.0000 1 472 41 43 PHE N N 120.2630 0.0000 1 473 42 44 THR H H 8.6680 0.0000 1 474 42 44 THR HA H 4.5900 0.0000 1 475 42 44 THR HB H 4.5080 0.0000 1 476 42 44 THR HG2 H 1.2820 0.0000 1 477 42 44 THR C C 174.7670 0.0000 1 478 42 44 THR CA C 62.7110 0.0000 1 479 42 44 THR CB C 68.8230 0.0000 1 480 42 44 THR CG2 C 22.9820 0.0000 1 481 42 44 THR N N 114.8000 0.0000 1 482 43 45 ILE H H 7.8670 0.0000 1 483 43 45 ILE HA H 4.3040 0.0000 1 484 43 45 ILE HB H 1.9830 0.0000 1 485 43 45 ILE HG12 H 1.5290 0.0000 2 486 43 45 ILE HG13 H 1.3050 0.0000 2 487 43 45 ILE HG2 H 0.6660 0.0000 1 488 43 45 ILE HD1 H 0.6730 0.0000 1 489 43 45 ILE C C 174.7010 0.0000 1 490 43 45 ILE CA C 59.6550 0.0000 1 491 43 45 ILE CB C 41.9300 0.0000 1 492 43 45 ILE CG1 C 27.2600 0.0000 1 493 43 45 ILE CG2 C 16.8690 0.0000 1 494 43 45 ILE CD1 C 12.5910 0.0000 1 495 43 45 ILE N N 124.0610 0.0000 1 496 44 46 SER H H 8.0640 0.0000 1 497 44 46 SER HA H 4.7270 0.0000 1 498 44 46 SER HB2 H 3.5480 0.0000 1 499 44 46 SER HB3 H 3.3160 0.0000 1 500 44 46 SER C C 172.7850 0.0000 1 501 44 46 SER CA C 57.2100 0.0000 1 502 44 46 SER CB C 63.3220 0.0000 1 503 44 46 SER N N 120.6510 0.0000 1 504 45 47 HIS H H 9.0190 0.0000 1 505 45 47 HIS HA H 5.2720 0.0000 1 506 45 47 HIS HB2 H 2.6430 0.0000 1 507 45 47 HIS HB3 H 2.8330 0.0000 1 508 45 47 HIS HD2 H 6.3920 0.0000 1 509 45 47 HIS C C 175.0460 0.0000 1 510 45 47 HIS CA C 52.9310 0.0000 1 511 45 47 HIS CB C 32.1500 0.0000 1 512 45 47 HIS CD2 C 123.2220 0.0000 1 513 45 47 HIS N N 125.8980 0.0000 1 514 46 48 MET H H 9.2400 0.0000 1 515 46 48 MET HA H 4.3500 0.0000 1 516 46 48 MET HB2 H 2.4500 0.0000 1 517 46 48 MET HB3 H 1.9690 0.0000 1 518 46 48 MET HG2 H 2.7840 0.0000 2 519 46 48 MET HG3 H 2.5920 0.0000 2 520 46 48 MET HE H 2.0250 0.0000 1 521 46 48 MET C C 178.9920 0.0000 1 522 46 48 MET CA C 54.1540 0.0000 1 523 46 48 MET CB C 29.7050 0.0000 1 524 46 48 MET CG C 32.1500 0.0000 1 525 46 48 MET CE C 16.2580 0.0000 1 526 46 48 MET N N 124.7750 0.0000 1 527 47 49 TYR H H 7.7710 0.0000 1 528 47 49 TYR HA H 4.3310 0.0000 1 529 47 49 TYR HB2 H 2.9500 0.0000 1 530 47 49 TYR HB3 H 2.3380 0.0000 1 531 47 49 TYR HD1 H 6.6090 0.0000 3 532 47 49 TYR HE1 H 6.6050 0.0000 3 533 47 49 TYR C C 179.2460 0.0000 1 534 47 49 TYR CA C 60.2660 0.0000 1 535 47 49 TYR CB C 37.0400 0.0000 1 536 47 49 TYR CD1 C 130.5560 0.0000 3 537 47 49 TYR CE1 C 120.1660 0.0000 3 538 47 49 TYR N N 125.4100 0.0000 1 539 48 50 ALA H H 8.7940 0.0000 1 540 48 50 ALA HA H 4.3860 0.0000 1 541 48 50 ALA HB H 1.5250 0.0000 1 542 48 50 ALA C C 178.2110 0.0000 1 543 48 50 ALA CA C 54.1540 0.0000 1 544 48 50 ALA CB C 19.3140 0.0000 1 545 48 50 ALA N N 119.7520 0.0000 1 546 49 51 ASP H H 7.8440 0.0000 1 547 49 51 ASP HA H 5.0220 0.0000 1 548 49 51 ASP HB2 H 3.0640 0.0000 1 549 49 51 ASP HB3 H 2.9320 0.0000 1 550 49 51 ASP C C 175.8340 0.0000 1 551 49 51 ASP CA C 55.3760 0.0000 1 552 49 51 ASP CB C 41.9300 0.0000 1 553 49 51 ASP N N 115.9670 0.0000 1 554 50 52 ILE H H 7.6760 0.0000 1 555 50 52 ILE HA H 3.8270 0.0000 1 556 50 52 ILE HB H 2.0580 0.0000 1 557 50 52 ILE HG12 H 1.9120 0.0000 2 558 50 52 ILE HG13 H 0.5500 0.0000 2 559 50 52 ILE HG2 H 0.7610 0.0000 1 560 50 52 ILE HD1 H 0.9690 0.0000 1 561 50 52 ILE C C 172.9290 0.0000 1 562 50 52 ILE CA C 62.1000 0.0000 1 563 50 52 ILE CB C 39.4850 0.0000 1 564 50 52 ILE CG1 C 26.6490 0.0000 1 565 50 52 ILE CG2 C 18.7030 0.0000 1 566 50 52 ILE CD1 C 15.6470 0.0000 1 567 50 52 ILE N N 125.3520 0.0000 1 568 51 53 LYS H H 9.1390 0.0000 1 569 51 53 LYS HA H 3.6520 0.0000 1 570 51 53 LYS HB2 H 1.3110 0.0000 1 571 51 53 LYS HB3 H 0.8020 0.0000 1 572 51 53 LYS HG2 H 1.3410 0.0000 2 573 51 53 LYS HG3 H 1.1000 0.0000 2 574 51 53 LYS HD2 H 1.6850 0.0000 2 575 51 53 LYS HD3 H 1.5450 0.0000 2 576 51 53 LYS HE2 H 2.9410 0.0000 2 577 51 53 LYS C C 176.7450 0.0000 1 578 51 53 LYS CA C 58.4320 0.0000 1 579 51 53 LYS CB C 33.9840 0.0000 1 580 51 53 LYS CG C 24.8160 0.0000 1 581 51 53 LYS CD C 29.7050 0.0000 1 582 51 53 LYS CE C 41.9300 0.0000 1 583 51 53 LYS N N 129.1260 0.0000 1 584 52 54 CYS H H 7.8360 0.0000 1 585 52 54 CYS HA H 4.7310 0.0000 1 586 52 54 CYS HB2 H 3.1740 0.0000 1 587 52 54 CYS HB3 H 3.1230 0.0000 1 588 52 54 CYS C C 170.2860 0.0000 1 589 52 54 CYS CA C 55.9870 0.0000 1 590 52 54 CYS CB C 29.7050 0.0000 1 591 52 54 CYS N N 111.1590 0.0000 1 592 53 55 GLN H H 8.3020 0.0000 1 593 53 55 GLN HA H 5.7560 0.0000 1 594 53 55 GLN HB2 H 1.5820 0.0000 1 595 53 55 GLN HB3 H 2.2300 0.0000 1 596 53 55 GLN HG2 H 2.2250 0.0000 2 597 53 55 GLN HG3 H 2.1360 0.0000 2 598 53 55 GLN HE21 H 7.0370 0.0000 2 599 53 55 GLN HE22 H 6.4320 0.0000 2 600 53 55 GLN C C 174.5820 0.0000 1 601 53 55 GLN CA C 52.9310 0.0000 1 602 53 55 GLN CB C 31.5390 0.0000 1 603 53 55 GLN CG C 31.5390 0.0000 1 604 53 55 GLN N N 116.8780 0.0000 1 605 53 55 GLN NE2 N 105.1030 0.0000 1 606 54 56 LYS H H 9.2700 0.0000 1 607 54 56 LYS HA H 4.8440 0.0000 1 608 54 56 LYS HB2 H 1.9130 0.0000 1 609 54 56 LYS HB3 H 1.5580 0.0000 1 610 54 56 LYS HG2 H 1.3750 0.0000 2 611 54 56 LYS HG3 H 1.2640 0.0000 2 612 54 56 LYS HD2 H 1.6230 0.0000 2 613 54 56 LYS HE2 H 2.8410 0.0000 2 614 54 56 LYS HE3 H 2.7920 0.0000 2 615 54 56 LYS C C 175.2710 0.0000 1 616 54 56 LYS CA C 54.7650 0.0000 1 617 54 56 LYS CB C 37.0400 0.0000 1 618 54 56 LYS CG C 25.4270 0.0000 1 619 54 56 LYS CD C 29.0940 0.0000 1 620 54 56 LYS CE C 41.9300 0.0000 1 621 54 56 LYS N N 121.4490 0.0000 1 622 55 57 ILE H H 8.7370 0.0000 1 623 55 57 ILE HA H 5.0270 0.0000 1 624 55 57 ILE HB H 2.0000 0.0000 1 625 55 57 ILE HG12 H 1.4100 0.0000 2 626 55 57 ILE HG13 H 1.1980 0.0000 2 627 55 57 ILE HG2 H 0.9550 0.0000 1 628 55 57 ILE HD1 H 0.8130 0.0000 1 629 55 57 ILE C C 175.5150 0.0000 1 630 55 57 ILE CA C 59.0440 0.0000 1 631 55 57 ILE CB C 40.7070 0.0000 1 632 55 57 ILE CG1 C 26.0380 0.0000 1 633 55 57 ILE CG2 C 18.0920 0.0000 1 634 55 57 ILE CD1 C 13.2020 0.0000 1 635 55 57 ILE N N 118.4520 0.0000 1 636 56 58 SER H H 7.6940 0.0000 1 637 56 58 SER HA H 4.0470 0.0000 1 638 56 58 SER HB2 H 3.3850 0.0000 1 639 56 58 SER HB3 H 3.9500 0.0000 1 640 56 58 SER C C 172.5750 0.0000 1 641 56 58 SER CA C 56.5990 0.0000 1 642 56 58 SER CB C 62.1000 0.0000 1 643 56 58 SER N N 121.0720 0.0000 1 644 57 59 PRO HA H 4.5610 0.0000 1 645 57 59 PRO HB2 H 2.3690 0.0000 2 646 57 59 PRO HB3 H 1.9980 0.0000 2 647 57 59 PRO HG2 H 2.0730 0.0000 2 648 57 59 PRO HG3 H 1.9010 0.0000 2 649 57 59 PRO HD2 H 3.6660 0.0000 2 650 57 59 PRO HD3 H 3.3570 0.0000 2 651 57 59 PRO C C 177.6010 0.0000 1 652 57 59 PRO CA C 62.7110 0.0000 1 653 57 59 PRO CB C 32.7610 0.0000 1 654 57 59 PRO CG C 27.2600 0.0000 1 655 57 59 PRO CD C 51.0980 0.0000 1 656 58 60 GLU H H 8.7870 0.0000 1 657 58 60 GLU HA H 4.1230 0.0000 1 658 58 60 GLU HB2 H 1.9980 0.0000 2 659 58 60 GLU HG2 H 2.3010 0.0000 2 660 58 60 GLU C C 177.2770 0.0000 1 661 58 60 GLU CA C 58.4320 0.0000 1 662 58 60 GLU CB C 29.7050 0.0000 1 663 58 60 GLU CG C 35.8170 0.0000 1 664 58 60 GLU N N 124.2330 0.0000 1 665 59 61 GLY H H 8.6430 0.0000 1 666 59 61 GLY HA2 H 4.1610 0.0000 2 667 59 61 GLY HA3 H 3.7480 0.0000 2 668 59 61 GLY C C 174.5190 0.0000 1 669 59 61 GLY CA C 44.9860 0.0000 1 670 59 61 GLY N N 111.9220 0.0000 1 671 60 62 LYS H H 7.2490 0.0000 1 672 60 62 LYS HA H 4.5040 0.0000 1 673 60 62 LYS HB2 H 1.9480 0.0000 1 674 60 62 LYS HB3 H 1.8190 0.0000 1 675 60 62 LYS HG2 H 1.4450 0.0000 2 676 60 62 LYS HG3 H 1.3890 0.0000 2 677 60 62 LYS HD2 H 1.6920 0.0000 2 678 60 62 LYS HD3 H 1.6160 0.0000 2 679 60 62 LYS HE2 H 2.9820 0.0000 2 680 60 62 LYS C C 176.7090 0.0000 1 681 60 62 LYS CA C 54.7650 0.0000 1 682 60 62 LYS CB C 32.1500 0.0000 1 683 60 62 LYS CG C 24.8160 0.0000 1 684 60 62 LYS CD C 28.4830 0.0000 1 685 60 62 LYS CE C 41.9300 0.0000 1 686 60 62 LYS N N 120.5050 0.0000 1 687 61 63 ALA H H 8.5870 0.0000 1 688 61 63 ALA HA H 4.0430 0.0000 1 689 61 63 ALA HB H 1.4220 0.0000 1 690 61 63 ALA C C 178.1250 0.0000 1 691 61 63 ALA CA C 54.1540 0.0000 1 692 61 63 ALA CB C 19.3140 0.0000 1 693 61 63 ALA N N 127.1110 0.0000 1 694 62 64 LYS H H 7.7590 0.0000 1 695 62 64 LYS HA H 4.2270 0.0000 1 696 62 64 LYS HB2 H 1.5580 0.0000 2 697 62 64 LYS HB3 H 1.0980 0.0000 2 698 62 64 LYS HG2 H 1.0380 0.0000 2 699 62 64 LYS HG3 H 0.8060 0.0000 2 700 62 64 LYS HD2 H 1.1950 0.0000 2 701 62 64 LYS HD3 H 1.0990 0.0000 2 702 62 64 LYS HE2 H 2.5440 0.0000 2 703 62 64 LYS C C 175.0910 0.0000 1 704 62 64 LYS CA C 55.9870 0.0000 1 705 62 64 LYS CB C 32.7610 0.0000 1 706 62 64 LYS CG C 24.8160 0.0000 1 707 62 64 LYS CD C 29.0940 0.0000 1 708 62 64 LYS CE C 41.3180 0.0000 1 709 62 64 LYS N N 117.5370 0.0000 1 710 63 65 ILE H H 8.9850 0.0000 1 711 63 65 ILE HA H 3.9520 0.0000 1 712 63 65 ILE HB H 2.5700 0.0000 1 713 63 65 ILE HG12 H 1.7580 0.0000 2 714 63 65 ILE HG13 H 1.4170 0.0000 2 715 63 65 ILE HG2 H 0.7320 0.0000 1 716 63 65 ILE HD1 H 0.7680 0.0000 1 717 63 65 ILE C C 176.1730 0.0000 1 718 63 65 ILE CA C 60.2660 0.0000 1 719 63 65 ILE CB C 34.5950 0.0000 1 720 63 65 ILE CG1 C 26.0380 0.0000 1 721 63 65 ILE CG2 C 17.4810 0.0000 1 722 63 65 ILE CD1 C 10.1460 0.0000 1 723 63 65 ILE N N 127.8420 0.0000 1 724 64 66 GLN H H 8.7700 0.0000 1 725 64 66 GLN HA H 6.2620 0.0000 1 726 64 66 GLN HB2 H 2.3930 0.0000 1 727 64 66 GLN HB3 H 1.9010 0.0000 1 728 64 66 GLN HG2 H 2.1230 0.0000 2 729 64 66 GLN HG3 H 1.9500 0.0000 2 730 64 66 GLN HE21 H 7.6060 0.0000 2 731 64 66 GLN HE22 H 7.1470 0.0000 2 732 64 66 GLN C C 175.3940 0.0000 1 733 64 66 GLN CA C 54.7650 0.0000 1 734 64 66 GLN CB C 36.4290 0.0000 1 735 64 66 GLN CG C 35.8170 0.0000 1 736 64 66 GLN N N 126.7720 0.0000 1 737 64 66 GLN NE2 N 112.9910 0.0000 1 738 65 67 LEU H H 9.2200 0.0000 1 739 65 67 LEU HA H 5.1920 0.0000 1 740 65 67 LEU HB2 H 2.0720 0.0000 1 741 65 67 LEU HB3 H 1.6920 0.0000 1 742 65 67 LEU HG H 1.8600 0.0000 1 743 65 67 LEU HD1 H 1.0970 0.0000 1 744 65 67 LEU HD2 H 1.0170 0.0000 1 745 65 67 LEU C C 172.9060 0.0000 1 746 65 67 LEU CA C 55.3760 0.0000 1 747 65 67 LEU CB C 49.8750 0.0000 1 748 65 67 LEU CG C 27.8720 0.0000 1 749 65 67 LEU CD1 C 26.0380 0.0000 1 750 65 67 LEU CD2 C 26.0380 0.0000 1 751 65 67 LEU N N 126.4720 0.0000 1 752 66 68 GLN H H 9.6390 0.0000 1 753 66 68 GLN HA H 5.3510 0.0000 1 754 66 68 GLN HB2 H 1.2910 0.0000 1 755 66 68 GLN HB3 H 1.5590 0.0000 1 756 66 68 GLN HG2 H 2.0490 0.0000 2 757 66 68 GLN HG3 H 1.4740 0.0000 2 758 66 68 GLN HE21 H 7.4300 0.0000 2 759 66 68 GLN HE22 H 6.3020 0.0000 2 760 66 68 GLN C C 174.6590 0.0000 1 761 66 68 GLN CA C 54.1540 0.0000 1 762 66 68 GLN CB C 33.9840 0.0000 1 763 66 68 GLN CG C 35.8170 0.0000 1 764 66 68 GLN N N 128.5080 0.0000 1 765 66 68 GLN NE2 N 111.1540 0.0000 1 766 67 69 LEU H H 9.0480 0.0000 1 767 67 69 LEU HA H 4.8900 0.0000 1 768 67 69 LEU HB2 H 1.1170 0.0000 1 769 67 69 LEU HB3 H 1.7470 0.0000 1 770 67 69 LEU HG H 1.8530 0.0000 1 771 67 69 LEU HD1 H 1.1440 0.0000 1 772 67 69 LEU HD2 H 0.9930 0.0000 1 773 67 69 LEU C C 174.8630 0.0000 1 774 67 69 LEU CA C 52.9310 0.0000 1 775 67 69 LEU CB C 43.1520 0.0000 1 776 67 69 LEU CG C 26.6490 0.0000 1 777 67 69 LEU CD1 C 27.2600 0.0000 1 778 67 69 LEU CD2 C 23.5930 0.0000 1 779 67 69 LEU N N 124.9980 0.0000 1 780 68 70 VAL H H 8.3980 0.0000 1 781 68 70 VAL HA H 4.2610 0.0000 1 782 68 70 VAL HB H 2.1820 0.0000 1 783 68 70 VAL HG1 H 0.7890 0.0000 1 784 68 70 VAL HG2 H 0.6740 0.0000 1 785 68 70 VAL C C 175.7270 0.0000 1 786 68 70 VAL CA C 61.4880 0.0000 1 787 68 70 VAL CB C 32.1500 0.0000 1 788 68 70 VAL CG1 C 20.5370 0.0000 1 789 68 70 VAL CG2 C 21.1480 0.0000 1 790 68 70 VAL N N 123.9290 0.0000 1 791 69 71 LEU H H 8.7740 0.0000 1 792 69 71 LEU HA H 4.6370 0.0000 1 793 69 71 LEU HB2 H 1.8870 0.0000 1 794 69 71 LEU HB3 H 1.8150 0.0000 1 795 69 71 LEU HG H 1.4530 0.0000 1 796 69 71 LEU HD1 H 0.4760 0.0000 1 797 69 71 LEU HD2 H 0.1870 0.0000 1 798 69 71 LEU C C 179.0300 0.0000 1 799 69 71 LEU CA C 54.1540 0.0000 1 800 69 71 LEU CB C 40.0960 0.0000 1 801 69 71 LEU CG C 27.8720 0.0000 1 802 69 71 LEU CD1 C 24.2040 0.0000 1 803 69 71 LEU CD2 C 22.3700 0.0000 1 804 69 71 LEU N N 129.2190 0.0000 1 805 70 72 HIS H H 8.1410 0.0000 1 806 70 72 HIS HA H 4.2500 0.0000 1 807 70 72 HIS HB2 H 3.0810 0.0000 2 808 70 72 HIS HB3 H 2.9980 0.0000 2 809 70 72 HIS HD2 H 6.9890 0.0000 1 810 70 72 HIS C C 177.5550 0.0000 1 811 70 72 HIS CA C 60.8770 0.0000 1 812 70 72 HIS CB C 30.9280 0.0000 1 813 70 72 HIS CD2 C 118.3350 0.0000 1 814 70 72 HIS N N 122.8950 0.0000 1 815 71 73 ALA H H 8.4920 0.0000 1 816 71 73 ALA HA H 4.3180 0.0000 1 817 71 73 ALA HB H 1.5080 0.0000 1 818 71 73 ALA C C 178.0980 0.0000 1 819 71 73 ALA CA C 53.5430 0.0000 1 820 71 73 ALA CB C 19.3140 0.0000 1 821 71 73 ALA N N 119.0740 0.0000 1 822 72 74 GLY H H 7.6650 0.0000 1 823 72 74 GLY HA2 H 4.4700 0.0000 2 824 72 74 GLY HA3 H 3.5850 0.0000 2 825 72 74 GLY C C 173.7150 0.0000 1 826 72 74 GLY CA C 44.9860 0.0000 1 827 72 74 GLY N N 106.1370 0.0000 1 828 73 75 ASP H H 7.7960 0.0000 1 829 73 75 ASP HA H 4.6500 0.0000 1 830 73 75 ASP HB2 H 2.6910 0.0000 2 831 73 75 ASP HB3 H 2.4830 0.0000 2 832 73 75 ASP C C 173.8810 0.0000 1 833 73 75 ASP CA C 53.5430 0.0000 1 834 73 75 ASP CB C 41.3180 0.0000 1 835 73 75 ASP N N 119.5370 0.0000 1 836 74 76 THR H H 8.0820 0.0000 1 837 74 76 THR HA H 5.2640 0.0000 1 838 74 76 THR HB H 3.8330 0.0000 1 839 74 76 THR HG2 H 1.0290 0.0000 1 840 74 76 THR C C 174.3950 0.0000 1 841 74 76 THR CA C 59.6550 0.0000 1 842 74 76 THR CB C 72.4910 0.0000 1 843 74 76 THR CG2 C 22.3700 0.0000 1 844 74 76 THR N N 110.6510 0.0000 1 845 75 77 THR H H 8.4050 0.0000 1 846 75 77 THR HA H 4.2280 0.0000 1 847 75 77 THR HB H 3.5120 0.0000 1 848 75 77 THR HG2 H 0.4920 0.0000 1 849 75 77 THR C C 171.9150 0.0000 1 850 75 77 THR CA C 61.4880 0.0000 1 851 75 77 THR CB C 71.2680 0.0000 1 852 75 77 THR CG2 C 23.5930 0.0000 1 853 75 77 THR N N 119.8610 0.0000 1 854 76 78 ASN H H 8.7090 0.0000 1 855 76 78 ASN HA H 5.1560 0.0000 1 856 76 78 ASN HB2 H 2.5040 0.0000 1 857 76 78 ASN HB3 H 2.6130 0.0000 1 858 76 78 ASN HD21 H 7.1470 0.0000 2 859 76 78 ASN HD22 H 6.7660 0.0000 2 860 76 78 ASN C C 173.8590 0.0000 1 861 76 78 ASN CA C 52.3200 0.0000 1 862 76 78 ASN CB C 40.0960 0.0000 1 863 76 78 ASN N N 126.8650 0.0000 1 864 76 78 ASN ND2 N 111.6170 0.0000 1 865 77 79 PHE H H 9.1170 0.0000 1 866 77 79 PHE HA H 5.0430 0.0000 1 867 77 79 PHE HB2 H 2.5990 0.0000 1 868 77 79 PHE HB3 H 2.8460 0.0000 1 869 77 79 PHE HD1 H 6.7900 0.0000 3 870 77 79 PHE HE1 H 6.6920 0.0000 3 871 77 79 PHE HZ H 6.7740 0.0000 1 872 77 79 PHE C C 173.9840 0.0000 1 873 77 79 PHE CA C 56.5990 0.0000 1 874 77 79 PHE CB C 41.9300 0.0000 1 875 77 79 PHE CD1 C 131.1670 0.0000 3 876 77 79 PHE CE1 C 130.5560 0.0000 3 877 77 79 PHE CZ C 128.7230 0.0000 1 878 77 79 PHE N N 122.1470 0.0000 1 879 78 80 HIS H H 9.0440 0.0000 1 880 78 80 HIS HA H 5.4790 0.0000 1 881 78 80 HIS HB2 H 3.1690 0.0000 1 882 78 80 HIS HB3 H 3.1030 0.0000 1 883 78 80 HIS HD2 H 7.1390 0.0000 1 884 78 80 HIS HE1 H 7.7410 0.0000 1 885 78 80 HIS C C 174.3820 0.0000 1 886 78 80 HIS CA C 52.9310 0.0000 1 887 78 80 HIS CB C 33.3730 0.0000 1 888 78 80 HIS CD2 C 116.4980 0.0000 1 889 78 80 HIS CE1 C 138.2460 0.0000 1 890 78 80 HIS N N 124.1670 0.0000 1 891 79 81 PHE H H 9.1730 0.0000 1 892 79 81 PHE HA H 4.3530 0.0000 1 893 79 81 PHE HB2 H 3.2830 0.0000 1 894 79 81 PHE HB3 H 3.0460 0.0000 1 895 79 81 PHE HD1 H 7.5040 0.0000 3 896 79 81 PHE HE1 H 7.1960 0.0000 3 897 79 81 PHE HZ H 6.8960 0.0000 1 898 79 81 PHE C C 173.0710 0.0000 1 899 79 81 PHE CA C 59.0440 0.0000 1 900 79 81 PHE CB C 37.6510 0.0000 1 901 79 81 PHE CD1 C 133.0010 0.0000 3 902 79 81 PHE CE1 C 130.5560 0.0000 3 903 79 81 PHE CZ C 127.5000 0.0000 1 904 79 81 PHE N N 132.1990 0.0000 1 905 80 82 SER H H 7.8920 0.0000 1 906 80 82 SER HA H 4.0670 0.0000 1 907 80 82 SER HB2 H 2.8230 0.0000 1 908 80 82 SER HB3 H 3.8840 0.0000 1 909 80 82 SER C C 174.6570 0.0000 1 910 80 82 SER CA C 59.0440 0.0000 1 911 80 82 SER CB C 65.1560 0.0000 1 912 80 82 SER N N 121.2680 0.0000 1 913 81 83 ASN H H 9.1630 0.0000 1 914 81 83 ASN HA H 4.7770 0.0000 1 915 81 83 ASN HB2 H 3.2610 0.0000 1 916 81 83 ASN HB3 H 2.6350 0.0000 1 917 81 83 ASN HD21 H 8.3580 0.0000 2 918 81 83 ASN HD22 H 6.8520 0.0000 2 919 81 83 ASN C C 175.2390 0.0000 1 920 81 83 ASN CA C 53.5430 0.0000 1 921 81 83 ASN CB C 38.8740 0.0000 1 922 81 83 ASN N N 125.5830 0.0000 1 923 81 83 ASN ND2 N 117.1550 0.0000 1 924 82 84 GLU H H 8.7410 0.0000 1 925 82 84 GLU HA H 4.0290 0.0000 1 926 82 84 GLU HB2 H 2.1690 0.0000 2 927 82 84 GLU HG2 H 2.4780 0.0000 2 928 82 84 GLU HG3 H 2.4040 0.0000 2 929 82 84 GLU C C 178.2060 0.0000 1 930 82 84 GLU CA C 60.2660 0.0000 1 931 82 84 GLU CB C 29.7050 0.0000 1 932 82 84 GLU CG C 36.4290 0.0000 1 933 82 84 GLU N N 127.6510 0.0000 1 934 83 85 SER H H 8.6320 0.0000 1 935 83 85 SER HA H 4.4200 0.0000 1 936 83 85 SER HB2 H 4.0040 0.0000 2 937 83 85 SER C C 176.2430 0.0000 1 938 83 85 SER CA C 60.8770 0.0000 1 939 83 85 SER CB C 63.3220 0.0000 1 940 83 85 SER N N 113.2830 0.0000 1 941 84 86 THR H H 7.3520 0.0000 1 942 84 86 THR HA H 4.6610 0.0000 1 943 84 86 THR HB H 4.5800 0.0000 1 944 84 86 THR HG2 H 1.1110 0.0000 1 945 84 86 THR C C 174.9770 0.0000 1 946 84 86 THR CA C 61.4880 0.0000 1 947 84 86 THR CB C 69.4350 0.0000 1 948 84 86 THR CG2 C 21.7590 0.0000 1 949 84 86 THR N N 109.8420 0.0000 1 950 85 87 ALA H H 7.6700 0.0000 1 951 85 87 ALA HA H 4.2290 0.0000 1 952 85 87 ALA HB H 1.5200 0.0000 1 953 85 87 ALA C C 178.8140 0.0000 1 954 85 87 ALA CA C 55.9870 0.0000 1 955 85 87 ALA CB C 19.9260 0.0000 1 956 85 87 ALA N N 126.5640 0.0000 1 957 86 88 VAL H H 8.2610 0.0000 1 958 86 88 VAL HA H 3.3900 0.0000 1 959 86 88 VAL HB H 1.9690 0.0000 1 960 86 88 VAL HG1 H 0.9140 0.0000 1 961 86 88 VAL HG2 H 1.0660 0.0000 1 962 86 88 VAL C C 177.7210 0.0000 1 963 86 88 VAL CA C 66.9900 0.0000 1 964 86 88 VAL CB C 31.5390 0.0000 1 965 86 88 VAL CG1 C 21.1480 0.0000 1 966 86 88 VAL CG2 C 23.5930 0.0000 1 967 86 88 VAL N N 116.5140 0.0000 1 968 87 89 LYS H H 7.5810 0.0000 1 969 87 89 LYS HA H 4.1050 0.0000 1 970 87 89 LYS HB2 H 1.9280 0.0000 2 971 87 89 LYS HB3 H 1.8630 0.0000 2 972 87 89 LYS HG2 H 1.5570 0.0000 2 973 87 89 LYS HG3 H 1.4830 0.0000 2 974 87 89 LYS HD2 H 1.7940 0.0000 2 975 87 89 LYS HE2 H 3.0810 0.0000 2 976 87 89 LYS C C 180.3930 0.0000 1 977 87 89 LYS CA C 59.0440 0.0000 1 978 87 89 LYS CB C 32.1500 0.0000 1 979 87 89 LYS CG C 24.8160 0.0000 1 980 87 89 LYS CD C 29.0940 0.0000 1 981 87 89 LYS CE C 41.9300 0.0000 1 982 87 89 LYS N N 120.9300 0.0000 1 983 88 90 GLU H H 8.4870 0.0000 1 984 88 90 GLU HA H 3.9980 0.0000 1 985 88 90 GLU HB2 H 1.9720 0.0000 1 986 88 90 GLU HB3 H 2.4250 0.0000 1 987 88 90 GLU HG2 H 2.5970 0.0000 2 988 88 90 GLU HG3 H 2.3020 0.0000 2 989 88 90 GLU C C 177.6720 0.0000 1 990 88 90 GLU CA C 59.0440 0.0000 1 991 88 90 GLU CB C 30.3170 0.0000 1 992 88 90 GLU CG C 37.0400 0.0000 1 993 88 90 GLU N N 122.3540 0.0000 1 994 89 91 ARG H H 8.2700 0.0000 1 995 89 91 ARG HA H 2.7940 0.0000 1 996 89 91 ARG HB2 H 1.6600 0.0000 1 997 89 91 ARG HB3 H 0.6140 0.0000 1 998 89 91 ARG HG2 H 1.3740 0.0000 2 999 89 91 ARG HG3 H 1.2540 0.0000 2 1000 89 91 ARG HD2 H 3.2120 0.0000 2 1001 89 91 ARG HD3 H 2.8180 0.0000 2 1002 89 91 ARG C C 178.7770 0.0000 1 1003 89 91 ARG CA C 59.6550 0.0000 1 1004 89 91 ARG CB C 27.8720 0.0000 1 1005 89 91 ARG CG C 26.6490 0.0000 1 1006 89 91 ARG CD C 42.5410 0.0000 1 1007 89 91 ARG N N 121.1990 0.0000 1 1008 90 92 ASP H H 8.2760 0.0000 1 1009 90 92 ASP HA H 4.3220 0.0000 1 1010 90 92 ASP HB2 H 2.6310 0.0000 1 1011 90 92 ASP HB3 H 2.7560 0.0000 1 1012 90 92 ASP C C 177.5540 0.0000 1 1013 90 92 ASP CA C 57.2100 0.0000 1 1014 90 92 ASP CB C 39.4850 0.0000 1 1015 90 92 ASP N N 120.7610 0.0000 1 1016 91 93 ALA H H 7.7870 0.0000 1 1017 91 93 ALA HA H 4.1830 0.0000 1 1018 91 93 ALA HB H 1.5440 0.0000 1 1019 91 93 ALA C C 181.0480 0.0000 1 1020 91 93 ALA CA C 55.3760 0.0000 1 1021 91 93 ALA CB C 18.0920 0.0000 1 1022 91 93 ALA N N 124.2390 0.0000 1 1023 92 94 VAL H H 7.9360 0.0000 1 1024 92 94 VAL HA H 3.4370 0.0000 1 1025 92 94 VAL HB H 2.2740 0.0000 1 1026 92 94 VAL HG1 H 1.0320 0.0000 1 1027 92 94 VAL HG2 H 1.1790 0.0000 1 1028 92 94 VAL C C 176.7180 0.0000 1 1029 92 94 VAL CA C 66.9900 0.0000 1 1030 92 94 VAL CB C 31.5390 0.0000 1 1031 92 94 VAL CG1 C 22.3700 0.0000 1 1032 92 94 VAL CG2 C 24.2040 0.0000 1 1033 92 94 VAL N N 120.6920 0.0000 1 1034 93 95 LYS H H 8.7360 0.0000 1 1035 93 95 LYS HA H 4.6440 0.0000 1 1036 93 95 LYS HB2 H 1.9370 0.0000 1 1037 93 95 LYS HB3 H 1.7510 0.0000 1 1038 93 95 LYS HG2 H 1.4670 0.0000 2 1039 93 95 LYS HG3 H 1.3870 0.0000 2 1040 93 95 LYS HD2 H 1.5330 0.0000 2 1041 93 95 LYS HE2 H 2.9160 0.0000 2 1042 93 95 LYS HE3 H 2.8980 0.0000 2 1043 93 95 LYS C C 179.6290 0.0000 1 1044 93 95 LYS CA C 58.4320 0.0000 1 1045 93 95 LYS CB C 32.1500 0.0000 1 1046 93 95 LYS CG C 23.5930 0.0000 1 1047 93 95 LYS CD C 29.0940 0.0000 1 1048 93 95 LYS CE C 41.9300 0.0000 1 1049 93 95 LYS N N 122.4150 0.0000 1 1050 94 96 ASP H H 8.5530 0.0000 1 1051 94 96 ASP HA H 4.3690 0.0000 1 1052 94 96 ASP HB2 H 2.5770 0.0000 1 1053 94 96 ASP HB3 H 2.7750 0.0000 1 1054 94 96 ASP C C 179.3480 0.0000 1 1055 94 96 ASP CA C 57.2100 0.0000 1 1056 94 96 ASP CB C 40.7070 0.0000 1 1057 94 96 ASP N N 120.9320 0.0000 1 1058 95 97 LEU H H 7.5980 0.0000 1 1059 95 97 LEU HA H 4.2090 0.0000 1 1060 95 97 LEU HB2 H 1.8200 0.0000 2 1061 95 97 LEU HB3 H 1.4810 0.0000 2 1062 95 97 LEU HG H 1.7170 0.0000 1 1063 95 97 LEU HD1 H 0.9120 0.0000 2 1064 95 97 LEU HD2 H 0.8970 0.0000 2 1065 95 97 LEU C C 179.9150 0.0000 1 1066 95 97 LEU CA C 57.8210 0.0000 1 1067 95 97 LEU CB C 41.9300 0.0000 1 1068 95 97 LEU CG C 27.8720 0.0000 1 1069 95 97 LEU CD1 C 25.4270 0.0000 2 1070 95 97 LEU CD2 C 24.8160 0.0000 2 1071 95 97 LEU N N 122.4070 0.0000 1 1072 96 98 LEU H H 8.9090 0.0000 1 1073 96 98 LEU HA H 3.8050 0.0000 1 1074 96 98 LEU HB2 H 1.1060 0.0000 1 1075 96 98 LEU HB3 H 2.1720 0.0000 1 1076 96 98 LEU HG H 1.8310 0.0000 1 1077 96 98 LEU HD1 H 0.8420 0.0000 1 1078 96 98 LEU HD2 H 0.7830 0.0000 1 1079 96 98 LEU C C 178.7400 0.0000 1 1080 96 98 LEU CA C 59.0440 0.0000 1 1081 96 98 LEU CB C 41.3180 0.0000 1 1082 96 98 LEU CG C 27.2600 0.0000 1 1083 96 98 LEU CD1 C 27.2600 0.0000 1 1084 96 98 LEU CD2 C 24.2040 0.0000 1 1085 96 98 LEU N N 120.8820 0.0000 1 1086 97 99 GLN H H 8.3830 0.0000 1 1087 97 99 GLN HA H 4.0640 0.0000 1 1088 97 99 GLN HB2 H 2.2820 0.0000 2 1089 97 99 GLN HB3 H 2.1310 0.0000 2 1090 97 99 GLN HG2 H 2.5260 0.0000 2 1091 97 99 GLN HG3 H 2.4200 0.0000 2 1092 97 99 GLN HE21 H 7.4670 0.0000 2 1093 97 99 GLN HE22 H 6.8880 0.0000 2 1094 97 99 GLN C C 177.7890 0.0000 1 1095 97 99 GLN CA C 58.4320 0.0000 1 1096 97 99 GLN CB C 28.4830 0.0000 1 1097 97 99 GLN CG C 33.9840 0.0000 1 1098 97 99 GLN N N 118.2490 0.0000 1 1099 97 99 GLN NE2 N 112.6440 0.0000 1 1100 98 100 GLN H H 7.2710 0.0000 1 1101 98 100 GLN HA H 4.2820 0.0000 1 1102 98 100 GLN HB2 H 2.2100 0.0000 1 1103 98 100 GLN HB3 H 2.2500 0.0000 1 1104 98 100 GLN HG2 H 2.5730 0.0000 2 1105 98 100 GLN HG3 H 2.3920 0.0000 2 1106 98 100 GLN HE21 H 7.2860 0.0000 2 1107 98 100 GLN HE22 H 6.7770 0.0000 2 1108 98 100 GLN C C 178.1040 0.0000 1 1109 98 100 GLN CA C 57.2100 0.0000 1 1110 98 100 GLN CB C 29.7050 0.0000 1 1111 98 100 GLN CG C 33.9840 0.0000 1 1112 98 100 GLN N N 116.0570 0.0000 1 1113 98 100 GLN NE2 N 113.0700 0.0000 1 1114 99 101 LEU H H 8.1690 0.0000 1 1115 99 101 LEU HA H 4.1550 0.0000 1 1116 99 101 LEU HB2 H 0.7870 0.0000 1 1117 99 101 LEU HB3 H 1.1300 0.0000 1 1118 99 101 LEU HG H 1.6630 0.0000 1 1119 99 101 LEU HD1 H 0.6330 0.0000 1 1120 99 101 LEU HD2 H 0.9220 0.0000 1 1121 99 101 LEU C C 178.1990 0.0000 1 1122 99 101 LEU CA C 57.2100 0.0000 1 1123 99 101 LEU CB C 43.1520 0.0000 1 1124 99 101 LEU CG C 26.6490 0.0000 1 1125 99 101 LEU CD1 C 26.0380 0.0000 1 1126 99 101 LEU CD2 C 22.3700 0.0000 1 1127 99 101 LEU N N 121.9060 0.0000 1 1128 100 102 LEU H H 8.7250 0.0000 1 1129 100 102 LEU HA H 4.0870 0.0000 1 1130 100 102 LEU HB2 H 1.5240 0.0000 1 1131 100 102 LEU HB3 H 2.0420 0.0000 1 1132 100 102 LEU HG H 1.9570 0.0000 1 1133 100 102 LEU HD1 H 0.7830 0.0000 1 1134 100 102 LEU HD2 H 0.9130 0.0000 1 1135 100 102 LEU C C 177.7230 0.0000 1 1136 100 102 LEU CA C 60.2660 0.0000 1 1137 100 102 LEU CB C 37.6510 0.0000 1 1138 100 102 LEU CG C 27.2600 0.0000 1 1139 100 102 LEU CD1 C 24.8160 0.0000 1 1140 100 102 LEU CD2 C 23.5930 0.0000 1 1141 100 102 LEU N N 118.6040 0.0000 1 1142 101 103 PRO HA H 4.3340 0.0000 1 1143 101 103 PRO HB2 H 2.3780 0.0000 2 1144 101 103 PRO HB3 H 1.8160 0.0000 2 1145 101 103 PRO HG2 H 2.1270 0.0000 2 1146 101 103 PRO HG3 H 2.0080 0.0000 2 1147 101 103 PRO HD2 H 3.6340 0.0000 2 1148 101 103 PRO HD3 H 3.3860 0.0000 2 1149 101 103 PRO C C 178.5660 0.0000 1 1150 101 103 PRO CA C 65.7670 0.0000 1 1151 101 103 PRO CB C 30.9280 0.0000 1 1152 101 103 PRO CG C 27.8720 0.0000 1 1153 101 103 PRO CD C 51.0980 0.0000 1 1154 102 104 LYS H H 7.1560 0.0000 1 1155 102 104 LYS HA H 3.9680 0.0000 1 1156 102 104 LYS HB2 H 1.8310 0.0000 2 1157 102 104 LYS HB3 H 1.6520 0.0000 2 1158 102 104 LYS HG2 H 1.3800 0.0000 2 1159 102 104 LYS HG3 H 0.9150 0.0000 2 1160 102 104 LYS HD2 H 1.6220 0.0000 2 1161 102 104 LYS HD3 H 1.5780 0.0000 2 1162 102 104 LYS HE2 H 2.8960 0.0000 2 1163 102 104 LYS C C 177.1800 0.0000 1 1164 102 104 LYS CA C 58.4320 0.0000 1 1165 102 104 LYS CB C 32.1500 0.0000 1 1166 102 104 LYS CG C 24.8160 0.0000 1 1167 102 104 LYS CD C 29.0940 0.0000 1 1168 102 104 LYS CE C 41.9300 0.0000 1 1169 102 104 LYS N N 117.1300 0.0000 1 1170 103 105 PHE H H 7.4180 0.0000 1 1171 103 105 PHE HA H 4.6290 0.0000 1 1172 103 105 PHE HB2 H 3.4690 0.0000 1 1173 103 105 PHE HB3 H 2.4930 0.0000 1 1174 103 105 PHE HD1 H 7.5970 0.0000 3 1175 103 105 PHE HE1 H 7.5560 0.0000 3 1176 103 105 PHE HZ H 7.5540 0.0000 1 1177 103 105 PHE C C 174.4210 0.0000 1 1178 103 105 PHE CA C 57.8210 0.0000 1 1179 103 105 PHE CB C 40.7070 0.0000 1 1180 103 105 PHE CD1 C 133.0010 0.0000 3 1181 103 105 PHE CE1 C 131.7790 0.0000 3 1182 103 105 PHE CZ C 131.7790 0.0000 1 1183 103 105 PHE N N 116.5450 0.0000 1 1184 104 106 LYS H H 7.0990 0.0000 1 1185 104 106 LYS HA H 4.4310 0.0000 1 1186 104 106 LYS HB2 H 1.8790 0.0000 2 1187 104 106 LYS HG2 H 1.5720 0.0000 2 1188 104 106 LYS HD2 H 1.7870 0.0000 2 1189 104 106 LYS HE2 H 3.0810 0.0000 2 1190 104 106 LYS C C 176.7450 0.0000 1 1191 104 106 LYS CA C 56.5990 0.0000 1 1192 104 106 LYS CB C 33.3730 0.0000 1 1193 104 106 LYS CG C 24.2040 0.0000 1 1194 104 106 LYS CD C 29.0940 0.0000 1 1195 104 106 LYS CE C 41.9300 0.0000 1 1196 104 106 LYS N N 122.1220 0.0000 1 1197 105 107 ARG H H 8.6540 0.0000 1 1198 105 107 ARG HA H 4.3370 0.0000 1 1199 105 107 ARG HB2 H 1.8260 0.0000 2 1200 105 107 ARG HB3 H 1.7670 0.0000 2 1201 105 107 ARG HG2 H 1.7510 0.0000 2 1202 105 107 ARG HG3 H 1.6840 0.0000 2 1203 105 107 ARG HD2 H 3.1270 0.0000 2 1204 105 107 ARG HD3 H 3.0120 0.0000 2 1205 105 107 ARG C C 176.3510 0.0000 1 1206 105 107 ARG CA C 55.9870 0.0000 1 1207 105 107 ARG CB C 30.9280 0.0000 1 1208 105 107 ARG CG C 27.2600 0.0000 1 1209 105 107 ARG CD C 43.1520 0.0000 1 1210 105 107 ARG N N 126.1730 0.0000 1 1211 106 108 LYS H H 8.4300 0.0000 1 1212 106 108 LYS HA H 4.3230 0.0000 1 1213 106 108 LYS HB2 H 1.8690 0.0000 2 1214 106 108 LYS HB3 H 1.7770 0.0000 2 1215 106 108 LYS HG2 H 1.4830 0.0000 2 1216 106 108 LYS HD2 H 1.7120 0.0000 2 1217 106 108 LYS HE2 H 3.0220 0.0000 2 1218 106 108 LYS C C 175.9730 0.0000 1 1219 106 108 LYS CA C 55.9870 0.0000 1 1220 106 108 LYS CB C 33.3730 0.0000 1 1221 106 108 LYS CG C 24.8160 0.0000 1 1222 106 108 LYS CD C 28.4830 0.0000 1 1223 106 108 LYS CE C 41.9300 0.0000 1 1224 106 108 LYS N N 124.7640 0.0000 1 1225 107 109 ALA H H 8.3530 0.0000 1 1226 107 109 ALA HA H 4.3440 0.0000 1 1227 107 109 ALA HB H 1.3880 0.0000 1 1228 107 109 ALA C C 176.3950 0.0000 1 1229 107 109 ALA CA C 52.3200 0.0000 1 1230 107 109 ALA CB C 19.3140 0.0000 1 1231 107 109 ALA N N 127.3340 0.0000 1 1232 108 110 ASN H H 7.9340 0.0000 1 1233 108 110 ASN HA H 4.4360 0.0000 1 1234 108 110 ASN HB2 H 2.7570 0.0000 2 1235 108 110 ASN HB3 H 2.6930 0.0000 2 1236 108 110 ASN HD21 H 7.4760 0.0000 2 1237 108 110 ASN HD22 H 6.7670 0.0000 2 1238 108 110 ASN C C 179.4200 0.0000 1 1239 108 110 ASN CA C 54.7650 0.0000 1 1240 108 110 ASN CB C 40.0960 0.0000 1 1241 108 110 ASN N N 124.4050 0.0000 1 1242 108 110 ASN ND2 N 113.7520 0.0000 1 stop_ save_