data_30002 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of p53TAD-TAZ1 ; _BMRB_accession_number 30002 _BMRB_flat_file_name bmr30002.str _Entry_type original _Submission_date 2016-01-19 _Accession_date 2016-01-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krois A. S. . 2 Ferreon J. C. . 3 Martinez-Yamout M. A. . 4 Dyson H. J. . 5 Wright P. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 988 "13C chemical shifts" 531 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-03-14 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 30003 'Solution Structure of TAZ2-p53TAD' 30004 'Solution Structure of TAZ2-p53AD2' stop_ _Original_release_date 2016-03-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Recognition of the Disordered p53 Transactivation Domain by the Transcriptional Adapter Zinc Finger Domains of CREB-Binding Protein ; _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krois A. S. . 2 Ferreon J. C. . 3 Martinez-Yamout M. A. . 4 Dyson H. J. . 5 Wright P. E. . stop_ _Journal_abbreviation 'to be published' _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cellular tumor antigen p53,CREB-binding protein (E.C.2.3.1.48)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'entity ZN, 1' $entity_ZN 'entity ZN, 2' $entity_ZN 'entity ZN, 3' $entity_ZN 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 'Cellular tumor antigen p53,CREB-binding protein fusion protein' _Molecular_mass 19112.639 _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; GSHMEEPQSDPSVEPPLSQE TFSDLWKLLPENNVLSPLPS QAMDDLMLSPDDIEQWFTED PGPDGSCFNGTATGPTADPE KRKLIQQQLVLLLHAHKCQR REQANGEVRACSLPHCRTMK NVLNHMTHCQAGKACQVAHC ASSRQIISHWKNCTRHDCPV CLPLKNASDKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 HIS 4 1001 MET 5 1002 GLU 6 1003 GLU 7 1004 PRO 8 1005 GLN 9 1006 SER 10 1007 ASP 11 1008 PRO 12 1009 SER 13 1010 VAL 14 1011 GLU 15 1012 PRO 16 1013 PRO 17 1014 LEU 18 1015 SER 19 1016 GLN 20 1017 GLU 21 1018 THR 22 1019 PHE 23 1020 SER 24 1021 ASP 25 1022 LEU 26 1023 TRP 27 1024 LYS 28 1025 LEU 29 1026 LEU 30 1027 PRO 31 1028 GLU 32 1029 ASN 33 1030 ASN 34 1031 VAL 35 1032 LEU 36 1033 SER 37 1034 PRO 38 1035 LEU 39 1036 PRO 40 1037 SER 41 1038 GLN 42 1039 ALA 43 1040 MET 44 1041 ASP 45 1042 ASP 46 1043 LEU 47 1044 MET 48 1045 LEU 49 1046 SER 50 1047 PRO 51 1048 ASP 52 1049 ASP 53 1050 ILE 54 1051 GLU 55 1052 GLN 56 1053 TRP 57 1054 PHE 58 1055 THR 59 1056 GLU 60 1057 ASP 61 1058 PRO 62 1059 GLY 63 1060 PRO 64 1061 ASP 65 2001 GLY 66 2002 SER 67 2003 CYS 68 2004 PHE 69 2005 ASN 70 2006 GLY 71 2007 THR 72 3340 ALA 73 3341 THR 74 3342 GLY 75 3343 PRO 76 3344 THR 77 3345 ALA 78 3346 ASP 79 3347 PRO 80 3348 GLU 81 3349 LYS 82 3350 ARG 83 3351 LYS 84 3352 LEU 85 3353 ILE 86 3354 GLN 87 3355 GLN 88 3356 GLN 89 3357 LEU 90 3358 VAL 91 3359 LEU 92 3360 LEU 93 3361 LEU 94 3362 HIS 95 3363 ALA 96 3364 HIS 97 3365 LYS 98 3366 CYS 99 3367 GLN 100 3368 ARG 101 3369 ARG 102 3370 GLU 103 3371 GLN 104 3372 ALA 105 3373 ASN 106 3374 GLY 107 3375 GLU 108 3376 VAL 109 3377 ARG 110 3378 ALA 111 3379 CYS 112 3380 SER 113 3381 LEU 114 3382 PRO 115 3383 HIS 116 3384 CYS 117 3385 ARG 118 3386 THR 119 3387 MET 120 3388 LYS 121 3389 ASN 122 3390 VAL 123 3391 LEU 124 3392 ASN 125 3393 HIS 126 3394 MET 127 3395 THR 128 3396 HIS 129 3397 CYS 130 3398 GLN 131 3399 ALA 132 3400 GLY 133 3401 LYS 134 3402 ALA 135 3403 CYS 136 3404 GLN 137 3405 VAL 138 3406 ALA 139 3407 HIS 140 3408 CYS 141 3409 ALA 142 3410 SER 143 3411 SER 144 3412 ARG 145 3413 GLN 146 3414 ILE 147 3415 ILE 148 3416 SER 149 3417 HIS 150 3418 TRP 151 3419 LYS 152 3420 ASN 153 3421 CYS 154 3422 THR 155 3423 ARG 156 3424 HIS 157 3425 ASP 158 3426 CYS 159 3427 PRO 160 3428 VAL 161 3429 CYS 162 3430 LEU 163 3431 PRO 164 3432 LEU 165 3433 LYS 166 3434 ASN 167 3435 ALA 168 3436 SER 169 3437 ASP 170 3438 LYS 171 3439 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _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 ZN ZN ZN . 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 'TP53, P53' $entity_1 Mouse 10090 Eukaryota Metazoa Mus musculus 'Crebbp, Cbp' 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 'BL21 (DE3) [DNAY]' plasmid pET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.0 mM [U-15N] p53TAD - [NA] TAZ1 p53TAD-TAZ1 fusion protein, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 5 % [U-2H] D2O, 95% H2O, 5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 5 % [U-2H] DTT 2 mM 'natural abundance' TRIS 20 mM 'natural abundance' $entity_1 1.0 mM '[U-15N] p53TAD - [NA] TAZ1' 'sodium chloride' 50 mM 'natural abundance' H2O 95 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 1.0 mM [U-15N][U-13C] p53TAD - [NA] TAZ1 p53TAD-TAZ1 fusion protein, 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 99 % [U-2H] DTT 2 mM [U-2H] TRIS 20 mM [U-2H] $entity_1 1.0 mM '[U-15N][U-13C] p53TAD - [NA] TAZ1' 'sodium chloride' 50 mM 'natural abundance' H2O 1 % [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 1.0 mM [NA] p53TAD - [U-15N] TAZ1 p53TAD-TAZ1 fusion protein, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 5 % [U-2H] D2O, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 5 % [U-2H] DTT 2 mM 'natural abundance' TRIS 20 mM 'natural abundance' $entity_1 1.0 mM '[NA] p53TAD - [U-15N] TAZ1' 'sodium chloride' 50 mM 'natural abundance' H2O 95 % [U-2H] stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 1.0 mM [NA] p53TAD - [U-15N][U-13C] TAZ1 p53TAD-TAZ1 fusion protein, 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 99 % [U-2H] DTT 2 mM [U-2H] TRIS 20 mM [U-2H] $entity_1 1.0 mM '[NA] p53TAD - [U-15N][U-13C] TAZ1' 'sodium chloride' 50 mM 'natural abundance' D2O 1 % [U-2H] stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details ; 1.0 mM [U-15N][U-13C] p53TAD - [NA] TAZ1 p53TAD-TAZ1 fusion protein, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 5 % [U-2H] D2O, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 5 % [U-2H] DTT 2 mM 'natural abundance' TRIS 20 mM 'natural abundance' $entity_1 1.0 mM '[U-15N][U-13C] p53TAD - [NA] TAZ1' 'sodium chloride' 50 mM 'natural abundance' H2O 95 % [U-2H] stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [NA] p53TAD - [U-15N][U-13C] TAZ1 p53TAD-TAZ1 fusion protein, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 5 % [U-2H] D2O, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 5 % [U-2H] DTT 2 mM 'natural abundance' TRIS 20 mM 'natural abundance' $entity_1 1 mM '[NA] p53TAD - [U-15N][U-13C] TAZ1' 'sodium chloride' 50 mM 'natural abundance' H2O 95 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version 12 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.04 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 PSVS _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_5 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_5 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_6 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_6 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_5 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_6 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.8 . pH pressure 1 . atm temperature 308 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.4 . pD pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'External DSS sample' 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.00000000 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCACB' '3D HN(CO)CA' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 $sample_6 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 1 1 GLY CA C 43.39 . 1 2 1 1 GLY HA2 H 3.871 . 1 3 1 1 GLY HA3 H 3.871 . 1 4 3 3 HIS CA C 55.89 . 1 5 3 3 HIS CB C 29.952 . 1 6 3 3 HIS CD2 C 119.953 . 1 7 3 3 HIS CE1 C 137.452 . 1 8 3 3 HIS HA H 4.665 . 1 9 3 3 HIS HB2 H 3.207 . 2 10 3 3 HIS HB3 H 3.133 . 2 11 3 3 HIS HD2 H 7.144 . . 12 3 3 HIS HE1 H 8.222 . 1 13 1001 4 MET CE C 16.827 . 1 14 1001 4 MET HA H 4.429 . 1 15 1001 4 MET HE H 2.079 . 1 16 1002 5 GLU H H 8.359 . 1 17 1002 5 GLU HA H 4.287 . 1 18 1002 5 GLU HB2 H 1.907 . 2 19 1002 5 GLU HB3 H 2.043 . 2 20 1002 5 GLU HG2 H 2.245 . 1 21 1002 5 GLU HG3 H 2.245 . 1 22 1002 5 GLU N N 121.794 . 1 23 1003 6 GLU H H 8.3 . 1 24 1003 6 GLU HA H 4.57 . 1 25 1003 6 GLU HB2 H 2.047 . 2 26 1003 6 GLU HB3 H 1.894 . 2 27 1003 6 GLU HG2 H 2.275 . 1 28 1003 6 GLU HG3 H 2.275 . 1 29 1003 6 GLU N N 123.194 . 1 30 1004 7 PRO CA C 63.702 . 1 31 1004 7 PRO CB C 32.14 . 1 32 1004 7 PRO CD C 50.265 . 1 33 1004 7 PRO CG C 27.14 . 1 34 1004 7 PRO HA H 4.419 . 1 35 1004 7 PRO HB2 H 2.278 . 2 36 1004 7 PRO HB3 H 1.954 . 2 37 1004 7 PRO HD2 H 3.8 . 2 38 1004 7 PRO HD3 H 3.7 . 2 39 1004 7 PRO HG2 H 1.995 . 1 40 1004 7 PRO HG3 H 1.995 . 1 41 1005 8 GLN CA C 55.577 . 1 42 1005 8 GLN CB C 29.64 . 1 43 1005 8 GLN CG C 33.703 . 1 44 1005 8 GLN H H 8.467 . 1 45 1005 8 GLN HA H 4.341 . 1 46 1005 8 GLN HB2 H 1.989 . 2 47 1005 8 GLN HB3 H 2.122 . 2 48 1005 8 GLN HE21 H 7.479 . 2 49 1005 8 GLN HE22 H 6.79 . 2 50 1005 8 GLN HG2 H 2.373 . 1 51 1005 8 GLN HG3 H 2.373 . 1 52 1005 8 GLN N N 120.594 . 1 53 1005 8 GLN NE2 N 111.994 . 1 54 1006 9 SER CA C 58.077 . 1 55 1006 9 SER CB C 64.015 . 1 56 1006 9 SER H H 8.288 . 1 57 1006 9 SER HA H 4.426 . 1 58 1006 9 SER HB2 H 3.814 . 1 59 1006 9 SER HB3 H 3.814 . 1 60 1006 9 SER N N 117.394 . 1 61 1007 10 ASP CA C 52.14 . 1 62 1007 10 ASP CB C 41.515 . 1 63 1007 10 ASP H H 8.334 . 1 64 1007 10 ASP HA H 4.9 . 1 65 1007 10 ASP HB2 H 2.543 . 2 66 1007 10 ASP HB3 H 2.777 . 2 67 1007 10 ASP N N 123.594 . 1 68 1008 11 PRO CA C 63.702 . 1 69 1008 11 PRO CB C 32.14 . 1 70 1008 11 PRO CD C 50.89 . 1 71 1008 11 PRO CG C 27.14 . 1 72 1008 11 PRO HA H 4.457 . 1 73 1008 11 PRO HB2 H 1.986 . 2 74 1008 11 PRO HB3 H 2.272 . 2 75 1008 11 PRO HD2 H 3.794 . 2 76 1008 11 PRO HD3 H 3.857 . 2 77 1008 11 PRO HG2 H 1.995 . 1 78 1008 11 PRO HG3 H 1.995 . 1 79 1009 12 SER CA C 59.015 . 1 80 1009 12 SER CB C 63.702 . 1 81 1009 12 SER H H 8.469 . 1 82 1009 12 SER HA H 4.382 . 1 83 1009 12 SER HB2 H 3.862 . 1 84 1009 12 SER HB3 H 3.862 . 1 85 1009 12 SER N N 115.794 . 1 86 1010 13 VAL CA C 61.827 . 1 87 1010 13 VAL CB C 32.765 . 1 88 1010 13 VAL CG1 C 20.577 . 2 89 1010 13 VAL CG2 C 21.202 . 2 90 1010 13 VAL H H 7.79 . 1 91 1010 13 VAL HA H 4.164 . 1 92 1010 13 VAL HB H 2.094 . 1 93 1010 13 VAL HG1 H 0.91 . 2 94 1010 13 VAL HG2 H 0.91 . 2 95 1010 13 VAL N N 120.794 . 1 96 1011 14 GLU CA C 54.327 . 1 97 1011 14 GLU CB C 29.952 . 1 98 1011 14 GLU CG C 35.89 . 1 99 1011 14 GLU H H 8.231 . 1 100 1011 14 GLU HA H 4.573 . 1 101 1011 14 GLU HB2 H 2.002 . 2 102 1011 14 GLU HB3 H 1.88 . 2 103 1011 14 GLU HG2 H 2.268 . 1 104 1011 14 GLU HG3 H 2.268 . 1 105 1011 14 GLU N N 125.594 . 1 106 1012 15 PRO CA C 61.515 . 1 107 1012 15 PRO CB C 30.89 . 1 108 1012 15 PRO CD C 50.265 . 1 109 1012 15 PRO CG C 27.14 . 1 110 1012 15 PRO HA H 4.664 . 1 111 1012 15 PRO HB2 H 1.888 . 2 112 1012 15 PRO HB3 H 2.314 . 2 113 1012 15 PRO HD2 H 3.623 . 2 114 1012 15 PRO HD3 H 3.806 . 2 115 1012 15 PRO HG2 H 1.996 . 1 116 1012 15 PRO HG3 H 1.996 . 1 117 1013 16 PRO CA C 63.077 . 1 118 1013 16 PRO CB C 31.827 . 1 119 1013 16 PRO CD C 50.577 . 1 120 1013 16 PRO CG C 27.452 . 1 121 1013 16 PRO HA H 4.434 . 1 122 1013 16 PRO HB2 H 1.907 . 2 123 1013 16 PRO HB3 H 2.246 . 2 124 1013 16 PRO HD2 H 3.666 . 2 125 1013 16 PRO HD3 H 3.768 . 2 126 1013 16 PRO HG2 H 1.995 . 1 127 1013 16 PRO HG3 H 1.995 . 1 128 1014 17 LEU CA C 55.265 . 1 129 1014 17 LEU CB C 42.453 . 1 130 1014 17 LEU CD1 C 25.265 . 2 131 1014 17 LEU CD2 C 23.702 . 2 132 1014 17 LEU CG C 27.14 . 1 133 1014 17 LEU H H 8.245 . 1 134 1014 17 LEU HA H 4.294 . 1 135 1014 17 LEU HB2 H 1.56 . 2 136 1014 17 LEU HB3 H 1.61 . 2 137 1014 17 LEU HD1 H 0.873 . 2 138 1014 17 LEU HD2 H 0.849 . 2 139 1014 17 LEU HG H 1.627 . 1 140 1014 17 LEU N N 121.794 . 1 141 1015 18 SER CA C 58.39 . 1 142 1015 18 SER CB C 64.015 . 1 143 1015 18 SER H H 8.231 . 1 144 1015 18 SER HA H 4.437 . 1 145 1015 18 SER HB2 H 3.845 . 2 146 1015 18 SER HB3 H 3.93 . 2 147 1015 18 SER N N 116.194 . 1 148 1016 19 GLN CA C 56.827 . 1 149 1016 19 GLN CB C 29.327 . 1 150 1016 19 GLN CG C 34.015 . 1 151 1016 19 GLN H H 8.478 . 1 152 1016 19 GLN HA H 4.288 . 1 153 1016 19 GLN HB2 H 2.129 . 2 154 1016 19 GLN HB3 H 1.989 . 2 155 1016 19 GLN HG2 H 2.328 . 1 156 1016 19 GLN HG3 H 2.328 . 1 157 1016 19 GLN N N 122.194 . 1 158 1017 20 GLU CA C 57.14 . 1 159 1017 20 GLU CB C 29.952 . 1 160 1017 20 GLU CG C 36.203 . 1 161 1017 20 GLU H H 8.442 . 1 162 1017 20 GLU HA H 4.277 . 1 163 1017 20 GLU HB2 H 1.97 . 2 164 1017 20 GLU HB3 H 1.937 . 2 165 1017 20 GLU HG2 H 2.189 . 1 166 1017 20 GLU HG3 H 2.189 . 1 167 1017 20 GLU N N 121.394 . 1 168 1018 21 THR CA C 62.765 . 1 169 1018 21 THR CB C 69.64 . 1 170 1018 21 THR CG2 C 21.515 . 1 171 1018 21 THR H H 8.052 . 1 172 1018 21 THR HA H 4.195 . 1 173 1018 21 THR HB H 4.099 . 1 174 1018 21 THR HG2 H 1.053 . 1 175 1018 21 THR N N 114.794 . 1 176 1019 22 PHE CA C 58.39 . 1 177 1019 22 PHE CB C 38.703 . 1 178 1019 22 PHE CD1 C 131.827 . 3 179 1019 22 PHE CE1 C 131.515 . 3 180 1019 22 PHE CZ C 129.64 . 1 181 1019 22 PHE H H 8.17 . 1 182 1019 22 PHE HA H 4.433 . 1 183 1019 22 PHE HB2 H 2.927 . 1 184 1019 22 PHE HB3 H 2.927 . 1 185 1019 22 PHE HD1 H 7.103 . 1 186 1019 22 PHE HD2 H 7.103 . 1 187 1019 22 PHE HE1 H 7.192 . 1 188 1019 22 PHE HE2 H 7.192 . 1 189 1019 22 PHE HZ H 7.142 . 1 190 1019 22 PHE N N 120.594 . 1 191 1020 23 SER CA C 59.952 . 1 192 1020 23 SER CB C 63.39 . 1 193 1020 23 SER H H 8.004 . 1 194 1020 23 SER HA H 4.191 . 1 195 1020 23 SER HB2 H 3.823 . 2 196 1020 23 SER HB3 H 3.909 . 2 197 1020 23 SER N N 115.394 . 1 198 1021 24 ASP CA C 55.265 . 1 199 1021 24 ASP CB C 40.578 . 1 200 1021 24 ASP H H 8.231 . 1 201 1021 24 ASP HA H 4.515 . 1 202 1021 24 ASP HB2 H 2.631 . 1 203 1021 24 ASP HB3 H 2.631 . 1 204 1021 24 ASP N N 120.994 . 1 205 1022 25 LEU CA C 56.827 . 1 206 1022 25 LEU CB C 41.828 . 1 207 1022 25 LEU CD1 C 24.015 . 2 208 1022 25 LEU CD2 C 24.952 . 2 209 1022 25 LEU CG C 26.827 . 1 210 1022 25 LEU H H 7.765 . 1 211 1022 25 LEU HA H 3.964 . 1 212 1022 25 LEU HB2 H 1.4 . 2 213 1022 25 LEU HB3 H 1.292 . 2 214 1022 25 LEU HD1 H 0.637 . 2 215 1022 25 LEU HD2 H 0.699 . 2 216 1022 25 LEU HG H 1.422 . 1 217 1022 25 LEU N N 120.794 . 1 218 1023 26 TRP CA C 58.077 . 1 219 1023 26 TRP CB C 29.015 . 1 220 1023 26 TRP CD1 C 127.14 . 4 221 1023 26 TRP CE3 C 120.89 . 4 222 1023 26 TRP CH2 C 124.328 . 1 223 1023 26 TRP CZ2 C 114.64 . 4 224 1023 26 TRP CZ3 C 121.828 . 4 225 1023 26 TRP H H 7.702 . 1 226 1023 26 TRP HA H 4.482 . 1 227 1023 26 TRP HB2 H 3.249 . 2 228 1023 26 TRP HB3 H 3.34 . 2 229 1023 26 TRP HD1 H 7.242 . 1 230 1023 26 TRP HE1 H 10.056 . 4 231 1023 26 TRP HE3 H 7.409 . 4 232 1023 26 TRP HH2 H 7.047 . 1 233 1023 26 TRP HZ2 H 7.369 . 4 234 1023 26 TRP HZ3 H 7.015 . 4 235 1023 26 TRP N N 117.194 . 1 236 1023 26 TRP NE1 N 129.194 . 1 237 1024 27 LYS CA C 57.452 . 1 238 1024 27 LYS CB C 32.453 . 1 239 1024 27 LYS CD C 29.327 . 1 240 1024 27 LYS CE C 42.14 . 1 241 1024 27 LYS CG C 24.952 . 1 242 1024 27 LYS H H 7.514 . 1 243 1024 27 LYS HA H 4.1 . 1 244 1024 27 LYS HB2 H 1.729 . 2 245 1024 27 LYS HB3 H 1.783 . 2 246 1024 27 LYS HD2 H 1.619 . 1 247 1024 27 LYS HD3 H 1.619 . 1 248 1024 27 LYS HE2 H 2.923 . 1 249 1024 27 LYS HE3 H 2.923 . 1 250 1024 27 LYS HG2 H 1.254 . 2 251 1024 27 LYS HG3 H 1.228 . 2 252 1024 27 LYS N N 118.794 . 1 253 1025 28 LEU CA C 55.265 . 1 254 1025 28 LEU CB C 42.14 . 1 255 1025 28 LEU CD1 C 25.265 . 2 256 1025 28 LEU CG C 26.827 . 1 257 1025 28 LEU H H 7.737 . 1 258 1025 28 LEU HA H 4.246 . 1 259 1025 28 LEU HB2 H 1.73 . 2 260 1025 28 LEU HB3 H 1.689 . 2 261 1025 28 LEU HD1 H 0.859 . 2 262 1025 28 LEU HD2 H 0.828 . 2 263 1025 28 LEU HG H 1.57 . 1 264 1025 28 LEU N N 119.194 . 1 265 1026 29 LEU CA C 52.765 . 1 266 1026 29 LEU CB C 41.515 . 1 267 1026 29 LEU CD1 C 25.265 . 2 268 1026 29 LEU CD2 C 23.702 . 2 269 1026 29 LEU CG C 26.827 . 1 270 1026 29 LEU H H 7.617 . 1 271 1026 29 LEU HA H 4.548 . 1 272 1026 29 LEU HB2 H 1.532 . 2 273 1026 29 LEU HB3 H 1.676 . 2 274 1026 29 LEU HD1 H 0.867 . 2 275 1026 29 LEU HD2 H 0.852 . 2 276 1026 29 LEU HG H 1.685 . 1 277 1026 29 LEU N N 120.994 . 1 278 1027 30 PRO CA C 63.39 . 1 279 1027 30 PRO CB C 31.827 . 1 280 1027 30 PRO CD C 50.577 . 1 281 1027 30 PRO CG C 27.452 . 1 282 1027 30 PRO HA H 4.418 . 1 283 1027 30 PRO HB2 H 2.274 . 2 284 1027 30 PRO HB3 H 1.946 . 2 285 1027 30 PRO HD2 H 3.59 . 2 286 1027 30 PRO HD3 H 3.789 . 2 287 1027 30 PRO HG2 H 1.99 . 1 288 1027 30 PRO HG3 H 1.99 . 1 289 1028 31 GLU CA C 57.14 . 1 290 1028 31 GLU CB C 29.952 . 1 291 1028 31 GLU CG C 36.515 . 1 292 1028 31 GLU H H 8.656 . 1 293 1028 31 GLU HA H 4.193 . 1 294 1028 31 GLU HB2 H 2.033 . 2 295 1028 31 GLU HB3 H 1.95 . 2 296 1028 31 GLU HG2 H 2.24 . 1 297 1028 31 GLU HG3 H 2.24 . 1 298 1028 31 GLU N N 119.994 . 1 299 1029 32 ASN CA C 53.39 . 1 300 1029 32 ASN CB C 39.015 . 1 301 1029 32 ASN H H 8.247 . 1 302 1029 32 ASN HA H 4.707 . 1 303 1029 32 ASN HB2 H 2.743 . 2 304 1029 32 ASN HB3 H 2.829 . 2 305 1029 32 ASN HD21 H 7.523 . 2 306 1029 32 ASN HD22 H 6.75 . 2 307 1029 32 ASN N N 118.194 . 1 308 1029 32 ASN ND2 N 112.394 . 1 309 1030 33 ASN CA C 53.39 . 1 310 1030 33 ASN CB C 39.015 . 1 311 1030 33 ASN H H 8.266 . 1 312 1030 33 ASN HA H 4.699 . 1 313 1030 33 ASN HB2 H 2.746 . 2 314 1030 33 ASN HB3 H 2.825 . 2 315 1030 33 ASN HD21 H 7.506 . 2 316 1030 33 ASN HD22 H 6.851 . 2 317 1030 33 ASN N N 118.994 . 1 318 1030 33 ASN ND2 N 112.394 . 1 319 1031 34 VAL CA C 62.765 . 1 320 1031 34 VAL CB C 32.765 . 1 321 1031 34 VAL CG1 C 21.202 . 2 322 1031 34 VAL CG2 C 20.577 . 2 323 1031 34 VAL H H 7.951 . 1 324 1031 34 VAL HA H 4.092 . 1 325 1031 34 VAL HB H 2.098 . 1 326 1031 34 VAL HG1 H 0.913 . 2 327 1031 34 VAL HG2 H 0.911 . 2 328 1031 34 VAL N N 119.194 . 1 329 1032 35 LEU CA C 54.952 . 1 330 1032 35 LEU CB C 42.14 . 1 331 1032 35 LEU CD1 C 23.39 . 2 332 1032 35 LEU CD2 C 25.265 . 2 333 1032 35 LEU CG C 27.14 . 1 334 1032 35 LEU H H 8.131 . 1 335 1032 35 LEU HA H 4.341 . 1 336 1032 35 LEU HB2 H 1.574 . 1 337 1032 35 LEU HB3 H 1.574 . 1 338 1032 35 LEU HD1 H 0.814 . 2 339 1032 35 LEU HD2 H 0.881 . 4 340 1032 35 LEU HG H 1.57 . 1 341 1032 35 LEU N N 123.794 . 1 342 1033 36 SER CA C 56.202 . 1 343 1033 36 SER CB C 63.39 . 1 344 1033 36 SER H H 8.012 . 1 345 1033 36 SER HA H 4.707 . 1 346 1033 36 SER HB2 H 3.772 . 2 347 1033 36 SER HB3 H 3.822 . 2 348 1033 36 SER N N 117.194 . 1 349 1034 37 PRO CA C 63.077 . 1 350 1034 37 PRO CB C 31.827 . 1 351 1034 37 PRO CD C 50.89 . 1 352 1034 37 PRO CG C 27.452 . 1 353 1034 37 PRO HA H 4.442 . 1 354 1034 37 PRO HB2 H 2.272 . 2 355 1034 37 PRO HB3 H 1.905 . 2 356 1034 37 PRO HD2 H 3.677 . 2 357 1034 37 PRO HD3 H 3.814 . 2 358 1034 37 PRO HG2 H 1.995 . 1 359 1034 37 PRO HG3 H 1.995 . 1 360 1035 38 LEU CA C 53.077 . 1 361 1035 38 LEU CB C 41.828 . 1 362 1035 38 LEU CD1 C 25.577 . 2 363 1035 38 LEU CD2 C 23.702 . 2 364 1035 38 LEU CG C 27.14 . 1 365 1035 38 LEU H H 8.142 . 1 366 1035 38 LEU HA H 4.534 . 1 367 1035 38 LEU HB2 H 1.534 . 2 368 1035 38 LEU HB3 H 1.497 . 2 369 1035 38 LEU HD1 H 0.869 . 2 370 1035 38 LEU HD2 H 0.861 . 2 371 1035 38 LEU HG H 1.645 . 1 372 1035 38 LEU N N 122.794 . 1 373 1036 39 PRO CA C 63.39 . 1 374 1036 39 PRO CB C 31.827 . 1 375 1036 39 PRO CD C 50.577 . 1 376 1036 39 PRO CG C 27.452 . 1 377 1036 39 PRO HA H 4.429 . 1 378 1036 39 PRO HB2 H 2.272 . 1 379 1036 39 PRO HB3 H 2.272 . 1 380 1036 39 PRO HD2 H 3.582 . 2 381 1036 39 PRO HD3 H 3.787 . 2 382 1036 39 PRO HG2 H 1.995 . 1 383 1036 39 PRO HG3 H 1.995 . 1 384 1037 40 SER CA C 58.702 . 1 385 1037 40 SER CB C 63.702 . 1 386 1037 40 SER H H 8.217 . 1 387 1037 40 SER HA H 4.33 . 1 388 1037 40 SER HB2 H 3.818 . 2 389 1037 40 SER HB3 H 3.908 . 2 390 1037 40 SER N N 115.194 . 1 391 1038 41 GLN CA C 56.202 . 1 392 1038 41 GLN CB C 29.64 . 1 393 1038 41 GLN CG C 33.702 . 1 394 1038 41 GLN H H 8.265 . 1 395 1038 41 GLN HA H 4.29 . 1 396 1038 41 GLN HB2 H 1.997 . 2 397 1038 41 GLN HB3 H 2.107 . 2 398 1038 41 GLN HE21 H 7.537 . 2 399 1038 41 GLN HE22 H 6.789 . 2 400 1038 41 GLN HG2 H 2.33 . 1 401 1038 41 GLN HG3 H 2.33 . 1 402 1038 41 GLN N N 121.594 . 1 403 1038 41 GLN NE2 N 112.194 . 1 404 1039 42 ALA CA C 52.765 . 1 405 1039 42 ALA CB C 19.327 . 1 406 1039 42 ALA H H 8.147 . 1 407 1039 42 ALA HA H 4.285 . 1 408 1039 42 ALA HB H 1.376 . 1 409 1039 42 ALA N N 123.794 . 1 410 1040 43 MET CA C 55.89 . 1 411 1040 43 MET CE C 17.14 . 1 412 1040 43 MET CG C 32.453 . 1 413 1040 43 MET H H 8.197 . 1 414 1040 43 MET HA H 4.334 . 1 415 1040 43 MET HB2 H 1.981 . 1 416 1040 43 MET HB3 H 1.981 . 1 417 1040 43 MET HE H 1.918 . 1 418 1040 43 MET HG2 H 2.456 . 2 419 1040 43 MET HG3 H 2.396 . 2 420 1040 43 MET N N 118.594 . 1 421 1041 44 ASP CA C 55.577 . 1 422 1041 44 ASP CB C 40.89 . 1 423 1041 44 ASP H H 8.132 . 1 424 1041 44 ASP HA H 4.497 . 1 425 1041 44 ASP HB2 H 2.604 . 2 426 1041 44 ASP HB3 H 2.649 . 2 427 1041 44 ASP N N 120.194 . 1 428 1042 45 ASP CA C 54.952 . 1 429 1042 45 ASP CB C 41.202 . 1 430 1042 45 ASP H H 8.108 . 1 431 1042 45 ASP HA H 4.528 . 1 432 1042 45 ASP HB2 H 2.655 . 1 433 1042 45 ASP HB3 H 2.655 . 1 434 1042 45 ASP N N 119.194 . 1 435 1043 46 LEU CA C 55.577 . 1 436 1043 46 LEU CB C 42.453 . 1 437 1043 46 LEU CD1 C 23.39 . 2 438 1043 46 LEU CD2 C 25.265 . 2 439 1043 46 LEU CG C 27.14 . 1 440 1043 46 LEU H H 7.892 . 1 441 1043 46 LEU HA H 4.246 . 1 442 1043 46 LEU HB2 H 1.609 . 2 443 1043 46 LEU HB3 H 1.539 . 2 444 1043 46 LEU HD1 H 0.783 . 2 445 1043 46 LEU HD2 H 0.794 . 2 446 1043 46 LEU HG H 1.584 . 1 447 1043 46 LEU N N 120.994 . 1 448 1044 47 MET CA C 55.577 . 1 449 1044 47 MET CB C 33.078 . 1 450 1044 47 MET CE C 17.14 . 1 451 1044 47 MET CG C 31.827 . 1 452 1044 47 MET H H 7.996 . 1 453 1044 47 MET HA H 4.428 . 1 454 1044 47 MET HB2 H 2.041 . 2 455 1044 47 MET HB3 H 1.946 . 2 456 1044 47 MET HE H 1.987 . 1 457 1044 47 MET HG2 H 2.455 . 2 458 1044 47 MET HG3 H 2.506 . 2 459 1044 47 MET N N 119.594 . 1 460 1045 48 LEU CA C 54.64 . 1 461 1045 48 LEU CB C 43.39 . 1 462 1045 48 LEU CD1 C 24.015 . 2 463 1045 48 LEU CD2 C 25.577 . 2 464 1045 48 LEU CG C 26.827 . 1 465 1045 48 LEU H H 8.069 . 1 466 1045 48 LEU HA H 4.467 . 1 467 1045 48 LEU HB2 H 1.48 . 2 468 1045 48 LEU HB3 H 1.575 . 2 469 1045 48 LEU HD1 H 0.795 . 2 470 1045 48 LEU HD2 H 0.784 . 2 471 1045 48 LEU HG H 1.576 . 1 472 1045 48 LEU N N 122.594 . 1 473 1046 49 SER CA C 55.89 . 1 474 1046 49 SER CB C 63.702 . 1 475 1046 49 SER H H 8.795 . 1 476 1046 49 SER HA H 4.845 . 1 477 1046 49 SER HB2 H 4.082 . 2 478 1046 49 SER HB3 H 3.897 . 2 479 1046 49 SER N N 119.194 . 1 480 1047 50 PRO CA C 64.952 . 1 481 1047 50 PRO CB C 31.827 . 1 482 1047 50 PRO CD C 50.265 . 1 483 1047 50 PRO CG C 27.765 . 1 484 1047 50 PRO HA H 4.288 . 1 485 1047 50 PRO HB2 H 1.973 . 2 486 1047 50 PRO HB3 H 2.224 . 2 487 1047 50 PRO HD2 H 3.834 . 1 488 1047 50 PRO HD3 H 3.834 . 1 489 1047 50 PRO HG2 H 2.083 . 2 490 1047 50 PRO HG3 H 1.928 . 2 491 1048 51 ASP CA C 56.515 . 1 492 1048 51 ASP CB C 40.89 . 1 493 1048 51 ASP H H 8.057 . 1 494 1048 51 ASP HA H 4.457 . 1 495 1048 51 ASP HB2 H 2.503 . 2 496 1048 51 ASP HB3 H 2.654 . 2 497 1048 51 ASP N N 117.194 . 1 498 1049 52 ASP CA C 56.515 . 1 499 1049 52 ASP CB C 41.515 . 1 500 1049 52 ASP H H 7.834 . 1 501 1049 52 ASP HA H 4.479 . 1 502 1049 52 ASP HB2 H 2.829 . 2 503 1049 52 ASP HB3 H 2.58 . 2 504 1049 52 ASP N N 119.794 . 1 505 1050 53 ILE CA C 63.077 . 1 506 1050 53 ILE CB C 38.078 . 1 507 1050 53 ILE CD1 C 13.702 . 1 508 1050 53 ILE CG1 C 28.39 . . 509 1050 53 ILE CG2 C 18.077 . . 510 1050 53 ILE H H 7.576 . 1 511 1050 53 ILE HA H 3.637 . 1 512 1050 53 ILE HB H 1.807 . 1 513 1050 53 ILE HD1 H 0.722 . 1 514 1050 53 ILE HG12 H 1.458 . 9 515 1050 53 ILE HG13 H 0.994 . 9 516 1050 53 ILE HG2 H 0.771 . 1 517 1050 53 ILE N N 118.794 . 1 518 1051 54 GLU CA C 58.702 . 1 519 1051 54 GLU CB C 29.952 . 1 520 1051 54 GLU CG C 36.203 . 1 521 1051 54 GLU H H 8.141 . 1 522 1051 54 GLU HA H 4.058 . 1 523 1051 54 GLU HB2 H 2.02 . 1 524 1051 54 GLU HB3 H 2.02 . 1 525 1051 54 GLU HG2 H 2.269 . 1 526 1051 54 GLU HG3 H 2.269 . 1 527 1052 55 GLN CA C 57.452 . 1 528 1052 55 GLN CB C 29.64 . 1 529 1052 55 GLN CG C 33.703 . 1 530 1052 55 GLN H H 7.929 . 1 531 1052 55 GLN HA H 4.099 . 1 532 1052 55 GLN HB2 H 2.014 . 1 533 1052 55 GLN HB3 H 2.014 . 1 534 1052 55 GLN HE21 H 7.447 . 2 535 1052 55 GLN HE22 H 6.738 . 2 536 1052 55 GLN HG2 H 2.276 . 1 537 1052 55 GLN HG3 H 2.276 . 1 538 1052 55 GLN N N 117.394 . 1 539 1052 55 GLN NE2 N 111.994 . 1 540 1053 56 TRP CA C 57.355 . 1 541 1053 56 TRP CD1 C 126.515 . 4 542 1053 56 TRP CE3 C 120.578 . 4 543 1053 56 TRP CH2 C 124.015 . 1 544 1053 56 TRP CZ2 C 114.015 . 4 545 1053 56 TRP CZ3 C 121.515 . 4 546 1053 56 TRP H H 7.785 . 1 547 1053 56 TRP HA H 4.467 . 1 548 1053 56 TRP HB2 H 2.969 . 1 549 1053 56 TRP HB3 H 2.969 . 1 550 1053 56 TRP HD1 H 6.959 . 1 551 1053 56 TRP HE1 H 9.944 . 4 552 1053 56 TRP HE3 H 7.22 . 4 553 1053 56 TRP HH2 H 6.955 . 1 554 1053 56 TRP HZ2 H 7.184 . 4 555 1053 56 TRP HZ3 H 6.866 . 4 556 1053 56 TRP N N 119.594 . 1 557 1053 56 TRP NE1 N 128.594 . 1 558 1054 57 PHE CA C 57.765 . 1 559 1054 57 PHE CB C 39.015 . 1 560 1054 57 PHE CD1 C 131.827 . 3 561 1054 57 PHE CZ C 129.952 . 1 562 1054 57 PHE H H 7.786 . 1 563 1054 57 PHE HA H 4.612 . 1 564 1054 57 PHE HB2 H 2.835 . 2 565 1054 57 PHE HB3 H 3.22 . 2 566 1054 57 PHE HD1 H 7.154 . 1 567 1054 57 PHE HD2 H 7.154 . 1 568 1054 57 PHE HE1 H 7.16 . 1 569 1054 57 PHE HE2 H 7.16 . 1 570 1054 57 PHE HZ H 7.137 . 1 571 1054 57 PHE N N 116.994 . 1 572 1055 58 THR CA C 62.452 . 1 573 1055 58 THR CB C 69.952 . 1 574 1055 58 THR CG2 C 21.515 . 1 575 1055 58 THR H H 7.777 . 1 576 1055 58 THR HA H 4.323 . 1 577 1055 58 THR HB H 4.24 . 1 578 1055 58 THR HG2 H 1.196 . 1 579 1055 58 THR N N 113.594 . 1 580 1056 59 GLU CA C 56.515 . 1 581 1056 59 GLU CB C 30.265 . 1 582 1056 59 GLU CG C 36.203 . 1 583 1056 59 GLU H H 8.153 . 1 584 1056 59 GLU HA H 4.277 . 1 585 1056 59 GLU HB2 H 1.901 . 2 586 1056 59 GLU HB3 H 2.025 . 2 587 1056 59 GLU HG2 H 2.23 . 1 588 1056 59 GLU HG3 H 2.23 . 1 589 1056 59 GLU N N 122.794 . 1 590 1057 60 ASP CA C 52.452 . 1 591 1057 60 ASP CB C 41.515 . 1 592 1057 60 ASP H H 8.233 . 1 593 1057 60 ASP HA H 4.81 . 1 594 1057 60 ASP HB2 H 2.46 . 2 595 1057 60 ASP HB3 H 2.698 . 2 596 1057 60 ASP N N 122.594 . 1 597 1058 61 PRO CB C 32.087 . 1 598 1058 61 PRO CD C 50.577 . 1 599 1058 61 PRO CG C 26.827 . 1 600 1058 61 PRO HA H 4.431 . 1 601 1058 61 PRO HB2 H 2.177 . 2 602 1058 61 PRO HB3 H 1.993 . 2 603 1058 61 PRO HD2 H 3.776 . 1 604 1058 61 PRO HD3 H 3.776 . 1 605 1058 61 PRO HG2 H 1.934 . 2 606 1058 61 PRO HG3 H 1.99 . 2 607 1059 62 GLY CA C 44.64 . 1 608 1059 62 GLY H H 8.238 . 1 609 1059 62 GLY HA2 H 4.062 . 1 610 1059 62 GLY HA3 H 4.062 . 1 611 1059 62 GLY N N 108.394 . 1 612 1060 63 PRO CA C 64.015 . 1 613 1060 63 PRO CB C 31.917 . 1 614 1060 63 PRO CD C 49.952 . 1 615 1060 63 PRO CG C 27.14 . 1 616 1060 63 PRO HA H 4.395 . 1 617 1060 63 PRO HB2 H 1.983 . 2 618 1060 63 PRO HB3 H 2.261 . 2 619 1060 63 PRO HD2 H 3.658 . 2 620 1060 63 PRO HD3 H 3.576 . 2 621 1060 63 PRO HG2 H 1.995 . 1 622 1060 63 PRO HG3 H 1.995 . 1 623 1061 64 ASP CA C 54.64 . 1 624 1061 64 ASP CB C 41.203 . 1 625 1061 64 ASP H H 8.338 . 1 626 1061 64 ASP HA H 4.615 . 1 627 1061 64 ASP HB2 H 2.697 . 1 628 1061 64 ASP HB3 H 2.697 . 1 629 1061 64 ASP N N 118.794 . 1 630 2001 65 GLY CA C 45.578 . 1 631 2001 65 GLY H H 8.196 . 1 632 2001 65 GLY HA2 H 3.926 . 2 633 2001 65 GLY HA3 H 3.996 . 2 634 2001 65 GLY N N 108.994 . 1 635 2002 66 SER CA C 58.702 . 1 636 2002 66 SER CB C 64.015 . 1 637 2002 66 SER H H 8.191 . 1 638 2002 66 SER HA H 4.433 . 1 639 2002 66 SER HB2 H 3.861 . 1 640 2002 66 SER HB3 H 3.861 . 1 641 2002 66 SER N N 115.594 . 1 642 2003 67 CYS CA C 58.702 . 1 643 2003 67 CYS CB C 27.765 . 1 644 2003 67 CYS H H 8.286 . 1 645 2003 67 CYS HA H 4.453 . 1 646 2003 67 CYS HB2 H 2.927 . 2 647 2003 67 CYS HB3 H 2.624 . 2 648 2003 67 CYS N N 113.994 . 1 649 2004 68 PHE CA C 57.765 . 1 650 2004 68 PHE CB C 39.327 . 1 651 2004 68 PHE CD1 C 131.827 . 3 652 2004 68 PHE CE1 C 131.515 . 3 653 2004 68 PHE H H 8.252 . 1 654 2004 68 PHE HA H 4.616 . 1 655 2004 68 PHE HB2 H 2.987 . 2 656 2004 68 PHE HB3 H 3.119 . 2 657 2004 68 PHE HD1 H 7.195 . 1 658 2004 68 PHE HD2 H 7.195 . 1 659 2004 68 PHE HZ H 7.136 . 1 660 2004 68 PHE N N 121.794 . 1 661 2005 69 ASN CA C 53.39 . 1 662 2005 69 ASN CB C 39.015 . 1 663 2005 69 ASN H H 8.274 . 1 664 2005 69 ASN HA H 4.705 . 1 665 2005 69 ASN HB2 H 2.834 . 2 666 2005 69 ASN HB3 H 2.743 . 2 667 2005 69 ASN HD21 H 7.535 . 2 668 2005 69 ASN HD22 H 6.861 . 2 669 2005 69 ASN N N 120.594 . 1 670 2005 69 ASN ND2 N 112.394 . 1 671 2006 70 GLY CA C 45.578 . 1 672 2006 70 GLY H H 7.943 . 1 673 2006 70 GLY HA2 H 3.969 . 2 674 2006 70 GLY HA3 H 3.935 . 2 675 2006 70 GLY N N 108.794 . 1 676 2007 71 THR CA C 61.827 . 1 677 2007 71 THR CB C 69.952 . 1 678 2007 71 THR CG2 C 21.515 . 1 679 2007 71 THR H H 7.99 . 1 680 2007 71 THR HA H 4.361 . 1 681 2007 71 THR HB H 4.244 . 1 682 2007 71 THR HG2 H 1.193 . 1 683 2007 71 THR N N 113.194 . 1 684 3340 72 ALA CA C 52.765 . 1 685 3340 72 ALA CB C 19.327 . 1 686 3340 72 ALA H H 8.302 . 1 687 3340 72 ALA HA H 4.387 . 1 688 3340 72 ALA HB H 1.383 . 1 689 3340 72 ALA N N 125.994 . 1 690 3341 73 THR CA C 61.202 . 1 691 3341 73 THR CB C 69.952 . 1 692 3341 73 THR CG2 C 21.202 . 1 693 3341 73 THR H H 7.973 . 1 694 3341 73 THR HA H 4.379 . 1 695 3341 73 THR HB H 4.244 . 1 696 3341 73 THR HG2 H 1.157 . 1 697 3341 73 THR N N 111.394 . 1 698 3342 74 GLY CA C 44.64 . 1 699 3342 74 GLY H H 8.106 . 1 700 3342 74 GLY HA2 H 4.095 . 1 701 3342 74 GLY HA3 H 4.095 . 1 702 3342 74 GLY N N 110.594 . 1 703 3343 75 PRO CA C 64.015 . 1 704 3343 75 PRO CB C 32.453 . 1 705 3343 75 PRO CD C 49.952 . 1 706 3343 75 PRO CG C 27.452 . 1 707 3343 75 PRO HA H 4.404 . 1 708 3343 75 PRO HB2 H 1.856 . 2 709 3343 75 PRO HB3 H 2.214 . 2 710 3343 75 PRO HD2 H 3.545 . 2 711 3343 75 PRO HD3 H 3.627 . 2 712 3343 75 PRO HG2 H 1.943 . 1 713 3343 75 PRO HG3 H 1.943 . 1 714 3344 76 THR CA C 62.14 . 1 715 3344 76 THR CB C 69.327 . 1 716 3344 76 THR CG2 C 21.827 . 1 717 3344 76 THR H H 8.036 . 1 718 3344 76 THR HA H 4.188 . 1 719 3344 76 THR HB H 4.178 . 1 720 3344 76 THR HG2 H 1.096 . 1 721 3344 76 THR N N 111.794 . 1 722 3345 77 ALA CA C 52.14 . 1 723 3345 77 ALA CB C 19.327 . 1 724 3345 77 ALA H H 7.939 . 1 725 3345 77 ALA HA H 4.234 . 1 726 3345 77 ALA HB H 1.232 . 1 727 3345 77 ALA N N 125.594 . 1 728 3346 78 ASP CA C 52.452 . 1 729 3346 78 ASP CB C 42.14 . 1 730 3346 78 ASP H H 8.109 . 1 731 3346 78 ASP HA H 4.85 . 1 732 3346 78 ASP HB2 H 2.647 . 2 733 3346 78 ASP HB3 H 2.815 . 2 734 3346 78 ASP N N 120.994 . 1 735 3347 79 PRO CA C 64.952 . 1 736 3347 79 PRO CB C 32.453 . 1 737 3347 79 PRO CD C 51.202 . 1 738 3347 79 PRO CG C 27.452 . 1 739 3347 79 PRO HA H 4.236 . 1 740 3347 79 PRO HB2 H 2.362 . 2 741 3347 79 PRO HB3 H 2.024 . 2 742 3347 79 PRO HD2 H 4.002 . 2 743 3347 79 PRO HD3 H 3.932 . 2 744 3347 79 PRO HG2 H 2.124 . 2 745 3347 79 PRO HG3 H 2.047 . 2 746 3348 80 GLU CA C 58.702 . 1 747 3348 80 GLU CB C 29.015 . 1 748 3348 80 GLU CG C 36.203 . 1 749 3348 80 GLU H H 8.309 . 1 750 3348 80 GLU HA H 4.115 . 1 751 3348 80 GLU HB2 H 2.086 . 1 752 3348 80 GLU HB3 H 2.086 . 1 753 3348 80 GLU HG2 H 2.348 . 2 754 3348 80 GLU HG3 H 2.277 . 2 755 3348 80 GLU N N 118.594 . 1 756 3349 81 LYS CD C 29.327 . 1 757 3349 81 LYS CE C 41.828 . 1 758 3349 81 LYS CG C 25.577 . 1 759 3349 81 LYS H H 7.765 . 1 760 3349 81 LYS HA H 3.956 . 1 761 3349 81 LYS HB2 H 1.87 . 2 762 3349 81 LYS HB3 H 2.091 . 2 763 3349 81 LYS HD2 H 1.677 . 1 764 3349 81 LYS HD3 H 1.677 . 1 765 3349 81 LYS HE2 H 2.919 . 1 766 3349 81 LYS HE3 H 2.919 . 1 767 3349 81 LYS HG2 H 1.28 . 2 768 3349 81 LYS HG3 H 1.472 . 2 769 3349 81 LYS N N 119.594 . 1 770 3350 82 ARG CA C 59.952 . 1 771 3350 82 ARG CD C 43.078 . 1 772 3350 82 ARG CG C 27.452 . 1 773 3350 82 ARG HA H 4.089 . 1 774 3350 82 ARG HB2 H 1.786 . 1 775 3350 82 ARG HB3 H 1.786 . 1 776 3350 82 ARG HD2 H 3.076 . 1 777 3350 82 ARG HD3 H 3.076 . 1 778 3350 82 ARG HG2 H 1.572 . 1 779 3350 82 ARG HG3 H 1.572 . 1 780 3351 83 LYS CA C 58.702 . 1 781 3351 83 LYS CB C 32.14 . 1 782 3351 83 LYS CD C 29.327 . 1 783 3351 83 LYS CE C 41.828 . 1 784 3351 83 LYS CG C 24.952 . 1 785 3351 83 LYS H H 7.512 . 1 786 3351 83 LYS HA H 4.098 . 1 787 3351 83 LYS HB2 H 1.884 . 1 788 3351 83 LYS HB3 H 1.884 . 1 789 3351 83 LYS HD2 H 1.679 . 1 790 3351 83 LYS HD3 H 1.679 . 1 791 3351 83 LYS HE2 H 2.924 . 1 792 3351 83 LYS HE3 H 2.924 . 1 793 3351 83 LYS HG2 H 1.386 . 2 794 3351 83 LYS HG3 H 1.532 . 2 795 3351 83 LYS N N 117.994 . 1 796 3352 84 LEU CA C 57.765 . 1 797 3352 84 LEU CB C 42.14 . 1 798 3352 84 LEU CD1 C 25.577 . 2 799 3352 84 LEU CD2 C 23.39 . 2 800 3352 84 LEU H H 7.523 . 1 801 3352 84 LEU HA H 4.077 . 1 802 3352 84 LEU HB2 H 1.84 . 2 803 3352 84 LEU HB3 H 1.571 . 2 804 3352 84 LEU HD1 H 0.88 . 2 805 3352 84 LEU HD2 H 0.826 . 2 806 3352 84 LEU HG H 1.761 . 1 807 3352 84 LEU N N 119.594 . 1 808 3353 85 ILE CA C 65.265 . 1 809 3353 85 ILE CB C 37.765 . 1 810 3353 85 ILE CD1 C 13.39 . 1 811 3353 85 ILE CG2 C 17.765 . 1 812 3353 85 ILE H H 7.895 . 1 813 3353 85 ILE HA H 3.506 . 1 814 3353 85 ILE HB H 1.735 . 1 815 3353 85 ILE HD1 H 0.41 . 1 816 3353 85 ILE HG12 H 1.574 . 2 817 3353 85 ILE HG13 H 1.574 . 2 818 3353 85 ILE HG2 H 0.742 . 1 819 3353 85 ILE N N 119.994 . 1 820 3354 86 GLN CA C 59.64 . 1 821 3354 86 GLN CB C 29.015 . 1 822 3354 86 GLN CG C 34.64 . 1 823 3354 86 GLN H H 8.052 . 1 824 3354 86 GLN HA H 3.81 . 1 825 3354 86 GLN HB2 H 2.051 . 2 826 3354 86 GLN HB3 H 2.341 . 2 827 3354 86 GLN HE21 H 6.6 . 2 828 3354 86 GLN HE22 H 7.687 . 2 829 3354 86 GLN HG2 H 2.391 . 2 830 3354 86 GLN HG3 H 2.591 . 2 831 3354 86 GLN N N 117.994 . 1 832 3354 86 GLN NE2 N 110.394 . 1 833 3355 87 GLN CA C 59.015 . 1 834 3355 87 GLN CB C 28.702 . 1 835 3355 87 GLN CG C 34.64 . 1 836 3355 87 GLN H H 8.281 . 1 837 3355 87 GLN HA H 3.927 . 1 838 3355 87 GLN HB2 H 2.053 . 2 839 3355 87 GLN HB3 H 2.218 . 2 840 3355 87 GLN HE21 H 6.793 . 2 841 3355 87 GLN HE22 H 7.234 . 2 842 3355 87 GLN HG2 H 2.505 . 2 843 3355 87 GLN HG3 H 2.277 . 2 844 3355 87 GLN N N 116.994 . 1 845 3355 87 GLN NE2 N 109.994 . 1 846 3356 88 GLN CA C 59.64 . 1 847 3356 88 GLN CG C 33.703 . 1 848 3356 88 GLN H H 8.062 . 1 849 3356 88 GLN HA H 3.83 . 1 850 3356 88 GLN HB2 H 1.969 . 1 851 3356 88 GLN HB3 H 1.969 . 1 852 3356 88 GLN HG2 H 2.168 . 1 853 3356 88 GLN HG3 H 2.168 . 1 854 3356 88 GLN N N 120.194 . 1 855 3357 89 LEU CA C 58.077 . 1 856 3357 89 LEU CB C 41.828 . 1 857 3357 89 LEU CD1 C 23.39 . 2 858 3357 89 LEU CG C 27.14 . 1 859 3357 89 LEU H H 8.278 . 1 860 3357 89 LEU HA H 4.056 . 1 861 3357 89 LEU HB2 H 1.86 . 2 862 3357 89 LEU HB3 H 1.554 . 2 863 3357 89 LEU HD1 H 0.831 . 2 864 3357 89 LEU HD2 H 0.803 . 4 865 3357 89 LEU HG H 1.773 . 1 866 3357 89 LEU N N 119.794 . 1 867 3358 90 VAL CA C 66.827 . 1 868 3358 90 VAL CB C 31.515 . 1 869 3358 90 VAL CG1 C 23.39 . 2 870 3358 90 VAL CG2 C 21.827 . 2 871 3358 90 VAL H H 8.142 . 1 872 3358 90 VAL HA H 3.448 . 1 873 3358 90 VAL HB H 2.142 . 1 874 3358 90 VAL HG1 H 1.038 . 2 875 3358 90 VAL HG2 H 0.912 . 2 876 3359 91 LEU CA C 57.765 . 1 877 3359 91 LEU CD1 C 24.015 . 2 878 3359 91 LEU CD2 C 24.952 . 2 879 3359 91 LEU CG C 27.14 . 1 880 3359 91 LEU H H 7.945 . 1 881 3359 91 LEU HA H 4.078 . 1 882 3359 91 LEU HB2 H 1.891 . 2 883 3359 91 LEU HB3 H 1.621 . 2 884 3359 91 LEU HD1 H 0.799 . 2 885 3359 91 LEU HD2 H 0.824 . 2 886 3359 91 LEU HG H 1.699 . 1 887 3359 91 LEU N N 120.994 . 1 888 3360 92 LEU CA C 58.702 . 1 889 3360 92 LEU CB C 43.078 . 1 890 3360 92 LEU CD1 C 24.015 . 2 891 3360 92 LEU CD2 C 25.89 . 2 892 3360 92 LEU CG C 27.765 . 1 893 3360 92 LEU H H 8.511 . 1 894 3360 92 LEU HA H 3.96 . 1 895 3360 92 LEU HB2 H 2.13 . 1 896 3360 92 LEU HB3 H 2.13 . 1 897 3360 92 LEU HD1 H 0.964 . 2 898 3360 92 LEU HD2 H 0.973 . 2 899 3360 92 LEU HG H 1.877 . 1 900 3360 92 LEU N N 121.594 . 1 901 3361 93 LEU CA C 58.077 . 1 902 3361 93 LEU CB C 41.203 . 1 903 3361 93 LEU CD1 C 22.14 . 2 904 3361 93 LEU CD2 C 24.952 . 2 905 3361 93 LEU CG C 26.515 . 1 906 3361 93 LEU H H 8.275 . 1 907 3361 93 LEU HA H 3.951 . 1 908 3361 93 LEU HB2 H 1.373 . 2 909 3361 93 LEU HB3 H 1.725 . 2 910 3361 93 LEU HD1 H 0.288 . 2 911 3361 93 LEU HD2 H 0.158 . 2 912 3361 93 LEU HG H 1.488 . 1 913 3362 94 HIS CA C 60.577 . 1 914 3362 94 HIS CB C 27.765 . 1 915 3362 94 HIS CD2 C 129.015 . 1 916 3362 94 HIS CE1 C 139.327 . 1 917 3362 94 HIS H H 8.5 . 1 918 3362 94 HIS HA H 4.101 . 1 919 3362 94 HIS HB2 H 3.223 . 2 920 3362 94 HIS HB3 H 3.461 . 2 921 3362 94 HIS HD2 H 7.179 . . 922 3362 94 HIS HE1 H 7.966 . 1 923 3362 94 HIS N N 117.994 . 1 924 3363 95 ALA CA C 55.265 . 1 925 3363 95 ALA CB C 19.015 . 1 926 3363 95 ALA H H 8.969 . 1 927 3363 95 ALA HA H 4.005 . 1 928 3363 95 ALA HB H 1.524 . 1 929 3363 95 ALA N N 121.794 . 1 930 3364 96 HIS CA C 59.952 . 1 931 3364 96 HIS CB C 30.577 . 1 932 3364 96 HIS CD2 C 119.015 . 1 933 3364 96 HIS CE1 C 138.39 . 1 934 3364 96 HIS H H 8.076 . 1 935 3364 96 HIS HA H 4.125 . 1 936 3364 96 HIS HB2 H 3.092 . 1 937 3364 96 HIS HB3 H 3.092 . 1 938 3364 96 HIS HD2 H 6.774 . . 939 3364 96 HIS HE1 H 7.65 . 1 940 3364 96 HIS N N 116.594 . 1 941 3365 97 LYS CA C 58.077 . 1 942 3365 97 LYS CB C 32.453 . 1 943 3365 97 LYS CD C 29.015 . 1 944 3365 97 LYS CE C 41.828 . 1 945 3365 97 LYS CG C 24.952 . 1 946 3365 97 LYS H H 7.231 . 1 947 3365 97 LYS HA H 3.869 . 1 948 3365 97 LYS HB2 H 1.805 . 1 949 3365 97 LYS HB3 H 1.805 . 1 950 3365 97 LYS HD2 H 1.623 . 1 951 3365 97 LYS HD3 H 1.623 . 1 952 3365 97 LYS HE2 H 2.925 . 1 953 3365 97 LYS HE3 H 2.925 . 1 954 3365 97 LYS HG2 H 1.527 . 2 955 3365 97 LYS HG3 H 1.383 . 2 956 3365 97 LYS N N 117.594 . 1 957 3366 98 CYS CA C 62.765 . 1 958 3366 98 CYS CB C 29.64 . 1 959 3366 98 CYS H H 8.58 . 1 960 3366 98 CYS HA H 3.69 . 1 961 3366 98 CYS HB2 H 2.078 . 2 962 3366 98 CYS HB3 H 2.512 . 2 963 3366 98 CYS N N 123.994 . 1 964 3367 99 GLN H H 8.278 . 1 965 3367 99 GLN HA H 4.21 . 1 966 3367 99 GLN HB2 H 2.047 . 1 967 3367 99 GLN HB3 H 2.047 . 1 968 3367 99 GLN HE21 H 7.386 . 2 969 3367 99 GLN HE22 H 6.676 . 2 970 3367 99 GLN HG2 H 2.375 . 1 971 3367 99 GLN HG3 H 2.375 . 1 972 3367 99 GLN N N 119.794 . 1 973 3367 99 GLN NE2 N 110.794 . 1 974 3368 100 ARG CA C 57.765 . 1 975 3368 100 ARG CB C 29.64 . 1 976 3368 100 ARG CD C 43.078 . 1 977 3368 100 ARG CG C 27.14 . 1 978 3368 100 ARG H H 7.635 . 1 979 3368 100 ARG HA H 4.091 . 1 980 3368 100 ARG HB2 H 1.814 . 2 981 3368 100 ARG HB3 H 1.74 . 2 982 3368 100 ARG HD2 H 3.067 . 1 983 3368 100 ARG HD3 H 3.067 . 1 984 3368 100 ARG HG2 H 1.565 . 1 985 3368 100 ARG HG3 H 1.565 . 1 986 3368 100 ARG N N 119.394 . 1 987 3369 101 ARG CA C 57.765 . 1 988 3369 101 ARG CB C 30.89 . 1 989 3369 101 ARG CD C 43.703 . 1 990 3369 101 ARG CG C 27.452 . 1 991 3369 101 ARG H H 7.985 . 1 992 3369 101 ARG HA H 4.193 . 1 993 3369 101 ARG HB2 H 1.875 . 1 994 3369 101 ARG HB3 H 1.875 . 1 995 3369 101 ARG HD2 H 3.201 . 1 996 3369 101 ARG HD3 H 3.201 . 1 997 3369 101 ARG HG2 H 1.699 . 2 998 3369 101 ARG HG3 H 1.62 . 2 999 3369 101 ARG N N 120.594 . 1 1000 3370 102 GLU CA C 57.765 . 1 1001 3370 102 GLU CB C 29.952 . 1 1002 3370 102 GLU CG C 36.515 . 1 1003 3370 102 GLU H H 8.146 . 1 1004 3370 102 GLU HA H 4.191 . 1 1005 3370 102 GLU HB2 H 2.081 . 1 1006 3370 102 GLU HB3 H 2.081 . 1 1007 3370 102 GLU HG2 H 2.364 . 2 1008 3370 102 GLU HG3 H 2.276 . 2 1009 3370 102 GLU N N 120.594 . 1 1010 3371 103 GLN CA C 56.515 . 1 1011 3371 103 GLN CB C 29.015 . 1 1012 3371 103 GLN CG C 34.015 . 1 1013 3371 103 GLN H H 8.107 . 1 1014 3371 103 GLN HA H 4.248 . 1 1015 3371 103 GLN HB2 H 2.05 . 2 1016 3371 103 GLN HB3 H 2.131 . 2 1017 3371 103 GLN HE21 H 6.786 . 2 1018 3371 103 GLN HE22 H 7.437 . 2 1019 3371 103 GLN HG2 H 2.44 . 2 1020 3371 103 GLN HG3 H 2.37 . 2 1021 3371 103 GLN N N 119.194 . 1 1022 3371 103 GLN NE2 N 111.594 . 1 1023 3372 104 ALA CA C 53.39 . 1 1024 3372 104 ALA CB C 19.015 . 1 1025 3372 104 ALA H H 8.01 . 1 1026 3372 104 ALA HA H 4.287 . 1 1027 3372 104 ALA HB H 1.42 . 1 1028 3372 104 ALA N N 122.794 . 1 1029 3373 105 ASN CA C 53.077 . 1 1030 3373 105 ASN CB C 38.703 . 1 1031 3373 105 ASN H H 8.125 . 1 1032 3373 105 ASN HA H 4.688 . 1 1033 3373 105 ASN HB2 H 2.841 . 2 1034 3373 105 ASN HB3 H 2.743 . 2 1035 3373 105 ASN HD21 H 6.869 . 2 1036 3373 105 ASN HD22 H 7.554 . 2 1037 3373 105 ASN N N 115.794 . 1 1038 3373 105 ASN ND2 N 112.194 . 1 1039 3374 106 GLY CA C 45.578 . 1 1040 3374 106 GLY H H 8.221 . 1 1041 3374 106 GLY HA2 H 3.927 . 2 1042 3374 106 GLY HA3 H 3.951 . 2 1043 3374 106 GLY N N 108.994 . 1 1044 3375 107 GLU CA C 56.202 . 1 1045 3375 107 GLU CB C 30.577 . 1 1046 3375 107 GLU CG C 36.203 . 1 1047 3375 107 GLU H H 8.091 . 1 1048 3375 107 GLU HA H 4.321 . 1 1049 3375 107 GLU HB2 H 1.927 . 2 1050 3375 107 GLU HB3 H 2.029 . 2 1051 3375 107 GLU HG2 H 2.216 . 2 1052 3375 107 GLU HG3 H 2.173 . 2 1053 3375 107 GLU N N 120.194 . 1 1054 3376 108 VAL CA C 62.14 . 1 1055 3376 108 VAL CB C 32.765 . 1 1056 3376 108 VAL CG1 C 20.89 . 2 1057 3376 108 VAL CG2 C 21.202 . 2 1058 3376 108 VAL H H 8.064 . 1 1059 3376 108 VAL HA H 4.099 . 1 1060 3376 108 VAL HB H 2.039 . 1 1061 3376 108 VAL HG1 H 0.918 . 2 1062 3376 108 VAL HG2 H 0.894 . 2 1063 3376 108 VAL N N 121.394 . 1 1064 3377 109 ARG CA C 55.577 . 1 1065 3377 109 ARG CB C 30.89 . 1 1066 3377 109 ARG CD C 43.39 . 1 1067 3377 109 ARG CG C 27.14 . 1 1068 3377 109 ARG H H 8.417 . 1 1069 3377 109 ARG HA H 4.34 . 1 1070 3377 109 ARG HB2 H 1.803 . 2 1071 3377 109 ARG HB3 H 1.711 . 2 1072 3377 109 ARG HD2 H 3.18 . 1 1073 3377 109 ARG HD3 H 3.18 . 1 1074 3377 109 ARG HG2 H 1.617 . 1 1075 3377 109 ARG HG3 H 1.617 . 1 1076 3377 109 ARG N N 125.394 . 1 1077 3378 110 ALA CA C 52.14 . 1 1078 3378 110 ALA CB C 19.327 . 1 1079 3378 110 ALA H H 8.328 . 1 1080 3378 110 ALA HA H 4.242 . 1 1081 3378 110 ALA HB H 1.324 . 1 1082 3378 110 ALA N N 126.194 . 1 1083 3379 111 CYS CA C 60.265 . 1 1084 3379 111 CYS CB C 30.265 . 1 1085 3379 111 CYS H H 8.404 . 1 1086 3379 111 CYS HA H 4.31 . 1 1087 3379 111 CYS HB2 H 2.812 . 1 1088 3379 111 CYS HB3 H 2.812 . 1 1089 3379 111 CYS N N 123.994 . 1 1090 3380 112 SER CA C 57.765 . 1 1091 3380 112 SER CB C 63.702 . 1 1092 3380 112 SER HA H 4.536 . 1 1093 3380 112 SER HB2 H 3.823 . 2 1094 3380 112 SER HB3 H 4.01 . 2 1095 3381 113 LEU CA C 53.702 . 1 1096 3381 113 LEU CB C 41.515 . 1 1097 3381 113 LEU CD1 C 23.702 . 2 1098 3381 113 LEU CD2 C 24.64 . 2 1099 3381 113 LEU CG C 26.827 . 1 1100 3381 113 LEU H H 8.519 . 1 1101 3381 113 LEU HA H 4.439 . 1 1102 3381 113 LEU HB2 H 1.296 . 2 1103 3381 113 LEU HB3 H 1.454 . 2 1104 3381 113 LEU HD1 H 0.45 . 2 1105 3381 113 LEU HD2 H 0.512 . 2 1106 3381 113 LEU HG H 1.486 . 1 1107 3381 113 LEU N N 128.794 . 1 1108 3382 114 PRO CA C 64.952 . 1 1109 3382 114 PRO CB C 31.515 . 1 1110 3382 114 PRO CD C 51.202 . 1 1111 3382 114 PRO CG C 27.765 . 1 1112 3382 114 PRO HA H 4.097 . 1 1113 3382 114 PRO HB2 H 2.088 . 2 1114 3382 114 PRO HB3 H 1.604 . 2 1115 3382 114 PRO HD2 H 3.624 . 2 1116 3382 114 PRO HD3 H 4.143 . 2 1117 3382 114 PRO HG2 H 1.962 . 2 1118 3382 114 PRO HG3 H 2.012 . 2 1119 3383 115 HIS CA C 57.765 . 1 1120 3383 115 HIS CB C 29.64 . 1 1121 3383 115 HIS CD2 C 118.703 . 1 1122 3383 115 HIS HA H 4.465 . 1 1123 3383 115 HIS HB2 H 3.158 . 2 1124 3383 115 HIS HB3 H 3.108 . 2 1125 3383 115 HIS HD2 H 6.835 . . 1126 3383 115 HIS HE1 H 7.845 . 1 1127 3384 116 CYS CA C 64.327 . 1 1128 3384 116 CYS CB C 29.015 . 1 1129 3384 116 CYS H H 7.467 . 1 1130 3384 116 CYS HA H 4 . 1 1131 3384 116 CYS HB2 H 2.701 . 2 1132 3384 116 CYS HB3 H 3.134 . 2 1133 3384 116 CYS N N 123.594 . 1 1134 3385 117 ARG CA C 59.64 . 1 1135 3385 117 ARG CB C 29.015 . 1 1136 3385 117 ARG CD C 43.078 . 1 1137 3385 117 ARG CG C 26.515 . 1 1138 3385 117 ARG H H 8.097 . 1 1139 3385 117 ARG HA H 3.914 . 1 1140 3385 117 ARG HB2 H 1.994 . 2 1141 3385 117 ARG HB3 H 1.955 . 2 1142 3385 117 ARG HD2 H 3.262 . 2 1143 3385 117 ARG HD3 H 3.25 . 2 1144 3385 117 ARG HG2 H 1.73 . 1 1145 3385 117 ARG HG3 H 1.73 . 1 1146 3385 117 ARG N N 116.994 . 1 1147 3386 118 THR CA C 66.202 . 1 1148 3386 118 THR CB C 68.702 . 1 1149 3386 118 THR CG2 C 22.14 . 1 1150 3386 118 THR H H 7.671 . 1 1151 3386 118 THR HA H 3.973 . 1 1152 3386 118 THR HB H 4.246 . 1 1153 3386 118 THR HG2 H 1.27 . 1 1154 3386 118 THR N N 114.594 . 1 1155 3387 119 MET CA C 56.827 . 1 1156 3387 119 MET CB C 31.515 . 1 1157 3387 119 MET CE C 18.077 . 1 1158 3387 119 MET CG C 33.703 . 1 1159 3387 119 MET H H 8.094 . 1 1160 3387 119 MET HA H 4.563 . 1 1161 3387 119 MET HB2 H 2.226 . 2 1162 3387 119 MET HB3 H 1.929 . 2 1163 3387 119 MET HE H 1.804 . 1 1164 3387 119 MET HG2 H 2.694 . 2 1165 3387 119 MET HG3 H 2.503 . 2 1166 3387 119 MET N N 120.194 . 1 1167 3388 120 LYS CA C 61.202 . 1 1168 3388 120 LYS CB C 32.765 . 1 1169 3388 120 LYS CD C 30.265 . 1 1170 3388 120 LYS CE C 42.14 . 1 1171 3388 120 LYS CG C 27.452 . 1 1172 3388 120 LYS H H 9.247 . 1 1173 3388 120 LYS HA H 3.91 . 1 1174 3388 120 LYS HB2 H 1.859 . 2 1175 3388 120 LYS HB3 H 2.039 . 2 1176 3388 120 LYS HD2 H 1.687 . 1 1177 3388 120 LYS HD3 H 1.687 . 1 1178 3388 120 LYS HE2 H 3.204 . 2 1179 3388 120 LYS HE3 H 2.879 . 2 1180 3388 120 LYS HG2 H 2.045 . 2 1181 3388 120 LYS HG3 H 1.271 . 2 1182 3388 120 LYS N N 122.194 . 1 1183 3389 121 ASN CA C 56.202 . 1 1184 3389 121 ASN CB C 37.453 . 1 1185 3389 121 ASN H H 7.903 . 1 1186 3389 121 ASN HA H 4.584 . 1 1187 3389 121 ASN HB2 H 2.936 . 2 1188 3389 121 ASN HB3 H 3.186 . 2 1189 3389 121 ASN HD21 H 7.733 . 2 1190 3389 121 ASN HD22 H 6.923 . 2 1191 3389 121 ASN N N 117.594 . 1 1192 3389 121 ASN ND2 N 112.194 . 1 1193 3390 122 VAL CA C 67.14 . 1 1194 3390 122 VAL CB C 31.827 . 1 1195 3390 122 VAL CG1 C 21.202 . 2 1196 3390 122 VAL CG2 C 23.702 . 2 1197 3390 122 VAL H H 8.038 . 1 1198 3390 122 VAL HA H 3.735 . 1 1199 3390 122 VAL HB H 2.47 . 1 1200 3390 122 VAL HG1 H 1.001 . 2 1201 3390 122 VAL HG2 H 1.239 . 2 1202 3390 122 VAL N N 123.794 . 1 1203 3391 123 LEU CA C 58.702 . 1 1204 3391 123 LEU CB C 41.515 . 1 1205 3391 123 LEU CD1 C 23.077 . 2 1206 3391 123 LEU CD2 C 25.577 . 2 1207 3391 123 LEU CG C 27.14 . 1 1208 3391 123 LEU H H 8.634 . 1 1209 3391 123 LEU HA H 4.09 . 1 1210 3391 123 LEU HB2 H 1.536 . 2 1211 3391 123 LEU HB3 H 1.994 . 2 1212 3391 123 LEU HD1 H 0.859 . 2 1213 3391 123 LEU HD2 H 0.887 . 2 1214 3391 123 LEU HG H 1.867 . 1 1215 3391 123 LEU N N 121.194 . 1 1216 3392 124 ASN CA C 56.202 . 1 1217 3392 124 ASN CB C 38.39 . 1 1218 3392 124 ASN H H 8.192 . 1 1219 3392 124 ASN HA H 4.516 . 1 1220 3392 124 ASN HB2 H 2.943 . 1 1221 3392 124 ASN HB3 H 2.943 . 1 1222 3392 124 ASN HD21 H 7.717 . 2 1223 3392 124 ASN HD22 H 7.076 . 2 1224 3392 124 ASN N N 116.794 . 1 1225 3392 124 ASN ND2 N 112.594 . 1 1226 3393 125 HIS CA C 59.327 . 1 1227 3393 125 HIS CB C 27.452 . 1 1228 3393 125 HIS CD2 C 120.89 . 1 1229 3393 125 HIS CE1 C 139.327 . 1 1230 3393 125 HIS H H 7.994 . 1 1231 3393 125 HIS HA H 4.36 . 1 1232 3393 125 HIS HB2 H 3.393 . 2 1233 3393 125 HIS HB3 H 3.641 . 2 1234 3393 125 HIS HD2 H 7.238 . . 1235 3393 125 HIS HE1 H 7.938 . 1 1236 3393 125 HIS N N 120.394 . 1 1237 3394 126 MET CA C 59.64 . 1 1238 3394 126 MET CB C 34.328 . 1 1239 3394 126 MET CE C 16.827 . 1 1240 3394 126 MET CG C 32.14 . 1 1241 3394 126 MET H H 9.005 . 1 1242 3394 126 MET HA H 3.693 . 1 1243 3394 126 MET HB2 H 2.182 . 2 1244 3394 126 MET HB3 H 2.443 . 2 1245 3394 126 MET HE H 1.997 . 1 1246 3394 126 MET HG2 H 2.947 . 1 1247 3394 126 MET HG3 H 2.947 . 1 1248 3394 126 MET N N 119.394 . 1 1249 3395 127 THR CA C 65.265 . 1 1250 3395 127 THR CB C 69.327 . 1 1251 3395 127 THR CG2 C 21.515 . 1 1252 3395 127 THR H H 7.504 . 1 1253 3395 127 THR HA H 3.898 . 1 1254 3395 127 THR HB H 4.008 . 1 1255 3395 127 THR HG2 H 1.107 . 1 1256 3395 127 THR N N 110.394 . 1 1257 3396 128 HIS CA C 54.64 . 1 1258 3396 128 HIS CB C 29.952 . 1 1259 3396 128 HIS CD2 C 120.89 . 1 1260 3396 128 HIS CE1 C 136.827 . 1 1261 3396 128 HIS H H 7.03 . 1 1262 3396 128 HIS HA H 4.845 . 1 1263 3396 128 HIS HB2 H 3.026 . 2 1264 3396 128 HIS HB3 H 3.37 . 2 1265 3396 128 HIS HD2 H 7.248 . . 1266 3396 128 HIS HE1 H 8.289 . 1 1267 3396 128 HIS N N 115.794 . 1 1268 3397 129 CYS CA C 60.89 . 1 1269 3397 129 CYS CB C 29.952 . 1 1270 3397 129 CYS H H 7.095 . 1 1271 3397 129 CYS HA H 4.052 . 1 1272 3397 129 CYS HB2 H 2.538 . 2 1273 3397 129 CYS HB3 H 1.948 . 2 1274 3397 129 CYS N N 123.994 . 1 1275 3398 130 GLN CA C 54.952 . 1 1276 3398 130 GLN CB C 29.64 . 1 1277 3398 130 GLN CG C 34.015 . 1 1278 3398 130 GLN H H 9.04 . 1 1279 3398 130 GLN HA H 4.688 . 1 1280 3398 130 GLN HB2 H 2.414 . 2 1281 3398 130 GLN HB3 H 1.854 . 2 1282 3398 130 GLN HE21 H 7.399 . 2 1283 3398 130 GLN HE22 H 6.79 . 2 1284 3398 130 GLN HG2 H 2.35 . 2 1285 3398 130 GLN HG3 H 2.383 . 2 1286 3398 130 GLN NE2 N 112.394 . 1 1287 3399 131 ALA CA C 53.077 . 1 1288 3399 131 ALA CB C 19.64 . 1 1289 3399 131 ALA H H 8.668 . 1 1290 3399 131 ALA HA H 4.356 . 1 1291 3399 131 ALA HB H 1.428 . 1 1292 3399 131 ALA N N 125.194 . 1 1293 3400 132 GLY CA C 46.203 . 1 1294 3400 132 GLY H H 8.153 . 1 1295 3400 132 GLY HA2 H 3.926 . 2 1296 3400 132 GLY HA3 H 3.589 . 2 1297 3400 132 GLY N N 108.194 . 1 1298 3401 133 LYS CA C 58.39 . 1 1299 3401 133 LYS CB C 32.14 . 1 1300 3401 133 LYS CD C 29.327 . 1 1301 3401 133 LYS CE C 41.828 . 1 1302 3401 133 LYS CG C 25.265 . 1 1303 3401 133 LYS H H 8.912 . 1 1304 3401 133 LYS HA H 4.06 . 1 1305 3401 133 LYS HB2 H 1.855 . 1 1306 3401 133 LYS HB3 H 1.855 . 1 1307 3401 133 LYS HD2 H 1.675 . 1 1308 3401 133 LYS HD3 H 1.675 . 1 1309 3401 133 LYS HE2 H 2.951 . 1 1310 3401 133 LYS HE3 H 2.951 . 1 1311 3401 133 LYS HG2 H 1.48 . 1 1312 3401 133 LYS HG3 H 1.48 . 1 1313 3402 134 ALA CA C 51.515 . 1 1314 3402 134 ALA CB C 18.702 . 1 1315 3402 134 ALA H H 7.614 . 1 1316 3402 134 ALA HA H 4.381 . 1 1317 3402 134 ALA HB H 1.442 . 1 1318 3402 134 ALA N N 119.194 . 1 1319 3403 135 CYS CA C 62.14 . 1 1320 3403 135 CYS CB C 29.64 . 1 1321 3403 135 CYS H H 7.449 . 1 1322 3403 135 CYS HA H 3.811 . 1 1323 3403 135 CYS HB2 H 2.825 . 1 1324 3403 135 CYS HB3 H 2.825 . 1 1325 3403 135 CYS N N 122.194 . 1 1326 3404 136 GLN CA C 55.577 . 1 1327 3404 136 GLN CB C 29.327 . 1 1328 3404 136 GLN CG C 34.015 . 1 1329 3404 136 GLN H H 8.86 . 1 1330 3404 136 GLN HA H 4.396 . 1 1331 3404 136 GLN HB2 H 1.892 . 2 1332 3404 136 GLN HB3 H 2.375 . 2 1333 3404 136 GLN HE21 H 7.404 . 2 1334 3404 136 GLN HE22 H 6.793 . 2 1335 3404 136 GLN HG2 H 2.398 . 2 1336 3404 136 GLN HG3 H 2.454 . 2 1337 3404 136 GLN N N 128.794 . 1 1338 3404 136 GLN NE2 N 112.994 . 1 1339 3405 137 VAL CA C 64.327 . 1 1340 3405 137 VAL CB C 30.577 . 1 1341 3405 137 VAL CG1 C 22.452 . 2 1342 3405 137 VAL CG2 C 20.265 . 2 1343 3405 137 VAL H H 9.262 . 1 1344 3405 137 VAL HA H 3.609 . 1 1345 3405 137 VAL HB H 1.856 . 1 1346 3405 137 VAL HG1 H 0.535 . 2 1347 3405 137 VAL HG2 H 0.444 . 2 1348 3405 137 VAL N N 127.794 . 1 1349 3406 138 ALA CA C 54.015 . 1 1350 3406 138 ALA CB C 17.452 . 1 1351 3406 138 ALA H H 8.509 . 1 1352 3406 138 ALA HA H 3.777 . 1 1353 3406 138 ALA HB H 0.921 . 1 1354 3406 138 ALA N N 134.194 . 1 1355 3407 139 HIS CA C 57.452 . 1 1356 3407 139 HIS CB C 28.39 . 1 1357 3407 139 HIS CD2 C 119.953 . 1 1358 3407 139 HIS H H 8.114 . 1 1359 3407 139 HIS HA H 4.375 . 1 1360 3407 139 HIS HB2 H 3.662 . 2 1361 3407 139 HIS HB3 H 2.938 . 2 1362 3407 139 HIS HD2 H 6.614 . . 1363 3407 139 HIS HE1 H 7.856 . 1 1364 3407 139 HIS N N 110.994 . 1 1365 3408 140 CYS CA C 64.015 . 1 1366 3408 140 CYS CB C 29.952 . 1 1367 3408 140 CYS H H 7.983 . 1 1368 3408 140 CYS HA H 4.1 . 1 1369 3408 140 CYS HB2 H 3.296 . 2 1370 3408 140 CYS HB3 H 2.545 . 2 1371 3408 140 CYS N N 126.594 . 1 1372 3409 141 ALA CA C 55.577 . 1 1373 3409 141 ALA CB C 18.077 . 1 1374 3409 141 ALA H H 8.689 . 1 1375 3409 141 ALA HA H 4.248 . 1 1376 3409 141 ALA HB H 1.476 . 1 1377 3409 141 ALA N N 118.994 . 1 1378 3410 142 SER CA C 60.89 . 1 1379 3410 142 SER CB C 61.827 . 1 1380 3410 142 SER H H 9.01 . 1 1381 3410 142 SER HA H 4.083 . 1 1382 3410 142 SER HB2 H 3.845 . 1 1383 3410 142 SER HB3 H 3.845 . 1 1384 3410 142 SER N N 114.194 . 1 1385 3411 143 SER CA C 63.702 . 1 1386 3411 143 SER CB C 62.765 . 1 1387 3411 143 SER H H 7.78 . 1 1388 3411 143 SER HA H 4.092 . 1 1389 3411 143 SER HB2 H 4.388 . 2 1390 3411 143 SER HB3 H 3.646 . 2 1391 3411 143 SER N N 119.994 . 1 1392 3412 144 ARG CA C 60.265 . 1 1393 3412 144 ARG CB C 30.265 . 1 1394 3412 144 ARG CD C 43.39 . 1 1395 3412 144 ARG CG C 28.077 . 1 1396 3412 144 ARG H H 8.759 . 1 1397 3412 144 ARG HA H 3.802 . 1 1398 3412 144 ARG HB2 H 2.048 . 2 1399 3412 144 ARG HB3 H 1.914 . 2 1400 3412 144 ARG HD2 H 3.25 . 1 1401 3412 144 ARG HD3 H 3.25 . 1 1402 3412 144 ARG HG2 H 1.544 . 2 1403 3412 144 ARG HG3 H 1.833 . 2 1404 3412 144 ARG N N 122.594 . 1 1405 3413 145 GLN CA C 59.015 . 1 1406 3413 145 GLN CB C 29.015 . 1 1407 3413 145 GLN CG C 34.327 . 1 1408 3413 145 GLN H H 7.848 . 1 1409 3413 145 GLN HA H 4.063 . 1 1410 3413 145 GLN HB2 H 2.286 . 2 1411 3413 145 GLN HB3 H 2.163 . 2 1412 3413 145 GLN HE21 H 6.88 . 2 1413 3413 145 GLN HE22 H 7.255 . 2 1414 3413 145 GLN HG2 H 2.49 . 2 1415 3413 145 GLN HG3 H 2.417 . 2 1416 3413 145 GLN N N 118.594 . 1 1417 3413 145 GLN NE2 N 110.594 . 1 1418 3414 146 ILE CA C 66.202 . 1 1419 3414 146 ILE CB C 38.39 . 1 1420 3414 146 ILE CD1 C 14.015 . 1 1421 3414 146 ILE CG1 C 29.952 . . 1422 3414 146 ILE CG2 C 18.077 . . 1423 3414 146 ILE H H 8.185 . 1 1424 3414 146 ILE HA H 3.678 . 1 1425 3414 146 ILE HB H 1.825 . 1 1426 3414 146 ILE HD1 H 0.797 . 1 1427 3414 146 ILE HG12 H 1.962 . 9 1428 3414 146 ILE HG13 H 0.926 . 9 1429 3414 146 ILE HG2 H 0.85 . 1 1430 3414 146 ILE N N 120.994 . 1 1431 3415 147 ILE CA C 64.952 . 1 1432 3415 147 ILE CB C 37.453 . 1 1433 3415 147 ILE CD1 C 13.077 . 1 1434 3415 147 ILE CG1 C 29.327 . 1 1435 3415 147 ILE CG2 C 18.077 . 1 1436 3415 147 ILE H H 8.561 . 1 1437 3415 147 ILE HA H 3.79 . 1 1438 3415 147 ILE HB H 1.843 . 1 1439 3415 147 ILE HD1 H 0.705 . 1 1440 3415 147 ILE HG12 H 0.997 . 9 1441 3415 147 ILE HG13 H 1.527 . 9 1442 3415 147 ILE HG2 H 0.85 . 1 1443 3415 147 ILE N N 120.194 . 1 1444 3416 148 SER CA C 62.14 . 1 1445 3416 148 SER CB C 62.765 . 1 1446 3416 148 SER H H 8.115 . 1 1447 3416 148 SER HA H 4.046 . 1 1448 3416 148 SER HB2 H 3.949 . 2 1449 3416 148 SER HB3 H 4.017 . 2 1450 3416 148 SER N N 114.194 . 1 1451 3417 149 HIS CB C 27.452 . 1 1452 3417 149 HIS CD2 C 120.265 . 1 1453 3417 149 HIS CE1 C 137.765 . 1 1454 3417 149 HIS H H 7.926 . 1 1455 3417 149 HIS HA H 4.337 . 1 1456 3417 149 HIS HB2 H 3.368 . 2 1457 3417 149 HIS HD2 H 6.775 . . 1458 3417 149 HIS HE1 H 8.095 . 1 1459 3417 149 HIS N N 119.194 . 1 1460 3418 150 TRP CA C 59.64 . 1 1461 3418 150 TRP CB C 29.952 . 1 1462 3418 150 TRP CD1 C 126.203 . 4 1463 3418 150 TRP CE3 C 120.89 . 4 1464 3418 150 TRP CH2 C 124.328 . 1 1465 3418 150 TRP CZ2 C 114.328 . 4 1466 3418 150 TRP CZ3 C 121.515 . 4 1467 3418 150 TRP H H 8.41 . 1 1468 3418 150 TRP HA H 4.384 . 1 1469 3418 150 TRP HB2 H 3.388 . 1 1470 3418 150 TRP HB3 H 3.388 . 1 1471 3418 150 TRP HD1 H 7.001 . 1 1472 3418 150 TRP HE1 H 9.974 . 4 1473 3418 150 TRP HE3 H 7.255 . 4 1474 3418 150 TRP HH2 H 6.955 . 1 1475 3418 150 TRP HZ2 H 7.301 . 4 1476 3418 150 TRP HZ3 H 6.997 . 4 1477 3418 150 TRP N N 119.394 . 1 1478 3418 150 TRP NE1 N 128.394 . 1 1479 3419 151 LYS CA C 58.39 . 1 1480 3419 151 LYS CB C 32.765 . 1 1481 3419 151 LYS H H 8.241 . 1 1482 3419 151 LYS HA H 3.466 . 1 1483 3419 151 LYS HB2 H 1.7 . 1 1484 3419 151 LYS HB3 H 1.7 . 1 1485 3420 152 ASN CA C 53.39 . 1 1486 3420 152 ASN CB C 40.89 . 1 1487 3420 152 ASN H H 7.204 . 1 1488 3420 152 ASN HA H 4.653 . 1 1489 3420 152 ASN HB2 H 2.553 . 2 1490 3420 152 ASN HB3 H 2.694 . 2 1491 3420 152 ASN HD21 H 7.594 . 2 1492 3420 152 ASN HD22 H 6.925 . 2 1493 3420 152 ASN N N 113.794 . 1 1494 3420 152 ASN ND2 N 114.794 . 1 1495 3421 153 CYS CA C 61.202 . 1 1496 3421 153 CYS CB C 29.015 . 1 1497 3421 153 CYS H H 7.548 . 1 1498 3421 153 CYS HA H 3.956 . 1 1499 3421 153 CYS HB2 H 1.905 . 2 1500 3421 153 CYS HB3 H 2.673 . 2 1501 3421 153 CYS N N 124.394 . 1 1502 3422 154 THR CA C 60.577 . 1 1503 3422 154 THR CB C 69.64 . 1 1504 3422 154 THR CG2 C 21.202 . 1 1505 3422 154 THR H H 8.498 . 1 1506 3422 154 THR HA H 4.494 . 1 1507 3422 154 THR HB H 4.518 . 1 1508 3422 154 THR HG2 H 1.105 . 1 1509 3422 154 THR N N 118.794 . 1 1510 3423 155 ARG CA C 56.202 . 1 1511 3423 155 ARG CB C 31.515 . 1 1512 3423 155 ARG CD C 44.015 . 1 1513 3423 155 ARG CG C 27.14 . 1 1514 3423 155 ARG H H 8.085 . 1 1515 3423 155 ARG HA H 4.382 . 1 1516 3423 155 ARG HB2 H 1.948 . 2 1517 3423 155 ARG HB3 H 1.85 . 2 1518 3423 155 ARG HD2 H 3.206 . 2 1519 3423 155 ARG HD3 H 3.344 . 2 1520 3423 155 ARG HG2 H 1.852 . 2 1521 3423 155 ARG HG3 H 1.646 . 2 1522 3424 156 HIS CA C 58.077 . 1 1523 3424 156 HIS CB C 29.327 . 1 1524 3424 156 HIS CD2 C 119.64 . 1 1525 3424 156 HIS CE1 C 139.952 . 1 1526 3424 156 HIS HA H 4.379 . 1 1527 3424 156 HIS HB2 H 3.197 . 1 1528 3424 156 HIS HB3 H 3.197 . 1 1529 3424 156 HIS HD2 H 7.165 . . 1530 3424 156 HIS HE1 H 8.005 . 1 1531 3425 157 ASP CA C 52.14 . 1 1532 3425 157 ASP CB C 39.64 . 1 1533 3425 157 ASP H H 8.11 . 1 1534 3425 157 ASP HA H 4.478 . 1 1535 3425 157 ASP HB2 H 2.314 . 2 1536 3425 157 ASP HB3 H 2.779 . 2 1537 3425 157 ASP N N 117.594 . 1 1538 3426 158 CYS CA C 57.452 . 1 1539 3426 158 CYS CB C 31.202 . 1 1540 3426 158 CYS H H 7.026 . 1 1541 3426 158 CYS HA H 4.319 . 1 1542 3426 158 CYS HB2 H 2.962 . 2 1543 3426 158 CYS HB3 H 1.872 . 2 1544 3426 158 CYS N N 122.394 . 1 1545 3427 159 PRO CA C 64.327 . 1 1546 3427 159 PRO CB C 32.453 . 1 1547 3427 159 PRO CD C 51.202 . 1 1548 3427 159 PRO CG C 27.452 . 1 1549 3427 159 PRO HA H 4.424 . 1 1550 3427 159 PRO HB2 H 2.337 . 2 1551 3427 159 PRO HB3 H 2.365 . 2 1552 3427 159 PRO HD2 H 4.062 . 1 1553 3427 159 PRO HD3 H 4.062 . 1 1554 3427 159 PRO HG2 H 2.134 . 2 1555 3427 159 PRO HG3 H 1.944 . 2 1556 3428 160 VAL CA C 65.577 . 1 1557 3428 160 VAL CB C 33.078 . 1 1558 3428 160 VAL CG1 C 21.827 . 2 1559 3428 160 VAL CG2 C 22.765 . 2 1560 3428 160 VAL H H 8.417 . 1 1561 3428 160 VAL HA H 3.776 . 1 1562 3428 160 VAL HB H 2.138 . 1 1563 3428 160 VAL HG1 H 0.86 . 2 1564 3428 160 VAL HG2 H 0.752 . 2 1565 3428 160 VAL N N 120.194 . 1 1566 3429 161 CYS CA C 63.39 . 1 1567 3429 161 CYS CB C 31.202 . 1 1568 3429 161 CYS H H 8.437 . 1 1569 3429 161 CYS HA H 4.278 . 1 1570 3429 161 CYS HB2 H 2.917 . 2 1571 3429 161 CYS HB3 H 3.076 . 2 1572 3429 161 CYS N N 119.194 . 1 1573 3430 162 LEU CA C 59.952 . 1 1574 3430 162 LEU CB C 39.64 . 1 1575 3430 162 LEU CD1 C 24.952 . 2 1576 3430 162 LEU CD2 C 24.015 . 2 1577 3430 162 LEU CG C 27.453 . 1 1578 3430 162 LEU H H 7.821 . 1 1579 3430 162 LEU HA H 4.196 . 1 1580 3430 162 LEU HB2 H 1.812 . 2 1581 3430 162 LEU HB3 H 1.708 . 2 1582 3430 162 LEU HD1 H 0.865 . 2 1583 3430 162 LEU HD2 H 0.872 . 2 1584 3430 162 LEU HG H 1.615 . 1 1585 3430 162 LEU N N 119.994 . 1 1586 3431 163 PRO CA C 65.265 . 1 1587 3431 163 PRO CB C 31.515 . 1 1588 3431 163 PRO CD C 50.265 . 1 1589 3431 163 PRO CG C 28.39 . 1 1590 3431 163 PRO HA H 4.381 . 1 1591 3431 163 PRO HB2 H 1.62 . 2 1592 3431 163 PRO HB3 H 2.327 . 2 1593 3431 163 PRO HD2 H 3.603 . 2 1594 3431 163 PRO HD3 H 3.503 . 2 1595 3431 163 PRO HG2 H 1.931 . 2 1596 3431 163 PRO HG3 H 1.909 . 2 1597 3432 164 LEU CA C 55.577 . 1 1598 3432 164 LEU CB C 42.453 . 1 1599 3432 164 LEU CD1 C 26.202 . 2 1600 3432 164 LEU CD2 C 24.015 . 2 1601 3432 164 LEU H H 7.437 . 1 1602 3432 164 LEU HA H 4.261 . 1 1603 3432 164 LEU HB2 H 1.942 . 2 1604 3432 164 LEU HB3 H 1.641 . 2 1605 3432 164 LEU HD1 H 0.774 . 2 1606 3432 164 LEU HD2 H 0.603 . 2 1607 3432 164 LEU HG H 1.616 . 1 1608 3432 164 LEU N N 115.794 . 1 1609 3433 165 LYS CA C 57.765 . 1 1610 3433 165 LYS CB C 32.765 . 1 1611 3433 165 LYS CD C 29.015 . 1 1612 3433 165 LYS CE C 42.14 . 1 1613 3433 165 LYS CG C 25.577 . 1 1614 3433 165 LYS H H 7.936 . 1 1615 3433 165 LYS HA H 4.311 . 1 1616 3433 165 LYS HB2 H 1.857 . 2 1617 3433 165 LYS HD2 H 1.572 . 1 1618 3433 165 LYS HD3 H 1.572 . 1 1619 3433 165 LYS HE2 H 2.717 . 1 1620 3433 165 LYS HE3 H 2.717 . 1 1621 3433 165 LYS HG2 H 1.566 . 2 1622 3433 165 LYS HG3 H 1.428 . 2 1623 3433 165 LYS N N 119.394 . 1 1624 3434 166 ASN CA C 53.39 . 1 1625 3434 166 ASN CB C 39.015 . 1 1626 3434 166 ASN H H 8.263 . 1 1627 3434 166 ASN HA H 4.69 . 1 1628 3434 166 ASN HB2 H 2.745 . 2 1629 3434 166 ASN HB3 H 2.858 . 2 1630 3434 166 ASN HD21 H 7.536 . 2 1631 3434 166 ASN HD22 H 6.851 . 2 1632 3434 166 ASN N N 118.194 . 1 1633 3434 166 ASN ND2 N 111.994 . 1 1634 3435 167 ALA CA C 53.077 . 1 1635 3435 167 ALA CB C 19.015 . 1 1636 3435 167 ALA H H 8.036 . 1 1637 3435 167 ALA HA H 4.349 . 1 1638 3435 167 ALA HB H 1.438 . 1 1639 3435 167 ALA N N 123.794 . 1 1640 3436 168 SER CA C 58.702 . 1 1641 3436 168 SER CB C 64.015 . 1 1642 3436 168 SER H H 8.137 . 1 1643 3436 168 SER HA H 4.426 . 1 1644 3436 168 SER HB2 H 3.867 . 2 1645 3436 168 SER HB3 H 3.918 . 2 1646 3436 168 SER N N 114.194 . 1 1647 3437 169 ASP CA C 54.327 . 1 1648 3437 169 ASP CB C 40.89 . 1 1649 3437 169 ASP H H 8.228 . 1 1650 3437 169 ASP HA H 4.616 . 1 1651 3437 169 ASP HB2 H 2.682 . 2 1652 3437 169 ASP HB3 H 2.686 . 2 1653 3437 169 ASP N N 121.994 . 1 1654 3438 170 LYS CA C 56.202 . 1 1655 3438 170 LYS CB C 32.765 . 1 1656 3438 170 LYS CE C 42.14 . 1 1657 3438 170 LYS CG C 24.64 . 1 1658 3438 170 LYS H H 8.04 . 1 1659 3438 170 LYS HA H 4.331 . 1 1660 3438 170 LYS HB2 H 1.748 . 2 1661 3438 170 LYS HB3 H 1.854 . 2 1662 3438 170 LYS HD2 H 1.661 . 1 1663 3438 170 LYS HD3 H 1.661 . 1 1664 3438 170 LYS HE2 H 2.975 . 1 1665 3438 170 LYS HE3 H 2.975 . 1 1666 3438 170 LYS HG2 H 1.431 . 2 1667 3438 170 LYS HG3 H 1.406 . 2 1668 3438 170 LYS N N 121.594 . 1 1669 3439 171 ARG CA C 57.452 . 1 1670 3439 171 ARG CB C 31.515 . 1 1671 3439 171 ARG CD C 43.39 . 1 1672 3439 171 ARG CG C 27.14 . 1 1673 3439 171 ARG H H 7.891 . 1 1674 3439 171 ARG HA H 4.155 . 1 1675 3439 171 ARG HB2 H 1.707 . 2 1676 3439 171 ARG HB3 H 1.84 . 2 1677 3439 171 ARG HD2 H 3.165 . 1 1678 3439 171 ARG HD3 H 3.165 . 1 1679 3439 171 ARG HG2 H 1.587 . 1 1680 3439 171 ARG HG3 H 1.587 . 1 1681 3439 171 ARG N N 127.794 . 1 stop_ save_