data_5968 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the human dematin headpiece domain ; _BMRB_accession_number 5968 _BMRB_flat_file_name bmr5968.str _Entry_type original _Submission_date 2003-10-13 _Accession_date 2003-10-13 _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 Frank B. S. . 2 Vardar D. . . 3 Chishti A. H. . 4 McKnight C. J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 413 "13C chemical shifts" 291 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-02-12 original author . stop_ _Original_release_date 2004-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The NMR Structure Dematin Headpiece Reveals a Dynamic Loop that is Conformationally Altered Upon Phosphorylation at a Distal Site ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14660664 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Frank B. S. . 2 Vardar D. . . 3 Chishti A. H. . 4 McKnight C. J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'DEMATIN HEADPIECE' 'VILLIN HEADPIECE' 'ACTIN BINDING DOMAIN' stop_ save_ ################################## # Molecular system description # ################################## save_system_dematin _Saveframe_category molecular_system _Mol_system_name dematin _Abbreviation_common dematin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label dematin $dematin stop_ _System_molecular_weight . _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_dematin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common dematin _Abbreviation_common dematin _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; PGLQIYPYEMLVVTNKGRTK LPPGVDRMRLERHLSAEDFS RVFAMSPEEFGKLALWKRNE LKKKASLF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 9 PRO 2 10 GLY 3 11 LEU 4 12 GLN 5 13 ILE 6 14 TYR 7 15 PRO 8 16 TYR 9 17 GLU 10 18 MET 11 19 LEU 12 20 VAL 13 21 VAL 14 22 THR 15 23 ASN 16 24 LYS 17 25 GLY 18 26 ARG 19 27 THR 20 28 LYS 21 29 LEU 22 30 PRO 23 31 PRO 24 32 GLY 25 33 VAL 26 34 ASP 27 35 ARG 28 36 MET 29 37 ARG 30 38 LEU 31 39 GLU 32 40 ARG 33 41 HIS 34 42 LEU 35 43 SER 36 44 ALA 37 45 GLU 38 46 ASP 39 47 PHE 40 48 SER 41 49 ARG 42 50 VAL 43 51 PHE 44 52 ALA 45 53 MET 46 54 SER 47 55 PRO 48 56 GLU 49 57 GLU 50 58 PHE 51 59 GLY 52 60 LYS 53 61 LEU 54 62 ALA 55 63 LEU 56 64 TRP 57 65 LYS 58 66 ARG 59 67 ASN 60 68 GLU 61 69 LEU 62 70 LYS 63 71 LYS 64 72 LYS 65 73 ALA 66 74 SER 67 75 LEU 68 76 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 6718 DHPs74e 100.00 68 98.53 98.53 1.88e-40 PDB 1QZP "Nmr Structure Of The Human Dematin Headpiece Domain" 100.00 68 100.00 100.00 3.12e-41 PDB 1ZV6 "Nmr Structure Of The Human Dematin Headpiece S74e Mutant" 98.53 68 98.51 98.51 1.39e-39 DBJ BAD92955 "Dematin variant [Homo sapiens]" 95.59 518 98.46 100.00 2.39e-35 DBJ BAE28799 "unnamed protein product [Mus musculus]" 95.59 380 98.46 100.00 1.02e-35 DBJ BAE34638 "unnamed protein product [Mus musculus]" 95.59 380 98.46 100.00 9.60e-36 DBJ BAE37092 "unnamed protein product [Mus musculus]" 100.00 358 100.00 100.00 3.99e-39 DBJ BAE38123 "unnamed protein product [Mus musculus]" 100.00 383 100.00 100.00 3.90e-39 EMBL CAH92510 "hypothetical protein [Pongo abelii]" 100.00 358 100.00 100.00 5.13e-39 EMBL CAH93265 "hypothetical protein [Pongo abelii]" 100.00 383 100.00 100.00 4.60e-39 EMBL CAH93400 "hypothetical protein [Pongo abelii]" 95.59 405 98.46 100.00 1.04e-35 GB AAA58438 "dematin [Homo sapiens]" 100.00 383 97.06 98.53 2.65e-37 GB AAC50223 "dematin 52 kDa subunit [Homo sapiens]" 95.59 405 98.46 100.00 1.12e-35 GB AAD34233 "dematin 48 kDa subunit [Mus musculus]" 100.00 383 100.00 100.00 3.90e-39 GB AAD38412 "dematin 52 kDa subunit [Mus musculus]" 95.59 405 98.46 100.00 8.42e-36 GB AAH06318 "EPB49 protein [Homo sapiens]" 95.59 405 98.46 100.00 1.04e-35 REF NP_001029603 "dematin [Bos taurus]" 100.00 358 97.06 100.00 2.74e-38 REF NP_001107607 "dematin isoform 1 [Homo sapiens]" 95.59 405 98.46 100.00 1.04e-35 REF NP_001107608 "dematin isoform 1 [Homo sapiens]" 95.59 405 98.46 100.00 1.04e-35 REF NP_001107609 "dematin isoform 2 [Homo sapiens]" 100.00 383 100.00 100.00 4.80e-39 REF NP_001107610 "dematin isoform 2 [Homo sapiens]" 100.00 383 100.00 100.00 4.80e-39 SP Q08495 "RecName: Full=Dematin; AltName: Full=Dematin actin-binding protein; AltName: Full=Erythrocyte membrane protein band 4.9 [Homo s" 95.59 405 98.46 100.00 1.04e-35 SP Q5R4B6 "RecName: Full=Dematin; AltName: Full=Dematin actin-binding protein; AltName: Full=Erythrocyte membrane protein band 4.9 [Pongo " 95.59 405 98.46 100.00 1.04e-35 SP Q9WV69 "RecName: Full=Dematin; AltName: Full=Dematin actin-binding protein; AltName: Full=Erythrocyte membrane protein band 4.9 [Mus mu" 95.59 405 98.46 100.00 8.42e-36 TPG DAA26732 "TPA: dematin [Bos taurus]" 100.00 358 97.06 100.00 2.74e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $dematin Human 9606 Eukaryota Metazoa Homo sapiens 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 $dematin 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dematin 1 mM '[U-13C; U-15N]' phosphat 10 mM . TMSP 0.5 mM . 'sodium azide' 0.01 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dematin 4 mM [U-15N] phosphat 10 mM . TMSP 0.5 mM . 'sodium azide' 0.01 % . D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dematin 0.7 mM '[U-10% 13C; U-15N]' phosphat 10 mM . TMSP 0.5 mM . 'sodium azide' 0.01 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.0 loop_ _Task 'structure solution' stop_ _Details Brunger save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version sgi6x loop_ _Task processing stop_ _Details Delaglio save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.1 loop_ _Task collection stop_ _Details Bruker save_ save_NMRView _Saveframe_category software _Name NMRView _Version 4.1.2 loop_ _Task 'data analysis' stop_ _Details Johnson save_ save_MOLMOL _Saveframe_category software _Name MOLMOL _Version 2k.2 loop_ _Task refinement stop_ _Details Koradi save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCOCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label . save_ save_3D_15N-separated_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_15N-separated_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated TOCSY' _Sample_label . save_ save_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_2D_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . n/a temperature 293 . K 'ionic strength' 10 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . . C 13 . ppm . . . . . . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name dematin _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 PRO HA H 4.450 . 1 2 . 1 PRO CB C 32.400 . 1 3 . 1 PRO HB3 H 2.480 . 2 4 . 1 PRO HB2 H 2.120 . 2 5 . 1 PRO CG C 26.400 . 1 6 . 1 PRO HG3 H 2.080 . 2 7 . 1 PRO CD C 49.250 . 1 8 . 1 PRO HD3 H 3.400 . 2 9 . 1 PRO HD2 H 3.440 . 2 10 . 2 GLY N N 108.500 . 1 11 . 2 GLY H H 8.850 . 1 12 . 2 GLY CA C 44.800 . 1 13 . 2 GLY HA3 H 4.050 . 2 14 . 2 GLY C C 169.000 . 1 15 . 3 LEU N N 122.500 . 1 16 . 3 LEU H H 8.240 . 1 17 . 3 LEU CA C 54.800 . 1 18 . 3 LEU HA H 4.410 . 1 19 . 3 LEU CB C 42.700 . 1 20 . 3 LEU HB3 H 1.380 . 2 21 . 3 LEU HB2 H 1.470 . 2 22 . 3 LEU CG C 27.400 . 1 23 . 3 LEU HG H 1.540 . 1 24 . 3 LEU CD1 C 24.500 . 1 25 . 3 LEU HD1 H 0.720 . 1 26 . 3 LEU CD2 C 23.700 . 1 27 . 3 LEU HD2 H 0.800 . 1 28 . 3 LEU C C 176.400 . 1 29 . 4 GLN N N 123.300 . 1 30 . 4 GLN H H 8.840 . 1 31 . 4 GLN CA C 55.900 . 1 32 . 4 GLN HA H 4.180 . 1 33 . 4 GLN CB C 29.400 . 1 34 . 4 GLN HB3 H 1.890 . 2 35 . 4 GLN HB2 H 2.050 . 2 36 . 4 GLN CG C 34.000 . 1 37 . 4 GLN HG3 H 2.160 . 2 38 . 4 GLN HG2 H 2.290 . 2 39 . 4 GLN CD C 183.500 . 1 40 . 4 GLN NE2 N 113.100 . 1 41 . 4 GLN HE21 H 6.860 . 2 42 . 4 GLN HE22 H 7.490 . 2 43 . 4 GLN C C 171.300 . 1 44 . 5 ILE N N 125.000 . 1 45 . 5 ILE H H 7.980 . 1 46 . 5 ILE CA C 58.500 . 1 47 . 5 ILE HA H 4.770 . 1 48 . 5 ILE CB C 38.300 . 1 49 . 5 ILE HB H 1.700 . 1 50 . 5 ILE CG1 C 27.400 . 1 51 . 5 ILE HG13 H 1.260 . 1 52 . 5 ILE HG12 H 1.370 . 1 53 . 5 ILE CD1 C 11.000 . 1 54 . 5 ILE HD1 H 0.670 . 1 55 . 5 ILE CG2 C 17.900 . 1 56 . 5 ILE HG2 H 0.840 . 1 57 . 5 ILE C C 175.200 . 1 58 . 6 TYR N N 124.700 . 1 59 . 6 TYR H H 9.010 . 1 60 . 6 TYR CA C 55.700 . 1 61 . 6 TYR HA H 5.070 . 1 62 . 6 TYR CB C 41.300 . 1 63 . 6 TYR HB3 H 3.120 . 2 64 . 6 TYR HB2 H 2.330 . 2 65 . 6 TYR HD1 H 7.040 . 1 66 . 6 TYR HE1 H 6.590 . 1 67 . 6 TYR HE2 H 6.590 . 1 68 . 6 TYR HD2 H 7.040 . 1 69 . 6 TYR C C 168.400 . 1 70 . 7 PRO CA C 63.100 . 1 71 . 7 PRO HA H 4.520 . 1 72 . 7 PRO CB C 33.400 . 1 73 . 7 PRO HB3 H 2.710 . 2 74 . 7 PRO HB2 H 1.960 . 2 75 . 7 PRO CG C 28.000 . 1 76 . 7 PRO HG3 H 2.230 . 2 77 . 7 PRO HG2 H 2.170 . 2 78 . 7 PRO CD C 51.200 . 1 79 . 7 PRO HD3 H 4.020 . 2 80 . 7 PRO HD2 H 4.110 . 2 81 . 7 PRO C C 176.900 . 1 82 . 8 TYR N N 124.100 . 1 83 . 8 TYR H H 8.300 . 1 84 . 8 TYR CA C 61.100 . 1 85 . 8 TYR HA H 4.070 . 1 86 . 8 TYR CB C 38.700 . 1 87 . 8 TYR HB3 H 2.650 . 2 88 . 8 TYR HB2 H 3.030 . 2 89 . 8 TYR HD1 H 6.900 . 1 90 . 8 TYR HE1 H 6.640 . 1 91 . 8 TYR HH H 9.690 . 1 92 . 8 TYR HE2 H 6.640 . 1 93 . 8 TYR HD2 H 6.900 . 1 94 . 8 TYR C C 174.300 . 1 95 . 9 GLU N N 114.400 . 1 96 . 9 GLU H H 9.370 . 1 97 . 9 GLU CA C 60.600 . 1 98 . 9 GLU HA H 3.500 . 1 99 . 9 GLU CB C 28.600 . 1 100 . 9 GLU HB2 H 1.970 . 2 101 . 9 GLU CG C 37.600 . 1 102 . 9 GLU HG3 H 2.260 . 2 103 . 9 GLU HG2 H 2.520 . 2 104 . 9 GLU C C 179.000 . 1 105 . 10 MET N N 115.400 . 1 106 . 10 MET H H 7.610 . 1 107 . 10 MET CA C 57.200 . 1 108 . 10 MET HA H 4.240 . 1 109 . 10 MET CB C 33.800 . 1 110 . 10 MET HB3 H 2.130 . 2 111 . 10 MET CG C 33.200 . 1 112 . 10 MET HG3 H 2.530 . 2 113 . 10 MET HG2 H 2.670 . 2 114 . 10 MET CE C 16.800 . 1 115 . 10 MET HE H 2.130 . 1 116 . 10 MET C C 175.800 . 1 117 . 11 LEU N N 119.100 . 1 118 . 11 LEU H H 7.640 . 1 119 . 11 LEU CA C 54.700 . 1 120 . 11 LEU HA H 4.100 . 1 121 . 11 LEU CB C 43.300 . 1 122 . 11 LEU HB3 H 1.760 . 1 123 . 11 LEU HB2 H 1.480 . 1 124 . 11 LEU CG C 26.100 . 1 125 . 11 LEU HG H 1.610 . 1 126 . 11 LEU CD1 C 26.900 . 1 127 . 11 LEU HD1 H 1.040 . 1 128 . 11 LEU CD2 C 22.400 . 1 129 . 11 LEU HD2 H 0.590 . 1 130 . 11 LEU C C 171.900 . 1 131 . 12 VAL N N 112.900 . 1 132 . 12 VAL H H 6.530 . 1 133 . 12 VAL CA C 63.300 . 1 134 . 12 VAL HA H 3.820 . 1 135 . 12 VAL CB C 32.800 . 1 136 . 12 VAL HB H 1.730 . 1 137 . 12 VAL CG2 C 20.700 . 1 138 . 12 VAL HG2 H 0.550 . 1 139 . 12 VAL CG1 C 21.600 . 1 140 . 12 VAL HG1 H 0.680 . 1 141 . 12 VAL C C 178.100 . 1 142 . 13 VAL N N 121.800 . 1 143 . 13 VAL H H 8.380 . 1 144 . 13 VAL CA C 62.900 . 1 145 . 13 VAL HA H 4.100 . 1 146 . 13 VAL CB C 32.600 . 1 147 . 13 VAL HB H 2.050 . 1 148 . 13 VAL CG2 C 20.200 . 1 149 . 13 VAL HG2 H 0.880 . 1 150 . 13 VAL CG1 C 21.300 . 1 151 . 13 VAL HG1 H 0.900 . 1 152 . 13 VAL C C 176.600 . 1 153 . 14 THR N N 115.300 . 1 154 . 14 THR H H 7.930 . 1 155 . 14 THR CA C 61.900 . 1 156 . 14 THR HA H 4.390 . 1 157 . 14 THR CB C 70.100 . 1 158 . 14 THR HB H 4.290 . 1 159 . 14 THR CG2 C 21.400 . 1 160 . 14 THR HG2 H 1.180 . 1 161 . 14 THR C C 172.300 . 1 162 . 15 ASN N N 119.900 . 1 163 . 15 ASN H H 8.370 . 1 164 . 15 ASN CA C 54.100 . 1 165 . 15 ASN HA H 4.640 . 1 166 . 15 ASN CB C 38.300 . 1 167 . 15 ASN HB3 H 2.850 . 2 168 . 15 ASN HB2 H 2.900 . 2 169 . 15 ASN CG C 175.900 . 1 170 . 15 ASN ND2 N 112.800 . 1 171 . 15 ASN HD21 H 6.980 . 2 172 . 15 ASN HD22 H 7.550 . 2 173 . 15 ASN C C 174.000 . 1 174 . 16 LYS N N 119.900 . 1 175 . 16 LYS H H 8.240 . 1 176 . 16 LYS CA C 56.700 . 1 177 . 16 LYS HA H 4.290 . 1 178 . 16 LYS CB C 32.500 . 1 179 . 16 LYS HB3 H 1.910 . 2 180 . 16 LYS HB2 H 1.780 . 2 181 . 16 LYS CG C 24.900 . 1 182 . 16 LYS HG3 H 1.480 . 2 183 . 16 LYS HG2 H 1.420 . 2 184 . 16 LYS CD C 29.200 . 1 185 . 16 LYS HD3 H 1.670 . 2 186 . 16 LYS CE C 42.100 . 1 187 . 16 LYS HE3 H 3.000 . 2 188 . 16 LYS C C 176.800 . 1 189 . 17 GLY N N 108.600 . 1 190 . 17 GLY H H 8.200 . 1 191 . 17 GLY CA C 45.100 . 1 192 . 17 GLY HA3 H 3.960 . 2 193 . 17 GLY HA2 H 4.020 . 2 194 . 17 GLY C C 170.500 . 1 195 . 18 ARG N N 120.400 . 1 196 . 18 ARG H H 8.220 . 1 197 . 18 ARG CA C 56.300 . 1 198 . 18 ARG HA H 4.360 . 1 199 . 18 ARG CB C 30.400 . 1 200 . 18 ARG HB3 H 1.790 . 2 201 . 18 ARG HB2 H 1.890 . 2 202 . 18 ARG CG C 27.400 . 1 203 . 18 ARG HG3 H 1.620 . 2 204 . 18 ARG CD C 43.400 . 1 205 . 18 ARG HD3 H 3.160 . 2 206 . 18 ARG HD2 H 3.240 . 2 207 . 18 ARG NE N 83.900 . 1 208 . 18 ARG HE H 7.460 . 1 209 . 18 ARG C C 175.600 . 1 210 . 19 THR N N 115.300 . 1 211 . 19 THR H H 8.080 . 1 212 . 19 THR CA C 62.200 . 1 213 . 19 THR HA H 4.310 . 1 214 . 19 THR CB C 70.100 . 1 215 . 19 THR HB H 4.160 . 1 216 . 19 THR CG2 C 21.900 . 1 217 . 19 THR HG2 H 1.190 . 1 218 . 19 THR C C 170.300 . 1 219 . 20 LYS N N 124.500 . 1 220 . 20 LYS H H 8.420 . 1 221 . 20 LYS CA C 55.500 . 1 222 . 20 LYS HA H 4.380 . 1 223 . 20 LYS CB C 33.300 . 1 224 . 20 LYS HB3 H 1.660 . 2 225 . 20 LYS HB2 H 1.810 . 2 226 . 20 LYS CG C 24.500 . 1 227 . 20 LYS HG3 H 1.380 . 2 228 . 20 LYS HE3 H 2.980 . 2 229 . 20 LYS C C 174.000 . 1 230 . 21 LEU N N 125.500 . 1 231 . 21 LEU H H 8.240 . 1 232 . 21 LEU CA C 53.100 . 1 233 . 21 LEU HA H 4.410 . 1 234 . 21 LEU CB C 41.900 . 1 235 . 21 LEU HB3 H 1.550 . 1 236 . 21 LEU HB2 H 1.160 . 1 237 . 21 LEU CG C 27.200 . 1 238 . 21 LEU HG H 1.600 . 1 239 . 21 LEU CD1 C 25.900 . 1 240 . 21 LEU HD1 H 0.810 . 1 241 . 21 LEU CD2 C 23.650 . 1 242 . 21 LEU HD2 H 0.810 . 1 243 . 21 LEU C C 170.900 . 1 244 . 22 PRO CA C 61.200 . 1 245 . 22 PRO HA H 4.520 . 1 246 . 22 PRO CB C 30.400 . 1 247 . 22 PRO HB3 H 1.180 . 2 248 . 22 PRO HB2 H 2.020 . 2 249 . 22 PRO CG C 27.400 . 1 250 . 22 PRO HG3 H 1.430 . 2 251 . 22 PRO HG2 H 0.890 . 2 252 . 22 PRO CD C 50.250 . 1 253 . 22 PRO HD3 H 3.710 . 2 254 . 22 PRO HD2 H 2.840 . 2 255 . 23 PRO CA C 63.600 . 1 256 . 23 PRO HA H 4.320 . 1 257 . 23 PRO CB C 31.800 . 1 258 . 23 PRO HB3 H 2.310 . 2 259 . 23 PRO HB2 H 1.910 . 2 260 . 23 PRO CG C 27.700 . 1 261 . 23 PRO HG3 H 2.120 . 2 262 . 23 PRO HG2 H 2.020 . 2 263 . 23 PRO CD C 50.300 . 1 264 . 23 PRO HD3 H 3.780 . 2 265 . 23 PRO HD2 H 3.600 . 2 266 . 23 PRO C C 179.200 . 1 267 . 24 GLY N N 109.800 . 1 268 . 24 GLY H H 8.690 . 1 269 . 24 GLY CA C 45.600 . 1 270 . 24 GLY HA3 H 4.150 . 2 271 . 24 GLY HA2 H 3.780 . 2 272 . 24 GLY C C 171.600 . 1 273 . 25 VAL N N 116.800 . 1 274 . 25 VAL H H 7.030 . 1 275 . 25 VAL CA C 61.300 . 1 276 . 25 VAL HA H 3.880 . 1 277 . 25 VAL CB C 32.400 . 1 278 . 25 VAL HB H 1.630 . 1 279 . 25 VAL CG2 C 21.400 . 1 280 . 25 VAL HG2 H 0.410 . 1 281 . 25 VAL CG1 C 21.900 . 1 282 . 25 VAL HG1 H 0.340 . 1 283 . 25 VAL C C 172.400 . 1 284 . 26 ASP N N 127.600 . 1 285 . 26 ASP H H 9.170 . 1 286 . 26 ASP CA C 52.600 . 1 287 . 26 ASP HA H 4.690 . 1 288 . 26 ASP CB C 41.300 . 1 289 . 26 ASP HB3 H 3.150 . 2 290 . 26 ASP HB2 H 2.670 . 2 291 . 26 ASP C C 176.500 . 1 292 . 27 ARG N N 125.700 . 1 293 . 27 ARG H H 8.650 . 1 294 . 27 ARG CA C 58.000 . 1 295 . 27 ARG HA H 3.870 . 1 296 . 27 ARG CB C 29.900 . 1 297 . 27 ARG HB3 H 1.880 . 2 298 . 27 ARG NE N 84.600 . 1 299 . 27 ARG HE H 7.300 . 1 300 . 27 ARG C C 178.000 . 1 301 . 28 MET N N 116.100 . 1 302 . 28 MET H H 8.630 . 1 303 . 28 MET CA C 55.600 . 1 304 . 28 MET HA H 4.670 . 1 305 . 28 MET CB C 32.000 . 1 306 . 28 MET HB3 H 2.240 . 2 307 . 28 MET CG C 32.400 . 1 308 . 28 MET HG3 H 2.800 . 2 309 . 28 MET HG2 H 2.560 . 2 310 . 28 MET CE C 17.200 . 1 311 . 28 MET HE H 2.100 . 1 312 . 28 MET C C 177.300 . 1 313 . 29 ARG N N 121.800 . 1 314 . 29 ARG H H 7.950 . 1 315 . 29 ARG CA C 53.600 . 1 316 . 29 ARG HA H 5.010 . 1 317 . 29 ARG CB C 31.100 . 1 318 . 29 ARG HB3 H 1.620 . 2 319 . 29 ARG HB2 H 1.910 . 2 320 . 29 ARG CG C 26.900 . 1 321 . 29 ARG HG2 H 1.550 . 2 322 . 29 ARG CD C 43.500 . 1 323 . 29 ARG HD3 H 3.220 . 2 324 . 29 ARG NE N 84.500 . 1 325 . 29 ARG HE H 7.540 . 1 326 . 29 ARG C C 176.500 . 1 327 . 30 LEU N N 121.500 . 1 328 . 30 LEU H H 8.630 . 1 329 . 30 LEU CA C 58.500 . 1 330 . 30 LEU HA H 4.210 . 1 331 . 30 LEU CB C 43.300 . 1 332 . 30 LEU HB3 H 1.550 . 1 333 . 30 LEU HB2 H 2.050 . 1 334 . 30 LEU CG C 27.000 . 1 335 . 30 LEU HG H 2.060 . 1 336 . 30 LEU CD1 C 25.500 . 1 337 . 30 LEU HD1 H 1.030 . 1 338 . 30 LEU CD2 C 25.000 . 1 339 . 30 LEU HD2 H 0.880 . 1 340 . 30 LEU C C 180.300 . 1 341 . 31 GLU N N 116.200 . 1 342 . 31 GLU H H 10.440 . 1 343 . 31 GLU CA C 58.500 . 1 344 . 31 GLU HA H 4.250 . 1 345 . 31 GLU CB C 27.400 . 1 346 . 31 GLU HB3 H 1.900 . 2 347 . 31 GLU HB2 H 2.060 . 2 348 . 31 GLU CG C 33.900 . 1 349 . 31 GLU HG3 H 2.230 . 2 350 . 31 GLU HG2 H 2.320 . 2 351 . 31 GLU C C 177.100 . 1 352 . 32 ARG N N 120.000 . 1 353 . 32 ARG H H 7.960 . 1 354 . 32 ARG CA C 57.300 . 1 355 . 32 ARG HA H 4.310 . 1 356 . 32 ARG CB C 29.700 . 1 357 . 32 ARG HB3 H 1.840 . 2 358 . 32 ARG CG C 27.400 . 1 359 . 32 ARG HG3 H 1.680 . 2 360 . 32 ARG CD C 43.400 . 1 361 . 32 ARG HD3 H 3.180 . 2 362 . 32 ARG NE N 83.900 . 1 363 . 32 ARG HE H 7.300 . 1 364 . 32 ARG C C 174.100 . 1 365 . 33 HIS N N 116.100 . 1 366 . 33 HIS H H 7.890 . 1 367 . 33 HIS CA C 56.100 . 1 368 . 33 HIS HA H 4.620 . 1 369 . 33 HIS CB C 29.400 . 1 370 . 33 HIS HB3 H 3.370 . 2 371 . 33 HIS HB2 H 3.920 . 2 372 . 33 HIS HD2 H 7.160 . 1 373 . 33 HIS HE1 H 8.100 . 1 374 . 33 HIS C C 166.900 . 1 375 . 34 LEU N N 115.800 . 1 376 . 34 LEU H H 6.810 . 1 377 . 34 LEU CA C 53.100 . 1 378 . 34 LEU HA H 5.110 . 1 379 . 34 LEU CB C 44.300 . 1 380 . 34 LEU HB3 H 2.150 . 1 381 . 34 LEU HB2 H 1.750 . 1 382 . 34 LEU CG C 26.600 . 1 383 . 34 LEU HG H 2.030 . 1 384 . 34 LEU CD1 C 27.000 . 1 385 . 34 LEU HD1 H 0.910 . 1 386 . 34 LEU CD2 C 24.400 . 1 387 . 34 LEU HD2 H 1.170 . 1 388 . 34 LEU C C 179.300 . 1 389 . 35 SER N N 120.000 . 1 390 . 35 SER H H 10.130 . 1 391 . 35 SER CA C 57.100 . 1 392 . 35 SER HA H 4.350 . 1 393 . 35 SER CB C 65.200 . 1 394 . 35 SER HB3 H 4.110 . 1 395 . 35 SER HB2 H 4.490 . 1 396 . 35 SER C C 170.300 . 1 397 . 36 ALA N N 124.500 . 1 398 . 36 ALA H H 9.060 . 1 399 . 36 ALA CA C 55.800 . 1 400 . 36 ALA HA H 4.100 . 1 401 . 36 ALA CB C 17.900 . 1 402 . 36 ALA HB H 1.490 . 1 403 . 36 ALA C C 185.100 . 1 404 . 37 GLU N N 117.700 . 1 405 . 37 GLU H H 8.840 . 1 406 . 37 GLU CA C 60.200 . 1 407 . 37 GLU HA H 4.110 . 1 408 . 37 GLU CB C 29.400 . 1 409 . 37 GLU HB3 H 2.110 . 2 410 . 37 GLU HB2 H 1.970 . 2 411 . 37 GLU CG C 36.900 . 1 412 . 37 GLU HG3 H 2.320 . 2 413 . 37 GLU HG2 H 2.430 . 2 414 . 37 GLU C C 182.100 . 1 415 . 38 ASP N N 122.100 . 1 416 . 38 ASP H H 8.200 . 1 417 . 38 ASP CA C 57.000 . 1 418 . 38 ASP HA H 4.620 . 1 419 . 38 ASP CB C 40.700 . 1 420 . 38 ASP HB3 H 3.090 . 2 421 . 38 ASP HB2 H 2.440 . 2 422 . 38 ASP C C 178.100 . 1 423 . 39 PHE N N 121.900 . 1 424 . 39 PHE H H 9.320 . 1 425 . 39 PHE CA C 62.800 . 1 426 . 39 PHE HA H 3.740 . 1 427 . 39 PHE CB C 39.300 . 1 428 . 39 PHE HB3 H 3.410 . 2 429 . 39 PHE HB2 H 3.120 . 2 430 . 39 PHE HD1 H 7.380 . 1 431 . 39 PHE HE1 H 6.530 . 1 432 . 39 PHE HZ H 5.910 . 1 433 . 39 PHE HE2 H 6.530 . 1 434 . 39 PHE HD2 H 7.380 . 1 435 . 39 PHE C C 179.000 . 1 436 . 40 SER N N 112.200 . 1 437 . 40 SER H H 8.060 . 1 438 . 40 SER CA C 62.200 . 1 439 . 40 SER HA H 4.410 . 1 440 . 40 SER CB C 63.200 . 1 441 . 40 SER HB3 H 3.980 . 2 442 . 40 SER HB2 H 4.000 . 2 443 . 40 SER C C 177.700 . 1 444 . 41 ARG N N 122.000 . 1 445 . 41 ARG H H 7.830 . 1 446 . 41 ARG CA C 59.300 . 1 447 . 41 ARG HA H 4.040 . 1 448 . 41 ARG CB C 30.600 . 1 449 . 41 ARG HB3 H 1.970 . 2 450 . 41 ARG CG C 27.900 . 1 451 . 41 ARG HG3 H 1.460 . 2 452 . 41 ARG HG2 H 1.670 . 2 453 . 41 ARG CD C 43.900 . 1 454 . 41 ARG HD3 H 3.150 . 2 455 . 41 ARG HD2 H 3.280 . 2 456 . 41 ARG NE N 83.100 . 1 457 . 41 ARG HE H 7.190 . 1 458 . 41 ARG C C 178.200 . 1 459 . 42 VAL N N 117.400 . 1 460 . 42 VAL H H 8.020 . 1 461 . 42 VAL CA C 65.000 . 1 462 . 42 VAL HA H 3.320 . 1 463 . 42 VAL CB C 32.400 . 1 464 . 42 VAL HB H 1.110 . 1 465 . 42 VAL CG2 C 20.400 . 1 466 . 42 VAL HG2 H -0.130 . 1 467 . 42 VAL CG1 C 20.400 . 1 468 . 42 VAL HG1 H -0.480 . 1 469 . 42 VAL C C 177.300 . 1 470 . 43 PHE N N 114.600 . 1 471 . 43 PHE H H 8.260 . 1 472 . 43 PHE CA C 59.000 . 1 473 . 43 PHE HA H 4.520 . 1 474 . 43 PHE CB C 39.700 . 1 475 . 43 PHE HB3 H 2.420 . 2 476 . 43 PHE HB2 H 2.990 . 2 477 . 43 PHE HD1 H 6.260 . 1 478 . 43 PHE HE1 H 6.440 . 1 479 . 43 PHE HZ H 6.600 . 1 480 . 43 PHE HE2 H 6.440 . 1 481 . 43 PHE HD2 H 6.260 . 1 482 . 43 PHE C C 172.700 . 1 483 . 44 ALA N N 120.000 . 1 484 . 44 ALA H H 8.040 . 1 485 . 44 ALA CA C 53.100 . 1 486 . 44 ALA HA H 4.350 . 1 487 . 44 ALA CB C 16.600 . 1 488 . 44 ALA HB H 1.480 . 1 489 . 44 ALA C C 173.600 . 1 490 . 45 MET N N 111.300 . 1 491 . 45 MET H H 7.600 . 1 492 . 45 MET CA C 54.300 . 1 493 . 45 MET HA H 4.750 . 1 494 . 45 MET CB C 34.900 . 1 495 . 45 MET HB3 H 2.520 . 2 496 . 45 MET HB2 H 2.140 . 2 497 . 45 MET CG C 29.400 . 1 498 . 45 MET HG3 H 2.700 . 2 499 . 45 MET HG2 H 2.460 . 2 500 . 45 MET CE C 16.600 . 1 501 . 45 MET HE H 2.210 . 1 502 . 45 MET C C 168.200 . 1 503 . 46 SER N N 114.200 . 1 504 . 46 SER H H 8.720 . 1 505 . 46 SER CA C 56.100 . 1 506 . 46 SER HA H 4.930 . 1 507 . 46 SER CB C 63.800 . 1 508 . 46 SER HB3 H 4.010 . 1 509 . 46 SER HB2 H 4.410 . 1 510 . 46 SER C C 170.700 . 1 511 . 47 PRO CA C 65.600 . 1 512 . 47 PRO HA H 3.540 . 1 513 . 47 PRO CB C 31.000 . 1 514 . 47 PRO HB3 H 1.510 . 2 515 . 47 PRO CG C 26.900 . 1 516 . 47 PRO HG3 H 0.590 . 2 517 . 47 PRO HG2 H 1.760 . 2 518 . 47 PRO CD C 50.250 . 1 519 . 47 PRO HD3 H 3.530 . 2 520 . 47 PRO HD2 H 3.740 . 2 521 . 47 PRO C C 182.300 . 1 522 . 48 GLU N N 118.700 . 1 523 . 48 GLU H H 8.440 . 1 524 . 48 GLU CA C 59.700 . 1 525 . 48 GLU HA H 3.950 . 1 526 . 48 GLU CB C 28.900 . 1 527 . 48 GLU HB3 H 1.880 . 1 528 . 48 GLU HB2 H 2.050 . 1 529 . 48 GLU CG C 34.000 . 1 530 . 48 GLU HG3 H 2.290 . 2 531 . 48 GLU HG2 H 2.190 . 2 532 . 48 GLU C C 181.300 . 1 533 . 49 GLU N N 120.200 . 1 534 . 49 GLU H H 7.700 . 1 535 . 49 GLU CA C 59.100 . 1 536 . 49 GLU HA H 3.870 . 1 537 . 49 GLU CB C 29.900 . 1 538 . 49 GLU HB3 H 2.240 . 1 539 . 49 GLU HB2 H 2.100 . 1 540 . 49 GLU CG C 36.900 . 1 541 . 49 GLU HG3 H 2.380 . 2 542 . 49 GLU C C 182.000 . 1 543 . 50 PHE N N 122.200 . 1 544 . 50 PHE H H 8.440 . 1 545 . 50 PHE CA C 61.100 . 1 546 . 50 PHE HA H 4.190 . 1 547 . 50 PHE CB C 40.300 . 1 548 . 50 PHE HB3 H 3.130 . 2 549 . 50 PHE HB2 H 3.020 . 2 550 . 50 PHE HD1 H 7.090 . 1 551 . 50 PHE HE1 H 6.960 . 1 552 . 50 PHE HZ H 6.760 . 1 553 . 50 PHE HE2 H 6.960 . 1 554 . 50 PHE HD2 H 7.090 . 1 555 . 50 PHE C C 176.900 . 1 556 . 51 GLY N N 101.500 . 1 557 . 51 GLY H H 8.040 . 1 558 . 51 GLY CA C 46.200 . 1 559 . 51 GLY HA3 H 3.800 . 2 560 . 51 GLY C C 171.400 . 1 561 . 52 LYS N N 116.800 . 1 562 . 52 LYS H H 7.030 . 1 563 . 52 LYS CA C 56.400 . 1 564 . 52 LYS HA H 4.190 . 1 565 . 52 LYS CB C 33.300 . 1 566 . 52 LYS HB3 H 1.750 . 2 567 . 52 LYS HB2 H 1.960 . 2 568 . 52 LYS CG C 25.200 . 1 569 . 52 LYS HG3 H 1.430 . 2 570 . 52 LYS HG2 H 1.640 . 2 571 . 52 LYS CD C 29.400 . 1 572 . 52 LYS HD3 H 1.640 . 2 573 . 52 LYS CE C 42.200 . 1 574 . 52 LYS HE3 H 2.890 . 2 575 . 52 LYS C C 177.700 . 1 576 . 53 LEU N N 120.100 . 1 577 . 53 LEU H H 7.260 . 1 578 . 53 LEU CA C 54.200 . 1 579 . 53 LEU HA H 4.090 . 1 580 . 53 LEU CB C 42.600 . 1 581 . 53 LEU HB3 H 1.640 . 1 582 . 53 LEU HB2 H 0.900 . 1 583 . 53 LEU CG C 25.700 . 1 584 . 53 LEU HG H 1.810 . 1 585 . 53 LEU CD1 C 26.400 . 1 586 . 53 LEU HD1 H 0.560 . 1 587 . 53 LEU CD2 C 21.900 . 1 588 . 53 LEU HD2 H 0.700 . 1 589 . 53 LEU C C 176.400 . 1 590 . 54 ALA N N 123.800 . 1 591 . 54 ALA H H 8.290 . 1 592 . 54 ALA CA C 51.600 . 1 593 . 54 ALA HA H 4.130 . 1 594 . 54 ALA CB C 19.200 . 1 595 . 54 ALA HB H 1.190 . 1 596 . 54 ALA C C 179.600 . 1 597 . 55 LEU N N 124.600 . 1 598 . 55 LEU H H 8.850 . 1 599 . 55 LEU CA C 58.800 . 1 600 . 55 LEU HA H 3.730 . 1 601 . 55 LEU CB C 41.300 . 1 602 . 55 LEU HB3 H 1.920 . 2 603 . 55 LEU HB2 H 1.600 . 2 604 . 55 LEU CG C 27.000 . 1 605 . 55 LEU HG H 1.600 . 1 606 . 55 LEU CD1 C 23.200 . 1 607 . 55 LEU HD1 H 0.970 . 1 608 . 55 LEU CD2 C 25.600 . 1 609 . 55 LEU HD2 H 1.000 . 1 610 . 55 LEU C C 178.900 . 1 611 . 56 TRP N N 114.100 . 1 612 . 56 TRP H H 8.180 . 1 613 . 56 TRP CA C 59.300 . 1 614 . 56 TRP HA H 4.380 . 1 615 . 56 TRP CB C 26.900 . 1 616 . 56 TRP HB3 H 3.260 . 2 617 . 56 TRP HB2 H 3.520 . 2 618 . 56 TRP HD1 H 7.530 . 1 619 . 56 TRP NE1 N 130.000 . 1 620 . 56 TRP HE1 H 10.410 . 1 621 . 56 TRP HZ2 H 7.520 . 3 622 . 56 TRP HH2 H 7.270 . 1 623 . 56 TRP HZ3 H 7.210 . 3 624 . 56 TRP HE3 H 7.380 . 3 625 . 56 TRP C C 179.000 . 1 626 . 57 LYS N N 125.000 . 1 627 . 57 LYS H H 6.010 . 1 628 . 57 LYS CA C 57.300 . 1 629 . 57 LYS HA H 3.600 . 1 630 . 57 LYS CB C 30.900 . 1 631 . 57 LYS HB3 H 1.390 . 2 632 . 57 LYS HB2 H 0.250 . 2 633 . 57 LYS CG C 24.400 . 1 634 . 57 LYS HG3 H 0.750 . 2 635 . 57 LYS HG2 H 1.020 . 2 636 . 57 LYS CD C 28.400 . 1 637 . 57 LYS HD3 H 1.550 . 2 638 . 57 LYS HD2 H 1.390 . 2 639 . 57 LYS CE C 42.300 . 1 640 . 57 LYS HE3 H 2.700 . 2 641 . 57 LYS HE2 H 2.820 . 2 642 . 57 LYS C C 178.900 . 1 643 . 58 ARG N N 120.000 . 1 644 . 58 ARG H H 7.870 . 1 645 . 58 ARG CA C 60.500 . 1 646 . 58 ARG HA H 3.390 . 1 647 . 58 ARG CB C 30.400 . 1 648 . 58 ARG HB3 H 1.750 . 1 649 . 58 ARG HB2 H 1.460 . 1 650 . 58 ARG CG C 28.700 . 1 651 . 58 ARG HG3 H 0.950 . 2 652 . 58 ARG HG2 H -0.110 . 2 653 . 58 ARG CD C 44.900 . 1 654 . 58 ARG HD3 H 3.000 . 2 655 . 58 ARG HD2 H 2.640 . 2 656 . 58 ARG NE N 84.100 . 1 657 . 58 ARG HE H 6.590 . 1 658 . 58 ARG C C 181.300 . 1 659 . 59 ASN N N 116.600 . 1 660 . 59 ASN H H 8.530 . 1 661 . 59 ASN CA C 55.800 . 1 662 . 59 ASN HA H 4.560 . 1 663 . 59 ASN CB C 37.300 . 1 664 . 59 ASN HB3 H 2.490 . 1 665 . 59 ASN HB2 H 2.890 . 1 666 . 59 ASN CG C 170.700 . 1 667 . 59 ASN ND2 N 109.300 . 1 668 . 59 ASN HD21 H 7.730 . 2 669 . 59 ASN HD22 H 6.960 . 2 670 . 59 ASN C C 178.300 . 1 671 . 60 GLU N N 122.800 . 1 672 . 60 GLU H H 7.940 . 1 673 . 60 GLU CA C 60.100 . 1 674 . 60 GLU HA H 4.050 . 1 675 . 60 GLU CB C 29.900 . 1 676 . 60 GLU HB3 H 2.320 . 2 677 . 60 GLU CG C 36.400 . 1 678 . 60 GLU HG3 H 2.540 . 2 679 . 60 GLU C C 182.700 . 1 680 . 61 LEU N N 119.900 . 1 681 . 61 LEU H H 8.400 . 1 682 . 61 LEU CA C 58.100 . 1 683 . 61 LEU HA H 4.230 . 1 684 . 61 LEU CB C 42.000 . 1 685 . 61 LEU HB3 H 2.300 . 1 686 . 61 LEU HB2 H 1.760 . 1 687 . 61 LEU CG C 27.100 . 1 688 . 61 LEU HG H 2.000 . 1 689 . 61 LEU CD1 C 26.400 . 1 690 . 61 LEU HD1 H 0.980 . 1 691 . 61 LEU CD2 C 22.400 . 1 692 . 61 LEU HD2 H 1.050 . 1 693 . 61 LEU C C 185.500 . 1 694 . 62 LYS N N 119.800 . 1 695 . 62 LYS H H 8.970 . 1 696 . 62 LYS CA C 61.300 . 1 697 . 62 LYS HA H 4.050 . 1 698 . 62 LYS CB C 31.900 . 1 699 . 62 LYS HB3 H 1.840 . 1 700 . 62 LYS HB2 H 2.140 . 1 701 . 62 LYS HG3 H 0.980 . 2 702 . 62 LYS CD C 28.400 . 1 703 . 62 LYS HD3 H 1.810 . 2 704 . 62 LYS HD2 H 2.000 . 2 705 . 62 LYS CE C 43.100 . 1 706 . 62 LYS HE3 H 2.930 . 2 707 . 62 LYS HE2 H 3.130 . 2 708 . 62 LYS C C 180.300 . 1 709 . 63 LYS N N 122.200 . 1 710 . 63 LYS H H 8.820 . 1 711 . 63 LYS CA C 60.400 . 1 712 . 63 LYS HA H 4.250 . 1 713 . 63 LYS CB C 32.400 . 1 714 . 63 LYS HB3 H 2.020 . 2 715 . 63 LYS HB2 H 1.940 . 2 716 . 63 LYS CG C 26.400 . 1 717 . 63 LYS HG2 H 1.310 . 2 718 . 63 LYS CD C 29.700 . 1 719 . 63 LYS HD3 H 1.540 . 2 720 . 63 LYS CE C 41.800 . 1 721 . 63 LYS HE3 H 2.400 . 2 722 . 63 LYS HE2 H 2.500 . 2 723 . 63 LYS C C 185.000 . 1 724 . 64 LYS N N 121.400 . 1 725 . 64 LYS H H 7.940 . 1 726 . 64 LYS CA C 59.300 . 1 727 . 64 LYS HA H 4.150 . 1 728 . 64 LYS CB C 32.100 . 1 729 . 64 LYS HB3 H 2.040 . 2 730 . 64 LYS CG C 25.200 . 1 731 . 64 LYS HG3 H 1.550 . 2 732 . 64 LYS HG2 H 1.680 . 2 733 . 64 LYS CD C 29.400 . 1 734 . 64 LYS HD3 H 1.750 . 2 735 . 64 LYS CE C 42.200 . 1 736 . 64 LYS HE3 H 3.040 . 2 737 . 64 LYS C C 177.300 . 1 738 . 65 ALA N N 118.600 . 1 739 . 65 ALA H H 7.460 . 1 740 . 65 ALA CA C 51.300 . 1 741 . 65 ALA HA H 4.460 . 1 742 . 65 ALA CB C 20.000 . 1 743 . 65 ALA HB H 1.180 . 1 744 . 65 ALA C C 176.600 . 1 745 . 66 SER N N 113.000 . 1 746 . 66 SER H H 8.110 . 1 747 . 66 SER CA C 60.000 . 1 748 . 66 SER HA H 4.390 . 1 749 . 66 SER CB C 63.200 . 1 750 . 66 SER HB3 H 3.970 . 2 751 . 66 SER HB2 H 3.940 . 2 752 . 66 SER C C 168.400 . 1 753 . 67 LEU N N 116.000 . 1 754 . 67 LEU H H 8.570 . 1 755 . 67 LEU CA C 52.600 . 1 756 . 67 LEU HA H 4.810 . 1 757 . 67 LEU CB C 43.800 . 1 758 . 67 LEU HB3 H 1.440 . 1 759 . 67 LEU HB2 H 2.100 . 1 760 . 67 LEU CG C 25.900 . 1 761 . 67 LEU HG H 1.900 . 1 762 . 67 LEU CD1 C 27.800 . 1 763 . 67 LEU HD1 H 0.980 . 1 764 . 67 LEU CD2 C 23.400 . 1 765 . 67 LEU HD2 H 0.900 . 1 766 . 67 LEU C C 170.200 . 1 767 . 68 PHE N N 125.500 . 1 768 . 68 PHE H H 7.680 . 1 769 . 68 PHE CA C 60.300 . 1 770 . 68 PHE HA H 4.470 . 1 771 . 68 PHE CB C 43.100 . 1 772 . 68 PHE HB3 H 2.900 . 2 773 . 68 PHE HB2 H 2.750 . 2 774 . 68 PHE HD1 H 7.280 . 3 775 . 68 PHE HE1 H 7.420 . 3 776 . 68 PHE HZ H 7.410 . 1 777 . 68 PHE C C 181.800 . 1 stop_ save_