data_5774 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Recognition of GU-rich polyadenylation regulatory elements by human CstF-64 protein ; _BMRB_accession_number 5774 _BMRB_flat_file_name bmr5774.str _Entry_type original _Submission_date 2003-04-15 _Accession_date 2003-04-15 _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 Perez-Canadillas Jose M . 2 Varani Gabriele . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 505 "13C chemical shifts" 385 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-08-01 original author . stop_ _Original_release_date 2003-08-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Recognition of GU-rich Polyadenylation Regulatory Elements by Human CstF-64 Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22658057 _PubMed_ID 12773396 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Perez-Canadillas Jose M . 2 Varani Gabriele . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 22 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2821 _Page_last 2830 _Year 2003 _Details . loop_ _Keyword 'mRNA processing' 'Nuclear Magnetic Resonance' polyadenylation 'RNA-binding protein' stop_ save_ ################################## # Molecular system description # ################################## save_system_CstF64 _Saveframe_category molecular_system _Mol_system_name 'Cleavage stimulation Factor 64, RRM domain' _Abbreviation_common CstF64 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CstF64 RRM domain' $CstF64 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function 'mRNA cleavage and polyadenylation factor' 'RNA recognition' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CstF64 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Cleavage stimulation Factor 64, RRM domain' _Abbreviation_common CstF64 _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; MAGLTVRDPAVDRSLRSVFV GNIPYEATEEQLKDIFSEVG PVVSFRLVYDRETGKPKGYG FCEYQDQETALSAMRNLNGR EFSGRALRVDNAASEKNKEE LKSLGTGAPVI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLY 4 LEU 5 THR 6 VAL 7 ARG 8 ASP 9 PRO 10 ALA 11 VAL 12 ASP 13 ARG 14 SER 15 LEU 16 ARG 17 SER 18 VAL 19 PHE 20 VAL 21 GLY 22 ASN 23 ILE 24 PRO 25 TYR 26 GLU 27 ALA 28 THR 29 GLU 30 GLU 31 GLN 32 LEU 33 LYS 34 ASP 35 ILE 36 PHE 37 SER 38 GLU 39 VAL 40 GLY 41 PRO 42 VAL 43 VAL 44 SER 45 PHE 46 ARG 47 LEU 48 VAL 49 TYR 50 ASP 51 ARG 52 GLU 53 THR 54 GLY 55 LYS 56 PRO 57 LYS 58 GLY 59 TYR 60 GLY 61 PHE 62 CYS 63 GLU 64 TYR 65 GLN 66 ASP 67 GLN 68 GLU 69 THR 70 ALA 71 LEU 72 SER 73 ALA 74 MET 75 ARG 76 ASN 77 LEU 78 ASN 79 GLY 80 ARG 81 GLU 82 PHE 83 SER 84 GLY 85 ARG 86 ALA 87 LEU 88 ARG 89 VAL 90 ASP 91 ASN 92 ALA 93 ALA 94 SER 95 GLU 96 LYS 97 ASN 98 LYS 99 GLU 100 GLU 101 LEU 102 LYS 103 SER 104 LEU 105 GLY 106 THR 107 GLY 108 ALA 109 PRO 110 VAL 111 ILE 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 PDB 1P1T "Nmr Structure Of The N-Terminal Rrm Domain Of Cleavage Stimulation Factor 64 Kda Subunit" 92.79 104 100.00 100.00 1.03e-67 DBJ BAC28037 "unnamed protein product [Mus musculus]" 100.00 580 99.10 99.10 2.69e-70 DBJ BAC40243 "unnamed protein product [Mus musculus]" 100.00 580 99.10 99.10 2.67e-70 DBJ BAG62297 "unnamed protein product [Homo sapiens]" 100.00 553 100.00 100.00 6.44e-71 DBJ BAI46582 "Cleavage stimulation factor 64 kDa subunit [synthetic construct]" 100.00 577 100.00 100.00 7.54e-71 EMBL CAG09844 "unnamed protein product [Tetraodon nigroviridis]" 94.59 570 97.14 99.05 7.54e-64 EMBL CAG31323 "hypothetical protein RCJMB04_5b8 [Gallus gallus]" 100.00 475 98.20 100.00 5.87e-71 EMBL CAH90254 "hypothetical protein [Pongo abelii]" 100.00 577 100.00 100.00 9.61e-71 EMBL CDQ70066 "unnamed protein product [Oncorhynchus mykiss]" 87.39 137 98.97 98.97 1.12e-62 EMBL CDQ72626 "unnamed protein product [Oncorhynchus mykiss]" 94.59 391 98.10 99.05 8.01e-66 GB AAA35724 "cleavage stimulation factor [Homo sapiens]" 100.00 577 100.00 100.00 7.54e-71 GB AAB50269 "polyadenylation factor 64 kDa subunit [Xenopus laevis]" 100.00 497 98.20 100.00 8.67e-66 GB AAG31814 "polyadenylation protein CSTF64 [Mus musculus]" 100.00 580 99.10 99.10 2.67e-70 GB AAH17712 "Cleavage stimulation factor, 3' pre-RNA, subunit 2, 64kDa [Homo sapiens]" 100.00 577 100.00 100.00 7.54e-71 GB AAH33135 "Similar to cleavage stimulation factor, 3' pre-RNA, subunit 2, 64kD, partial [Homo sapiens]" 99.10 559 100.00 100.00 5.17e-70 REF NP_001006433 "cleavage stimulation factor subunit 2 [Gallus gallus]" 100.00 475 98.20 100.00 5.87e-71 REF NP_001080179 "cleavage stimulation factor, 3' pre-RNA, subunit 2, 64kDa [Xenopus laevis]" 100.00 518 98.20 100.00 4.38e-71 REF NP_001123707 "cleavage stimulation factor, 3' pre-RNA, subunit 2, 64kDa [Xenopus (Silurana) tropicalis]" 100.00 498 98.20 99.10 8.23e-71 REF NP_001124486 "cleavage stimulation factor subunit 2 [Rattus norvegicus]" 100.00 575 99.10 99.10 2.50e-70 REF NP_001125111 "cleavage stimulation factor subunit 2 [Pongo abelii]" 100.00 577 100.00 100.00 9.61e-71 SP P33240 "RecName: Full=Cleavage stimulation factor subunit 2; AltName: Full=CF-1 64 kDa subunit; AltName: Full=Cleavage stimulation fact" 100.00 577 100.00 100.00 7.54e-71 SP Q5RDA3 "RecName: Full=Cleavage stimulation factor subunit 2; AltName: Full=CF-1 64 kDa subunit; AltName: Full=Cleavage stimulation fact" 100.00 577 100.00 100.00 9.61e-71 SP Q8BIQ5 "RecName: Full=Cleavage stimulation factor subunit 2; AltName: Full=CF-1 64 kDa subunit; AltName: Full=Cleavage stimulation fact" 100.00 580 99.10 99.10 2.67e-70 SP Q8HXM1 "RecName: Full=Cleavage stimulation factor subunit 2; AltName: Full=CF-1 64 kDa subunit; AltName: Full=Cleavage stimulation fact" 100.00 572 100.00 100.00 8.00e-71 TPG DAA13112 "TPA: cleavage stimulation factor 64 kDa subunit [Bos taurus]" 100.00 572 100.00 100.00 8.00e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CstF64 Human 9660 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 $CstF64 '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CstF64 1.0 mM 0.9 1.1 '[U-99% 13C; U-99% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_1H-15N_HSQC-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC-NOESY' _Sample_label . save_ save_1H-13C_HSQC-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC-NOESY' _Sample_label . save_ save_15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _Sample_label . save_ save_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_CBCA(CO)HN_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)HN _Sample_label . save_ save_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)HN _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 0.01 M pH 6.0 0.1 n/a temperature 300 0.1 K 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 _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_shifts_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_set_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'CstF64 RRM domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 8 ASP N N 123.9 . 1 2 . 8 ASP H H 8.38 . 1 3 . 8 ASP CA C 51.9 . 1 4 . 8 ASP HA H 4.89 . 1 5 . 8 ASP CB C 41.6 . 1 6 . 8 ASP HB2 H 2.80 . 2 7 . 8 ASP HB3 H 2.58 . 2 8 . 9 PRO CD C 51.0 . 1 9 . 9 PRO CA C 63.9 . 1 10 . 9 PRO HA H 4.40 . 1 11 . 9 PRO CB C 32.2 . 1 12 . 9 PRO HB2 H 2.34 . 2 13 . 9 PRO HB3 H 1.98 . 2 14 . 9 PRO CG C 27.1 . 1 15 . 9 PRO HG2 H 2.05 . 2 16 . 9 PRO HD2 H 3.92 . 2 17 . 9 PRO HD3 H 3.87 . 2 18 . 10 ALA N N 122.6 . 1 19 . 10 ALA H H 8.40 . 1 20 . 10 ALA CA C 53.4 . 1 21 . 10 ALA HA H 4.21 . 1 22 . 10 ALA HB H 1.41 . 1 23 . 10 ALA CB C 18.6 . 1 24 . 10 ALA C C 179.2 . 1 25 . 11 VAL N N 119.5 . 1 26 . 11 VAL H H 7.74 . 1 27 . 11 VAL CA C 63.5 . 1 28 . 11 VAL HA H 3.90 . 1 29 . 11 VAL CB C 32.4 . 1 30 . 11 VAL HB H 2.12 . 1 31 . 11 VAL HG1 H 1.00 . 2 32 . 11 VAL HG2 H 0.95 . 2 33 . 11 VAL CG1 C 21.4 . 1 34 . 11 VAL CG2 C 20.9 . 1 35 . 11 VAL C C 176.9 . 1 36 . 12 ASP N N 123.4 . 1 37 . 12 ASP H H 8.23 . 1 38 . 12 ASP CA C 55.8 . 1 39 . 12 ASP HA H 4.43 . 1 40 . 12 ASP CB C 41.9 . 1 41 . 12 ASP HB2 H 2.70 . 2 42 . 12 ASP HB3 H 2.65 . 2 43 . 12 ASP C C 176.6 . 1 44 . 13 ARG N N 121.9 . 1 45 . 13 ARG H H 8.27 . 1 46 . 13 ARG CA C 59.3 . 1 47 . 13 ARG HA H 3.82 . 1 48 . 13 ARG CB C 30.2 . 1 49 . 13 ARG HB2 H 1.76 . 2 50 . 13 ARG C C 179.0 . 1 51 . 14 SER N N 117.8 . 1 52 . 14 SER H H 8.47 . 1 53 . 14 SER CA C 61.9 . 1 54 . 14 SER HA H 3.94 . 1 55 . 14 SER C C 179.9 . 1 56 . 15 LEU N N 120.2 . 1 57 . 15 LEU H H 7.52 . 1 58 . 15 LEU CA C 56.4 . 1 59 . 15 LEU HA H 4.37 . 1 60 . 15 LEU CB C 42.1 . 1 61 . 15 LEU HB2 H 1.86 . 2 62 . 15 LEU HB3 H 1.54 . 2 63 . 15 LEU CG C 26.9 . 1 64 . 15 LEU HG H 1.75 . 1 65 . 15 LEU HD1 H 0.95 . 2 66 . 15 LEU HD2 H 0.89 . 2 67 . 15 LEU CD1 C 25.4 . 1 68 . 15 LEU CD2 C 22.6 . 1 69 . 15 LEU C C 177.3 . 1 70 . 16 ARG N N 114.2 . 1 71 . 16 ARG H H 7.22 . 1 72 . 16 ARG CA C 54.9 . 1 73 . 16 ARG HA H 4.43 . 1 74 . 16 ARG CB C 30.1 . 1 75 . 16 ARG HB3 H 1.84 . 2 76 . 16 ARG CG C 28.8 . 1 77 . 16 ARG HG2 H 1.73 . 2 78 . 16 ARG HG3 H 1.59 . 2 79 . 16 ARG CD C 43.6 . 1 80 . 16 ARG HD2 H 3.12 . 2 81 . 16 ARG HD3 H 3.04 . 2 82 . 16 ARG NE N 86.3 . 1 83 . 16 ARG HE H 7.42 . 1 84 . 16 ARG C C 173.7 . 1 85 . 17 SER N N 113.9 . 1 86 . 17 SER H H 7.21 . 1 87 . 17 SER CA C 57.1 . 1 88 . 17 SER HA H 6.09 . 1 89 . 17 SER CB C 66.3 . 1 90 . 17 SER HB2 H 3.58 . 2 91 . 17 SER C C 172.4 . 1 92 . 18 VAL N N 112.0 . 1 93 . 18 VAL H H 9.10 . 1 94 . 18 VAL CA C 59.0 . 1 95 . 18 VAL HA H 5.10 . 1 96 . 18 VAL CB C 33.8 . 1 97 . 18 VAL HB H 2.54 . 1 98 . 18 VAL HG1 H 1.10 . 2 99 . 18 VAL HG2 H 1.00 . 2 100 . 18 VAL CG1 C 24.6 . 1 101 . 18 VAL CG2 C 20.0 . 1 102 . 18 VAL C C 175.4 . 1 103 . 19 PHE N N 125.2 . 1 104 . 19 PHE H H 8.80 . 1 105 . 19 PHE CA C 57.0 . 1 106 . 19 PHE HA H 4.29 . 1 107 . 19 PHE CB C 41.3 . 1 108 . 19 PHE HB2 H 2.79 . 2 109 . 19 PHE HB3 H 2.55 . 2 110 . 19 PHE C C 173.4 . 1 111 . 20 VAL N N 128.5 . 1 112 . 20 VAL H H 7.89 . 1 113 . 20 VAL CA C 60.0 . 1 114 . 20 VAL HA H 4.91 . 1 115 . 20 VAL CB C 33.7 . 1 116 . 20 VAL HB H 1.36 . 1 117 . 20 VAL HG1 H 0.83 . 2 118 . 20 VAL HG2 H 0.40 . 2 119 . 20 VAL CG1 C 22.1 . 1 120 . 20 VAL CG2 C 21.9 . 1 121 . 20 VAL C C 173.7 . 1 122 . 21 GLY N N 112.4 . 1 123 . 21 GLY H H 9.47 . 1 124 . 21 GLY CA C 43.0 . 1 125 . 21 GLY HA2 H 4.82 . 2 126 . 21 GLY HA3 H 3.63 . 2 127 . 21 GLY C C 173.5 . 1 128 . 22 ASN N N 116.7 . 1 129 . 22 ASN H H 8.59 . 1 130 . 22 ASN CA C 53.3 . 1 131 . 22 ASN HA H 4.41 . 1 132 . 22 ASN CB C 38.3 . 1 133 . 22 ASN HB2 H 3.73 . 2 134 . 22 ASN HB3 H 2.60 . 2 135 . 22 ASN CG C 179.2 . 1 136 . 22 ASN ND2 N 112.4 . 1 137 . 22 ASN HD21 H 8.08 . 2 138 . 22 ASN HD22 H 6.89 . 2 139 . 22 ASN C C 173.8 . 1 140 . 23 ILE N N 115.9 . 1 141 . 23 ILE H H 7.70 . 1 142 . 23 ILE CA C 59.5 . 1 143 . 23 ILE HA H 3.78 . 1 144 . 23 ILE CB C 39.8 . 1 145 . 23 ILE HB H 1.17 . 1 146 . 23 ILE HG2 H 0.81 . 1 147 . 23 ILE CG2 C 18.5 . 1 148 . 23 ILE CG1 C 28.5 . 1 149 . 23 ILE HG12 H 0.45 . 2 150 . 23 ILE HG13 H 1.36 . 2 151 . 23 ILE HD1 H 0.40 . 1 152 . 23 ILE CD1 C 14.1 . 1 153 . 24 PRO CD C 50.6 . 1 154 . 24 PRO CA C 63.1 . 1 155 . 24 PRO HA H 4.28 . 1 156 . 24 PRO CB C 32.2 . 1 157 . 24 PRO HB2 H 2.38 . 2 158 . 24 PRO HB3 H 1.98 . 2 159 . 24 PRO CG C 27.8 . 1 160 . 24 PRO HG2 H 1.98 . 2 161 . 24 PRO HG3 H 1.93 . 2 162 . 24 PRO HD2 H 4.07 . 2 163 . 24 PRO HD3 H 3.46 . 2 164 . 24 PRO C C 177.5 . 1 165 . 25 TYR N N 123.5 . 1 166 . 25 TYR H H 8.38 . 1 167 . 25 TYR CA C 60.1 . 1 168 . 25 TYR HA H 4.29 . 1 169 . 25 TYR CB C 37.9 . 1 170 . 25 TYR HB2 H 3.06 . 2 171 . 25 TYR C C 177.4 . 1 172 . 26 GLU N N 116.9 . 1 173 . 26 GLU H H 9.21 . 1 174 . 26 GLU CA C 57.2 . 1 175 . 26 GLU HA H 4.23 . 1 176 . 26 GLU CB C 28.7 . 1 177 . 26 GLU HB2 H 2.13 . 2 178 . 26 GLU HB3 H 2.05 . 2 179 . 26 GLU CG C 36.1 . 1 180 . 26 GLU HG2 H 2.31 . 2 181 . 26 GLU C C 176.6 . 1 182 . 27 ALA N N 123.3 . 1 183 . 27 ALA H H 7.45 . 1 184 . 27 ALA CA C 52.6 . 1 185 . 27 ALA HA H 4.53 . 1 186 . 27 ALA HB H 1.25 . 1 187 . 27 ALA CB C 20.8 . 1 188 . 27 ALA C C 177.1 . 1 189 . 28 THR N N 110.4 . 1 190 . 28 THR H H 7.96 . 1 191 . 28 THR CA C 58.7 . 1 192 . 28 THR HA H 4.72 . 1 193 . 28 THR CB C 71.7 . 1 194 . 28 THR HB H 4.72 . 1 195 . 28 THR HG2 H 1.28 . 1 196 . 28 THR CG2 C 21.6 . 1 197 . 28 THR C C 175.3 . 1 198 . 29 GLU N N 121.4 . 1 199 . 29 GLU H H 9.21 . 1 200 . 29 GLU CA C 60.5 . 1 201 . 29 GLU HA H 3.52 . 1 202 . 29 GLU CB C 29.5 . 1 203 . 29 GLU HB2 H 2.17 . 2 204 . 29 GLU HB3 H 2.12 . 2 205 . 29 GLU CG C 38.2 . 1 206 . 29 GLU HG2 H 2.55 . 2 207 . 29 GLU HG3 H 2.38 . 2 208 . 29 GLU C C 178.3 . 1 209 . 30 GLU N N 118.2 . 1 210 . 30 GLU H H 8.53 . 1 211 . 30 GLU CA C 60.2 . 1 212 . 30 GLU HA H 3.89 . 1 213 . 30 GLU CB C 29.1 . 1 214 . 30 GLU HB2 H 2.05 . 2 215 . 30 GLU HB3 H 1.98 . 2 216 . 30 GLU CG C 36.6 . 1 217 . 30 GLU HG2 H 2.39 . 2 218 . 30 GLU HG3 H 2.32 . 2 219 . 30 GLU C C 178.8 . 1 220 . 31 GLN N N 118.7 . 1 221 . 31 GLN H H 7.58 . 1 222 . 31 GLN CA C 58.3 . 1 223 . 31 GLN HA H 4.09 . 1 224 . 31 GLN CB C 29.1 . 1 225 . 31 GLN HB2 H 2.06 . 2 226 . 31 GLN HB3 H 2.39 . 2 227 . 31 GLN HG2 H 2.51 . 2 228 . 31 GLN NE2 N 110.5 . 1 229 . 31 GLN HE21 H 7.49 . 2 230 . 31 GLN HE22 H 6.86 . 2 231 . 31 GLN C C 175.6 . 1 232 . 32 LEU N N 120.7 . 1 233 . 32 LEU H H 7.52 . 1 234 . 32 LEU CA C 56.9 . 1 235 . 32 LEU HA H 3.67 . 1 236 . 32 LEU CB C 39.3 . 1 237 . 32 LEU HB2 H 0.69 . 2 238 . 32 LEU HB3 H -0.03 . 2 239 . 32 LEU CG C 27.1 . 1 240 . 32 LEU HG H 1.20 . 1 241 . 32 LEU HD1 H 0.39 . 2 242 . 32 LEU HD2 H 0.29 . 2 243 . 32 LEU CD1 C 26.6 . 1 244 . 32 LEU CD2 C 22.6 . 1 245 . 32 LEU C C 178.6 . 1 246 . 33 LYS N N 121.6 . 1 247 . 33 LYS H H 8.57 . 1 248 . 33 LYS CA C 61.1 . 1 249 . 33 LYS HA H 3.72 . 1 250 . 33 LYS CB C 31.6 . 1 251 . 33 LYS HB2 H 1.98 . 2 252 . 33 LYS HB3 H 1.85 . 2 253 . 33 LYS CG C 25.2 . 1 254 . 33 LYS HG2 H 1.43 . 2 255 . 33 LYS HG3 H 1.37 . 2 256 . 33 LYS CD C 29.4 . 1 257 . 33 LYS HD2 H 1.71 . 2 258 . 33 LYS HD3 H 1.60 . 2 259 . 33 LYS CE C 42.0 . 1 260 . 33 LYS HE2 H 2.92 . 2 261 . 33 LYS C C 178.6 . 1 262 . 34 ASP N N 119.3 . 1 263 . 34 ASP H H 7.52 . 1 264 . 34 ASP CA C 57.7 . 1 265 . 34 ASP HA H 4.41 . 1 266 . 34 ASP CB C 40.3 . 1 267 . 34 ASP HB2 H 2.79 . 2 268 . 34 ASP HB3 H 2.71 . 2 269 . 34 ASP C C 179.0 . 1 270 . 35 ILE N N 120.3 . 1 271 . 35 ILE H H 7.36 . 1 272 . 35 ILE CA C 64.2 . 1 273 . 35 ILE HA H 3.82 . 1 274 . 35 ILE CB C 38.3 . 1 275 . 35 ILE HB H 1.87 . 1 276 . 35 ILE HG2 H 0.51 . 1 277 . 35 ILE CG2 C 16.5 . 1 278 . 35 ILE CG1 C 28.3 . 1 279 . 35 ILE HG12 H 1.58 . 2 280 . 35 ILE HG13 H 1.15 . 2 281 . 35 ILE HD1 H 0.59 . 1 282 . 35 ILE CD1 C 13.0 . 1 283 . 35 ILE C C 177.4 . 1 284 . 36 PHE N N 117.9 . 1 285 . 36 PHE H H 8.60 . 1 286 . 36 PHE CA C 61.8 . 1 287 . 36 PHE HA H 3.94 . 1 288 . 36 PHE CB C 37.8 . 1 289 . 36 PHE HB2 H 2.97 . 2 290 . 36 PHE HB3 H 3.70 . 2 291 . 36 PHE C C 178.2 . 1 292 . 37 SER N N 117.5 . 1 293 . 37 SER H H 8.15 . 1 294 . 37 SER CA C 59.7 . 1 295 . 37 SER HA H 5.55 . 1 296 . 37 SER CB C 63.6 . 1 297 . 37 SER HB2 H 4.20 . 2 298 . 37 SER HB3 H 4.08 . 2 299 . 37 SER C C 175.1 . 1 300 . 38 GLU N N 122.1 . 1 301 . 38 GLU H H 7.73 . 1 302 . 38 GLU CA C 59.4 . 1 303 . 38 GLU HA H 4.01 . 1 304 . 38 GLU CB C 30.5 . 1 305 . 38 GLU HB2 H 1.88 . 2 306 . 38 GLU HB3 H 2.23 . 2 307 . 38 GLU CG C 36.5 . 1 308 . 38 GLU HG2 H 2.56 . 2 309 . 38 GLU HG3 H 2.16 . 2 310 . 38 GLU C C 178.1 . 1 311 . 39 VAL N N 105.0 . 1 312 . 39 VAL H H 6.53 . 1 313 . 39 VAL CA C 61.4 . 1 314 . 39 VAL HA H 4.31 . 1 315 . 39 VAL CB C 31.6 . 1 316 . 39 VAL HB H 2.23 . 1 317 . 39 VAL HG1 H 1.51 . 2 318 . 39 VAL HG2 H 0.78 . 2 319 . 39 VAL CG1 C 21.9 . 1 320 . 39 VAL CG2 C 19.4 . 1 321 . 39 VAL C C 174.9 . 1 322 . 40 GLY N N 111.1 . 1 323 . 40 GLY H H 7.26 . 1 324 . 40 GLY CA C 44.7 . 1 325 . 40 GLY HA2 H 4.01 . 2 326 . 40 GLY HA3 H 4.26 . 2 327 . 41 PRO CD C 49.2 . 1 328 . 41 PRO CA C 62.9 . 1 329 . 41 PRO HA H 4.44 . 1 330 . 41 PRO CG C 28.0 . 1 331 . 41 PRO HG2 H 2.11 . 2 332 . 41 PRO HG3 H 2.02 . 2 333 . 41 PRO HD3 H 3.64 . 2 334 . 41 PRO C C 177.6 . 1 335 . 42 VAL N N 125.1 . 1 336 . 42 VAL H H 8.43 . 1 337 . 42 VAL CA C 62.1 . 1 338 . 42 VAL HA H 3.76 . 1 339 . 42 VAL CB C 33.8 . 1 340 . 42 VAL HB H 1.82 . 1 341 . 42 VAL HG1 H 0.93 . 2 342 . 42 VAL HG2 H 0.74 . 2 343 . 42 VAL CG1 C 23.1 . 1 344 . 42 VAL CG2 C 23.2 . 1 345 . 42 VAL C C 177.0 . 1 346 . 43 VAL N N 130.6 . 1 347 . 43 VAL H H 9.13 . 1 348 . 43 VAL CA C 64.9 . 1 349 . 43 VAL HA H 3.72 . 1 350 . 43 VAL CB C 32.2 . 1 351 . 43 VAL HB H 1.48 . 1 352 . 43 VAL HG1 H 0.83 . 1 353 . 43 VAL HG2 H 0.83 . 1 354 . 43 VAL CG1 C 20.6 . 1 355 . 43 VAL CG2 C 21.8 . 1 356 . 43 VAL C C 176.9 . 1 357 . 44 SER N N 111.4 . 1 358 . 44 SER H H 7.35 . 1 359 . 44 SER CA C 57.8 . 1 360 . 44 SER HA H 4.41 . 1 361 . 44 SER CB C 65.5 . 1 362 . 44 SER HB2 H 3.71 . 2 363 . 44 SER HB3 H 3.79 . 2 364 . 44 SER C C 171.3 . 1 365 . 45 PHE N N 126.6 . 1 366 . 45 PHE H H 8.90 . 1 367 . 45 PHE CA C 57.4 . 1 368 . 45 PHE HA H 4.68 . 1 369 . 45 PHE CB C 42.8 . 1 370 . 45 PHE HB2 H 3.25 . 2 371 . 45 PHE HB3 H 2.28 . 2 372 . 45 PHE C C 173.9 . 1 373 . 46 ARG N N 127.0 . 1 374 . 46 ARG H H 8.15 . 1 375 . 46 ARG CA C 53.3 . 1 376 . 46 ARG HA H 4.99 . 1 377 . 46 ARG CB C 33.0 . 1 378 . 46 ARG HB2 H 1.76 . 2 379 . 46 ARG HB3 H 1.63 . 2 380 . 46 ARG NE N 85.1 . 1 381 . 46 ARG HE H 7.33 . 1 382 . 46 ARG C C 175.3 . 1 383 . 47 LEU N N 125.6 . 1 384 . 47 LEU H H 9.26 . 1 385 . 47 LEU CA C 54.4 . 1 386 . 47 LEU HA H 4.40 . 1 387 . 47 LEU CB C 43.0 . 1 388 . 47 LEU HB2 H 1.75 . 2 389 . 47 LEU HB3 H 0.95 . 2 390 . 47 LEU CG C 26.8 . 1 391 . 47 LEU HG H 1.58 . 1 392 . 47 LEU HD1 H 0.81 . 2 393 . 47 LEU HD2 H 0.68 . 2 394 . 47 LEU CD1 C 25.2 . 1 395 . 47 LEU CD2 C 24.5 . 1 396 . 47 LEU C C 175.7 . 1 397 . 48 VAL N N 119.9 . 1 398 . 48 VAL H H 7.48 . 1 399 . 48 VAL CA C 62.5 . 1 400 . 48 VAL HA H 4.11 . 1 401 . 48 VAL CB C 31.6 . 1 402 . 48 VAL HB H 1.02 . 1 403 . 48 VAL HG1 H 0.84 . 2 404 . 48 VAL HG2 H 0.94 . 2 405 . 48 VAL CG1 C 21.8 . 1 406 . 48 VAL CG2 C 22.2 . 1 407 . 48 VAL C C 174.9 . 1 408 . 49 TYR N N 127.2 . 1 409 . 49 TYR H H 8.72 . 1 410 . 49 TYR CA C 56.7 . 1 411 . 49 TYR HA H 4.70 . 1 412 . 49 TYR CB C 40.9 . 1 413 . 49 TYR HB2 H 2.60 . 2 414 . 49 TYR HB3 H 2.49 . 2 415 . 49 TYR C C 175.5 . 1 416 . 50 ASP N N 123.4 . 1 417 . 50 ASP H H 9.04 . 1 418 . 50 ASP CA C 54.4 . 1 419 . 50 ASP HA H 4.52 . 1 420 . 50 ASP CB C 43.3 . 1 421 . 50 ASP HB2 H 3.12 . 2 422 . 50 ASP HB3 H 2.49 . 2 423 . 50 ASP C C 177.8 . 1 424 . 51 ARG N N 129.0 . 1 425 . 51 ARG H H 9.06 . 1 426 . 51 ARG CA C 58.8 . 1 427 . 51 ARG HA H 4.07 . 1 428 . 51 ARG CB C 30.2 . 1 429 . 51 ARG HB2 H 1.95 . 2 430 . 51 ARG CG C 27.3 . 1 431 . 51 ARG HG2 H 1.75 . 2 432 . 51 ARG CD C 43.2 . 1 433 . 51 ARG HD2 H 3.27 . 2 434 . 51 ARG C C 178.3 . 1 435 . 52 GLU N N 117.8 . 1 436 . 52 GLU H H 8.60 . 1 437 . 52 GLU CA C 58.5 . 1 438 . 52 GLU HA H 4.31 . 1 439 . 52 GLU CB C 30.4 . 1 440 . 52 GLU HB2 H 2.20 . 2 441 . 52 GLU HB3 H 2.16 . 2 442 . 52 GLU HG2 H 2.33 . 2 443 . 52 GLU C C 178.6 . 1 444 . 53 THR N N 107.3 . 1 445 . 53 THR H H 8.28 . 1 446 . 53 THR CA C 61.8 . 1 447 . 53 THR HA H 4.46 . 1 448 . 53 THR CB C 71.3 . 1 449 . 53 THR HB H 4.39 . 1 450 . 53 THR HG2 H 1.26 . 1 451 . 53 THR CG2 C 21.0 . 1 452 . 53 THR C C 176.8 . 1 453 . 54 GLY N N 111.7 . 1 454 . 54 GLY H H 8.31 . 1 455 . 54 GLY CA C 45.7 . 1 456 . 54 GLY HA2 H 4.18 . 2 457 . 54 GLY HA3 H 3.84 . 2 458 . 54 GLY C C 174.0 . 1 459 . 55 LYS N N 120.6 . 1 460 . 55 LYS H H 7.78 . 1 461 . 55 LYS CA C 54.4 . 1 462 . 55 LYS HA H 4.71 . 1 463 . 55 LYS CB C 32.1 . 1 464 . 55 LYS HB2 H 1.90 . 2 465 . 55 LYS HB3 H 1.68 . 2 466 . 55 LYS CG C 25.0 . 1 467 . 55 LYS HG2 H 1.51 . 2 468 . 55 LYS HG3 H 1.39 . 2 469 . 55 LYS HD2 H 1.84 . 2 470 . 55 LYS HD3 H 1.73 . 2 471 . 56 PRO CD C 50.6 . 1 472 . 56 PRO CA C 63.2 . 1 473 . 56 PRO HA H 4.14 . 1 474 . 56 PRO CB C 32.5 . 1 475 . 56 PRO HB2 H 2.10 . 2 476 . 56 PRO HB3 H 1.88 . 2 477 . 56 PRO CG C 27.5 . 1 478 . 56 PRO HG2 H 2.07 . 2 479 . 56 PRO HD2 H 3.98 . 2 480 . 56 PRO HD3 H 3.68 . 2 481 . 56 PRO C C 177.5 . 1 482 . 57 LYS N N 119.3 . 1 483 . 57 LYS H H 8.29 . 1 484 . 57 LYS CA C 56.5 . 1 485 . 57 LYS HA H 4.33 . 1 486 . 57 LYS CB C 33.3 . 1 487 . 57 LYS HB2 H 1.88 . 2 488 . 57 LYS HB3 H 0.98 . 2 489 . 57 LYS CG C 26.0 . 1 490 . 57 LYS HG2 H 1.33 . 2 491 . 57 LYS CD C 29.2 . 1 492 . 57 LYS HD2 H 1.67 . 2 493 . 57 LYS CE C 41.7 . 1 494 . 57 LYS HE2 H 3.09 . 2 495 . 57 LYS C C 177.6 . 1 496 . 58 GLY N N 108.3 . 1 497 . 58 GLY H H 8.67 . 1 498 . 58 GLY CA C 45.5 . 1 499 . 58 GLY HA2 H 4.41 . 2 500 . 58 GLY HA3 H 3.94 . 2 501 . 58 GLY C C 172.5 . 1 502 . 59 TYR N N 113.9 . 1 503 . 59 TYR H H 6.98 . 1 504 . 59 TYR CA C 54.9 . 1 505 . 59 TYR HA H 5.30 . 1 506 . 59 TYR CB C 41.1 . 1 507 . 59 TYR HB2 H 2.99 . 2 508 . 59 TYR HB3 H 2.73 . 2 509 . 59 TYR C C 173.8 . 1 510 . 60 GLY N N 107.8 . 1 511 . 60 GLY H H 8.81 . 1 512 . 60 GLY CA C 45.4 . 1 513 . 60 GLY HA2 H 4.16 . 2 514 . 60 GLY HA3 H 3.73 . 2 515 . 60 GLY C C 169.0 . 1 516 . 61 PHE N N 114.2 . 1 517 . 61 PHE H H 8.31 . 1 518 . 61 PHE CA C 56.1 . 1 519 . 61 PHE HA H 5.23 . 1 520 . 61 PHE CB C 44.0 . 1 521 . 61 PHE HB2 H 2.69 . 2 522 . 61 PHE HB3 H 2.36 . 2 523 . 61 PHE C C 174.1 . 1 524 . 62 CYS N N 124.4 . 1 525 . 62 CYS H H 8.65 . 1 526 . 62 CYS CA C 56.9 . 1 527 . 62 CYS HA H 4.41 . 1 528 . 62 CYS CB C 28.0 . 1 529 . 62 CYS HB2 H 2.54 . 2 530 . 62 CYS HB3 H 1.49 . 2 531 . 62 CYS C C 171.5 . 1 532 . 63 GLU N N 132.5 . 1 533 . 63 GLU H H 8.95 . 1 534 . 63 GLU CA C 55.3 . 1 535 . 63 GLU HA H 4.77 . 1 536 . 63 GLU CB C 32.3 . 1 537 . 63 GLU HB2 H 1.97 . 2 538 . 63 GLU HB3 H 1.70 . 2 539 . 63 GLU C C 174.5 . 1 540 . 64 TYR N N 126.9 . 1 541 . 64 TYR H H 8.97 . 1 542 . 64 TYR CA C 58.5 . 1 543 . 64 TYR HA H 5.02 . 1 544 . 64 TYR CB C 40.8 . 1 545 . 64 TYR HB2 H 3.62 . 2 546 . 64 TYR HB3 H 3.01 . 2 547 . 64 TYR C C 175.2 . 1 548 . 65 GLN N N 116.3 . 1 549 . 65 GLN H H 10.03 . 1 550 . 65 GLN CA C 57.8 . 1 551 . 65 GLN HA H 4.14 . 1 552 . 65 GLN CB C 29.4 . 1 553 . 65 GLN HB2 H 2.20 . 2 554 . 65 GLN HB3 H 2.14 . 2 555 . 65 GLN CG C 34.5 . 1 556 . 65 GLN HG2 H 2.53 . 2 557 . 65 GLN HG3 H 2.33 . 2 558 . 65 GLN NE2 N 111.0 . 1 559 . 65 GLN HE21 H 7.40 . 2 560 . 65 GLN HE22 H 6.92 . 2 561 . 65 GLN C C 176.3 . 1 562 . 66 ASP N N 111.6 . 1 563 . 66 ASP H H 7.53 . 1 564 . 66 ASP CA C 52.6 . 1 565 . 66 ASP HA H 4.65 . 1 566 . 66 ASP CB C 43.0 . 1 567 . 66 ASP HB2 H 3.17 . 2 568 . 66 ASP HB3 H 2.91 . 2 569 . 66 ASP C C 174.5 . 1 570 . 67 GLN N N 120.3 . 1 571 . 67 GLN H H 8.91 . 1 572 . 67 GLN CA C 58.5 . 1 573 . 67 GLN HA H 4.29 . 1 574 . 67 GLN CB C 28.9 . 1 575 . 67 GLN HB2 H 2.10 . 2 576 . 67 GLN HB3 H 1.98 . 2 577 . 67 GLN CG C 33.9 . 1 578 . 67 GLN HG2 H 2.59 . 2 579 . 67 GLN HG3 H 2.33 . 2 580 . 67 GLN NE2 N 112.2 . 1 581 . 67 GLN HE21 H 7.60 . 2 582 . 67 GLN HE22 H 6.96 . 2 583 . 67 GLN C C 177.9 . 1 584 . 68 GLU N N 121.3 . 1 585 . 68 GLU H H 9.11 . 1 586 . 68 GLU CA C 60.4 . 1 587 . 68 GLU HA H 3.94 . 1 588 . 68 GLU CB C 28.6 . 1 589 . 68 GLU HB2 H 2.10 . 2 590 . 68 GLU HB3 H 1.94 . 2 591 . 68 GLU CG C 36.7 . 1 592 . 68 GLU HG2 H 2.43 . 2 593 . 68 GLU HG3 H 2.29 . 2 594 . 68 GLU C C 179.7 . 1 595 . 69 THR N N 118.8 . 1 596 . 69 THR H H 8.56 . 1 597 . 69 THR CA C 67.1 . 1 598 . 69 THR HA H 3.66 . 1 599 . 69 THR CB C 67.5 . 1 600 . 69 THR HB H 3.86 . 1 601 . 69 THR HG2 H 0.65 . 1 602 . 69 THR CG2 C 22.8 . 1 603 . 69 THR C C 175.4 . 1 604 . 70 ALA N N 125.1 . 1 605 . 70 ALA H H 7.05 . 1 606 . 70 ALA CA C 55.7 . 1 607 . 70 ALA HA H 3.89 . 1 608 . 70 ALA HB H 1.51 . 1 609 . 70 ALA CB C 17.0 . 1 610 . 70 ALA C C 179.3 . 1 611 . 71 LEU N N 118.3 . 1 612 . 71 LEU H H 8.25 . 1 613 . 71 LEU CA C 58.1 . 1 614 . 71 LEU HA H 4.20 . 1 615 . 71 LEU CB C 41.2 . 1 616 . 71 LEU HB2 H 1.90 . 2 617 . 71 LEU HB3 H 1.56 . 2 618 . 71 LEU CG C 26.9 . 1 619 . 71 LEU HG H 1.82 . 1 620 . 71 LEU HD1 H 0.95 . 2 621 . 71 LEU HD2 H 0.97 . 2 622 . 71 LEU CD1 C 25.1 . 1 623 . 71 LEU CD2 C 23.5 . 1 624 . 71 LEU C C 180.2 . 1 625 . 72 SER N N 116.1 . 1 626 . 72 SER H H 7.88 . 1 627 . 72 SER CA C 60.9 . 1 628 . 72 SER HA H 4.16 . 1 629 . 72 SER CB C 62.9 . 1 630 . 72 SER HB2 H 4.00 . 2 631 . 72 SER C C 176.9 . 1 632 . 73 ALA N N 125.1 . 1 633 . 73 ALA H H 8.43 . 1 634 . 73 ALA CA C 55.9 . 1 635 . 73 ALA HA H 3.98 . 1 636 . 73 ALA HB H 1.82 . 1 637 . 73 ALA CB C 19.1 . 1 638 . 73 ALA C C 179.9 . 1 639 . 74 MET N N 117.7 . 1 640 . 74 MET H H 7.96 . 1 641 . 74 MET CA C 60.1 . 1 642 . 74 MET HA H 3.83 . 1 643 . 74 MET CB C 33.7 . 1 644 . 74 MET HB2 H 2.34 . 2 645 . 74 MET HB3 H 2.26 . 2 646 . 74 MET CG C 32.3 . 1 647 . 74 MET HG2 H 2.77 . 2 648 . 74 MET HG3 H 2.44 . 2 649 . 74 MET HE H 2.25 . 1 650 . 74 MET CE C 17.5 . 1 651 . 74 MET C C 177.9 . 1 652 . 75 ARG N N 116.7 . 1 653 . 75 ARG H H 7.91 . 1 654 . 75 ARG CA C 59.0 . 1 655 . 75 ARG HA H 4.15 . 1 656 . 75 ARG CB C 30.9 . 1 657 . 75 ARG HB2 H 1.93 . 2 658 . 75 ARG HB3 H 1.84 . 2 659 . 75 ARG CG C 27.8 . 1 660 . 75 ARG HG2 H 1.65 . 2 661 . 75 ARG HG3 H 1.82 . 2 662 . 75 ARG CD C 43.4 . 1 663 . 75 ARG HD2 H 3.26 . 2 664 . 75 ARG C C 178.6 . 1 665 . 76 ASN N N 114.4 . 1 666 . 76 ASN H H 8.57 . 1 667 . 76 ASN CA C 55.3 . 1 668 . 76 ASN HA H 4.79 . 1 669 . 76 ASN CB C 40.1 . 1 670 . 76 ASN HB2 H 2.63 . 2 671 . 76 ASN HB3 H 2.56 . 2 672 . 76 ASN ND2 N 115.0 . 1 673 . 76 ASN HD21 H 7.24 . 2 674 . 76 ASN HD22 H 7.03 . 2 675 . 76 ASN C C 176.6 . 1 676 . 77 LEU N N 117.8 . 1 677 . 77 LEU H H 8.63 . 1 678 . 77 LEU CA C 54.8 . 1 679 . 77 LEU HA H 4.48 . 1 680 . 77 LEU CB C 42.5 . 1 681 . 77 LEU HB2 H 1.13 . 2 682 . 77 LEU HB3 H 1.97 . 2 683 . 77 LEU CG C 27.7 . 1 684 . 77 LEU HG H 1.28 . 1 685 . 77 LEU HD1 H 0.46 . 2 686 . 77 LEU HD2 H 0.43 . 2 687 . 77 LEU CD1 C 23.2 . 1 688 . 77 LEU CD2 C 27.0 . 1 689 . 77 LEU C C 176.9 . 1 690 . 78 ASN N N 116.1 . 1 691 . 78 ASN H H 6.84 . 1 692 . 78 ASN CA C 56.4 . 1 693 . 78 ASN HA H 4.43 . 1 694 . 78 ASN CB C 39.1 . 1 695 . 78 ASN HB2 H 3.36 . 2 696 . 78 ASN HB3 H 2.96 . 2 697 . 78 ASN ND2 N 115.8 . 1 698 . 78 ASN HD21 H 7.86 . 2 699 . 78 ASN HD22 H 7.03 . 2 700 . 78 ASN C C 176.5 . 1 701 . 79 GLY N N 118.0 . 1 702 . 79 GLY H H 9.11 . 1 703 . 79 GLY CA C 45.5 . 1 704 . 79 GLY HA2 H 4.31 . 2 705 . 79 GLY HA3 H 3.54 . 2 706 . 79 GLY C C 173.5 . 1 707 . 80 ARG N N 122.7 . 1 708 . 80 ARG H H 7.78 . 1 709 . 80 ARG CA C 55.5 . 1 710 . 80 ARG HA H 4.08 . 1 711 . 80 ARG CB C 30.3 . 1 712 . 80 ARG HB2 H 1.79 . 2 713 . 80 ARG HB3 H 1.96 . 2 714 . 80 ARG CG C 26.4 . 1 715 . 80 ARG HG2 H 1.55 . 2 716 . 80 ARG HG3 H 1.49 . 2 717 . 80 ARG CD C 41.5 . 1 718 . 80 ARG HD2 H 3.32 . 2 719 . 80 ARG HD3 H 3.23 . 2 720 . 80 ARG NE N 82.7 . 1 721 . 80 ARG HE H 7.46 . 1 722 . 80 ARG C C 175.6 . 1 723 . 81 GLU N N 127.5 . 1 724 . 81 GLU H H 8.63 . 1 725 . 81 GLU CA C 56.6 . 1 726 . 81 GLU HA H 4.73 . 1 727 . 81 GLU CB C 30.1 . 1 728 . 81 GLU HB2 H 1.96 . 2 729 . 81 GLU HB3 H 1.85 . 2 730 . 81 GLU CG C 36.8 . 1 731 . 81 GLU HG2 H 2.24 . 2 732 . 81 GLU HG3 H 2.18 . 2 733 . 81 GLU C C 176.6 . 1 734 . 82 PHE N N 127.5 . 1 735 . 82 PHE H H 9.39 . 1 736 . 82 PHE CA C 57.1 . 1 737 . 82 PHE HA H 4.68 . 1 738 . 82 PHE CB C 41.5 . 1 739 . 82 PHE HB2 H 2.88 . 2 740 . 82 PHE C C 174.2 . 1 741 . 83 SER N N 123.6 . 1 742 . 83 SER H H 8.92 . 1 743 . 83 SER CA C 57.9 . 1 744 . 83 SER HA H 3.71 . 1 745 . 83 SER CB C 62.6 . 1 746 . 83 SER HB2 H 3.87 . 2 747 . 83 SER HB3 H 3.06 . 2 748 . 83 SER C C 175.1 . 1 749 . 84 GLY N N 104.5 . 1 750 . 84 GLY H H 8.63 . 1 751 . 84 GLY CA C 45.2 . 1 752 . 84 GLY HA2 H 4.14 . 2 753 . 84 GLY HA3 H 3.64 . 2 754 . 84 GLY C C 174.1 . 1 755 . 85 ARG N N 120.9 . 1 756 . 85 ARG H H 7.86 . 1 757 . 85 ARG CA C 53.8 . 1 758 . 85 ARG HA H 4.59 . 1 759 . 85 ARG CB C 32.7 . 1 760 . 85 ARG HB2 H 2.00 . 2 761 . 85 ARG HB3 H 1.92 . 2 762 . 85 ARG CG C 26.8 . 1 763 . 85 ARG HG2 H 1.59 . 2 764 . 85 ARG CD C 42.9 . 1 765 . 85 ARG HD2 H 3.06 . 2 766 . 85 ARG NE N 84.9 . 1 767 . 85 ARG HE H 6.99 . 1 768 . 85 ARG C C 174.2 . 1 769 . 86 ALA N N 124.7 . 1 770 . 86 ALA H H 8.34 . 1 771 . 86 ALA CA C 50.9 . 1 772 . 86 ALA HA H 4.42 . 1 773 . 86 ALA HB H 1.26 . 1 774 . 86 ALA CB C 18.4 . 1 775 . 86 ALA C C 177.4 . 1 776 . 87 LEU N N 127.9 . 1 777 . 87 LEU H H 9.01 . 1 778 . 87 LEU CA C 55.6 . 1 779 . 87 LEU HA H 4.44 . 1 780 . 87 LEU CB C 42.5 . 1 781 . 87 LEU HB2 H 2.08 . 2 782 . 87 LEU HB3 H 1.27 . 2 783 . 87 LEU CG C 26.6 . 1 784 . 87 LEU HG H 2.16 . 1 785 . 87 LEU HD1 H 0.83 . 1 786 . 87 LEU HD2 H 0.83 . 1 787 . 87 LEU CD1 C 22.9 . 1 788 . 87 LEU CD2 C 25.8 . 1 789 . 87 LEU C C 176.8 . 1 790 . 88 ARG N N 124.1 . 1 791 . 88 ARG H H 8.08 . 1 792 . 88 ARG CA C 53.9 . 1 793 . 88 ARG HA H 4.99 . 1 794 . 88 ARG CB C 32.1 . 1 795 . 88 ARG HB2 H 1.72 . 2 796 . 88 ARG HB3 H 1.75 . 2 797 . 88 ARG CG C 27.6 . 1 798 . 88 ARG HG2 H 1.61 . 2 799 . 88 ARG HG3 H 1.71 . 2 800 . 88 ARG CD C 43.4 . 1 801 . 88 ARG HD2 H 3.37 . 2 802 . 88 ARG HD3 H 3.26 . 2 803 . 88 ARG NE N 85.4 . 1 804 . 88 ARG HE H 7.57 . 1 805 . 88 ARG C C 175.0 . 1 806 . 89 VAL N N 126.6 . 1 807 . 89 VAL H H 8.90 . 1 808 . 89 VAL CA C 61.2 . 1 809 . 89 VAL HA H 5.37 . 1 810 . 89 VAL CB C 34.1 . 1 811 . 89 VAL HB H 1.91 . 1 812 . 89 VAL HG1 H 1.10 . 2 813 . 89 VAL HG2 H 1.07 . 2 814 . 89 VAL CG1 C 22.1 . 1 815 . 89 VAL CG2 C 22.5 . 1 816 . 89 VAL C C 174.3 . 1 817 . 90 ASP N N 127.5 . 1 818 . 90 ASP H H 9.37 . 1 819 . 90 ASP CA C 51.9 . 1 820 . 90 ASP HA H 5.19 . 1 821 . 90 ASP CB C 45.7 . 1 822 . 90 ASP HB2 H 2.84 . 2 823 . 90 ASP HB3 H 2.51 . 2 824 . 90 ASP C C 175.2 . 1 825 . 91 ASN N N 121.1 . 1 826 . 91 ASN H H 9.31 . 1 827 . 91 ASN CA C 54.8 . 1 828 . 91 ASN HA H 4.75 . 1 829 . 91 ASN CB C 39.3 . 1 830 . 91 ASN HB2 H 2.97 . 2 831 . 91 ASN HB3 H 2.88 . 2 832 . 91 ASN ND2 N 113.4 . 1 833 . 91 ASN HD21 H 7.70 . 2 834 . 91 ASN HD22 H 6.88 . 2 835 . 91 ASN C C 175.6 . 1 836 . 92 ALA N N 126.4 . 1 837 . 92 ALA H H 8.58 . 1 838 . 92 ALA CA C 53.3 . 1 839 . 92 ALA HA H 4.49 . 1 840 . 92 ALA HB H 1.45 . 1 841 . 92 ALA CB C 18.9 . 1 842 . 92 ALA C C 178.0 . 1 843 . 93 ALA N N 119.3 . 1 844 . 93 ALA H H 8.15 . 1 845 . 93 ALA CA C 52.2 . 1 846 . 93 ALA HA H 4.27 . 1 847 . 93 ALA HB H 1.34 . 1 848 . 93 ALA CB C 19.0 . 1 849 . 93 ALA C C 178.0 . 1 850 . 94 SER N N 115.0 . 1 851 . 94 SER H H 7.77 . 1 852 . 94 SER CA C 58.2 . 1 853 . 94 SER HA H 4.32 . 1 854 . 94 SER CB C 63.9 . 1 855 . 94 SER HB2 H 4.02 . 2 856 . 94 SER HB3 H 3.86 . 2 857 . 94 SER C C 175.1 . 1 858 . 95 GLU N N 123.7 . 1 859 . 95 GLU H H 8.65 . 1 860 . 95 GLU CA C 58.9 . 1 861 . 95 GLU HA H 4.01 . 1 862 . 95 GLU HB2 H 2.00 . 2 863 . 95 GLU C C 176.3 . 1 864 . 96 LYS N N 119.2 . 1 865 . 96 LYS H H 8.15 . 1 866 . 96 LYS CA C 57.9 . 1 867 . 96 LYS HA H 4.12 . 1 868 . 96 LYS CB C 32.3 . 1 869 . 96 LYS HB2 H 1.69 . 2 870 . 96 LYS HB3 H 1.73 . 2 871 . 96 LYS CG C 24.6 . 1 872 . 96 LYS HG2 H 1.37 . 2 873 . 96 LYS C C 177.8 . 1 874 . 97 ASN N N 118.3 . 1 875 . 97 ASN H H 7.82 . 1 876 . 97 ASN CA C 54.3 . 1 877 . 97 ASN HA H 4.68 . 1 878 . 97 ASN CB C 38.4 . 1 879 . 97 ASN HB2 H 2.69 . 2 880 . 97 ASN HB3 H 2.62 . 2 881 . 97 ASN CG C 175.4 . 1 882 . 97 ASN ND2 N 111.6 . 1 883 . 97 ASN HD21 H 7.38 . 2 884 . 97 ASN HD22 H 6.53 . 2 885 . 97 ASN C C 176.3 . 1 886 . 98 LYS N N 121.6 . 1 887 . 98 LYS H H 8.21 . 1 888 . 98 LYS CA C 59.1 . 1 889 . 98 LYS HA H 4.02 . 1 890 . 98 LYS CB C 32.3 . 1 891 . 98 LYS HB2 H 1.88 . 2 892 . 98 LYS HB3 H 1.82 . 2 893 . 98 LYS HG2 H 1.76 . 2 894 . 98 LYS CD C 27.3 . 1 895 . 98 LYS HD2 H 1.45 . 2 896 . 98 LYS HD3 H 1.39 . 2 897 . 98 LYS CE C 43.6 . 1 898 . 98 LYS HE2 H 3.05 . 2 899 . 98 LYS C C 178.6 . 1 900 . 99 GLU N N 120.5 . 1 901 . 99 GLU H H 8.13 . 1 902 . 99 GLU CA C 58.4 . 1 903 . 99 GLU C C 178.5 . 1 904 . 100 GLU N N 121.6 . 1 905 . 100 GLU H H 8.23 . 1 906 . 100 GLU CA C 58.6 . 1 907 . 100 GLU HA H 4.17 . 1 908 . 100 GLU CB C 29.5 . 1 909 . 100 GLU HB3 H 2.11 . 2 910 . 100 GLU CG C 36.3 . 1 911 . 100 GLU HG2 H 2.36 . 2 912 . 100 GLU HG3 H 2.29 . 2 913 . 100 GLU C C 178.5 . 1 914 . 101 LEU N N 121.6 . 1 915 . 101 LEU H H 8.12 . 1 916 . 101 LEU CA C 56.8 . 1 917 . 101 LEU HA H 3.84 . 1 918 . 101 LEU CB C 41.6 . 1 919 . 101 LEU HB2 H 1.43 . 2 920 . 101 LEU CG C 26.7 . 1 921 . 101 LEU HG H 1.32 . 1 922 . 101 LEU HD1 H 0.59 . 2 923 . 101 LEU HD2 H 0.55 . 2 924 . 101 LEU CD1 C 24.5 . 1 925 . 101 LEU CD2 C 23.9 . 1 926 . 101 LEU C C 178.8 . 1 927 . 102 LYS N N 120.6 . 1 928 . 102 LYS H H 7.87 . 1 929 . 102 LYS CA C 58.2 . 1 930 . 102 LYS HA H 4.10 . 1 931 . 102 LYS CB C 32.3 . 1 932 . 102 LYS HB2 H 1.86 . 2 933 . 102 LYS HB3 H 1.89 . 2 934 . 102 LYS CG C 25.0 . 1 935 . 102 LYS HG2 H 1.41 . 2 936 . 102 LYS HG3 H 1.51 . 2 937 . 102 LYS C C 178.1 . 1 938 . 103 SER N N 115.4 . 1 939 . 103 SER H H 7.93 . 1 940 . 103 SER CA C 59.3 . 1 941 . 103 SER HA H 4.41 . 1 942 . 103 SER CB C 63.6 . 1 943 . 103 SER HB2 H 4.00 . 2 944 . 103 SER HB3 H 3.98 . 2 945 . 103 SER C C 175.0 . 1 946 . 104 LEU N N 123.4 . 1 947 . 104 LEU H H 7.81 . 1 948 . 104 LEU CA C 55.8 . 1 949 . 104 LEU HA H 4.31 . 1 950 . 104 LEU CB C 42.2 . 1 951 . 104 LEU HB2 H 1.72 . 2 952 . 104 LEU HB3 H 1.58 . 2 953 . 104 LEU CG C 26.8 . 1 954 . 104 LEU HG H 1.61 . 1 955 . 104 LEU HD1 H 0.84 . 2 956 . 104 LEU HD2 H 0.93 . 2 957 . 104 LEU CD1 C 23.5 . 1 958 . 104 LEU CD2 C 24.9 . 1 959 . 104 LEU C C 178.1 . 1 960 . 105 GLY N N 108.5 . 1 961 . 105 GLY H H 8.12 . 1 962 . 105 GLY CA C 45.3 . 1 963 . 105 GLY HA2 H 4.03 . 2 964 . 105 GLY C C 174.5 . 1 965 . 106 THR N N 113.4 . 1 966 . 106 THR H H 8.13 . 1 967 . 106 THR CA C 61.9 . 1 968 . 106 THR HA H 4.36 . 1 969 . 106 THR CB C 69.8 . 1 970 . 106 THR HB H 4.30 . 1 971 . 106 THR HG2 H 1.21 . 1 972 . 106 THR CG2 C 21.5 . 1 973 . 106 THR C C 175.4 . 1 974 . 107 GLY N N 111.9 . 1 975 . 107 GLY H H 8.46 . 1 976 . 107 GLY CA C 45.0 . 1 977 . 107 GLY HA2 H 3.96 . 2 978 . 108 ALA N N 125.6 . 1 979 . 108 ALA H H 8.07 . 1 980 . 108 ALA CA C 50.4 . 1 981 . 108 ALA HA H 4.59 . 1 982 . 108 ALA HB H 1.35 . 1 983 . 108 ALA CB C 18.3 . 1 984 . 109 PRO CD C 50.4 . 1 985 . 109 PRO CA C 62.2 . 1 986 . 109 PRO HA H 4.44 . 1 987 . 109 PRO CB C 32.0 . 1 988 . 109 PRO HB2 H 2.25 . 2 989 . 109 PRO HB3 H 1.85 . 2 990 . 109 PRO CG C 27.4 . 1 991 . 109 PRO HG2 H 2.01 . 2 992 . 109 PRO HD2 H 3.78 . 2 993 . 109 PRO HD3 H 3.63 . 2 994 . 109 PRO C C 176.0 . 1 995 . 110 VAL N N 126.7 . 1 996 . 110 VAL H H 8.27 . 1 997 . 110 VAL CA C 60.9 . 1 998 . 110 VAL HA H 4.22 . 1 999 . 110 VAL C C 175.2 . 1 1000 . 111 ILE N N 131.2 . 1 1001 . 111 ILE H H 8.02 . 1 1002 . 111 ILE CA C 57.8 . 1 stop_ save_