data_5999 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Assignments of the Drosophila Argonaute 2 Paz domain ; _BMRB_accession_number 5999 _BMRB_flat_file_name bmr5999.str _Entry_type original _Submission_date 2003-11-07 _Accession_date 2003-11-10 _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 Lingel Andreas . . 2 Simon Bernd . . 3 Izaurralde Elisa . . 4 Sattler Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 740 "13C chemical shifts" 470 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-06-30 original author . stop_ _Original_release_date 2004-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Letter to the Editor: NMR Assignments of the Drosophila Argonaute 2 PAZ domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213449 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lingel Andreas . . 2 Simon Bernd . . 3 Izaurralde Elisa . . 4 Sattler Michael . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 421 _Page_last 422 _Year 2004 _Details . loop_ _Keyword 'PAZ domain' RNAi Argonaute stop_ save_ ################################## # Molecular system description # ################################## save_system_PAZ _Saveframe_category molecular_system _Mol_system_name 'Argonaute 2 PAZ domain' _Abbreviation_common PAZ _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ago2 PAZ domain' $Ago2_PAZ stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'nucleic acid binding domain' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ago2_PAZ _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Argonaute 2 PAZ domain' _Abbreviation_common 'Ago2 PAZ' _Molecular_mass 16065 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; GAMAMPMIEYLERFSLKAKI NNTTNLDYSRRFLEPFLRGI NVVYTPPQSFQSAPRVYRVN GLSRAPASSETFEHDGKKVT IASYFHSRNYPLKFPQLHCL NVGSSIKSILLPIELCSIEE GQALNRKDGATQVANMIKYA ATS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 MET 6 PRO 7 MET 8 ILE 9 GLU 10 TYR 11 LEU 12 GLU 13 ARG 14 PHE 15 SER 16 LEU 17 LYS 18 ALA 19 LYS 20 ILE 21 ASN 22 ASN 23 THR 24 THR 25 ASN 26 LEU 27 ASP 28 TYR 29 SER 30 ARG 31 ARG 32 PHE 33 LEU 34 GLU 35 PRO 36 PHE 37 LEU 38 ARG 39 GLY 40 ILE 41 ASN 42 VAL 43 VAL 44 TYR 45 THR 46 PRO 47 PRO 48 GLN 49 SER 50 PHE 51 GLN 52 SER 53 ALA 54 PRO 55 ARG 56 VAL 57 TYR 58 ARG 59 VAL 60 ASN 61 GLY 62 LEU 63 SER 64 ARG 65 ALA 66 PRO 67 ALA 68 SER 69 SER 70 GLU 71 THR 72 PHE 73 GLU 74 HIS 75 ASP 76 GLY 77 LYS 78 LYS 79 VAL 80 THR 81 ILE 82 ALA 83 SER 84 TYR 85 PHE 86 HIS 87 SER 88 ARG 89 ASN 90 TYR 91 PRO 92 LEU 93 LYS 94 PHE 95 PRO 96 GLN 97 LEU 98 HIS 99 CYS 100 LEU 101 ASN 102 VAL 103 GLY 104 SER 105 SER 106 ILE 107 LYS 108 SER 109 ILE 110 LEU 111 LEU 112 PRO 113 ILE 114 GLU 115 LEU 116 CYS 117 SER 118 ILE 119 GLU 120 GLU 121 GLY 122 GLN 123 ALA 124 LEU 125 ASN 126 ARG 127 LYS 128 ASP 129 GLY 130 ALA 131 THR 132 GLN 133 VAL 134 ALA 135 ASN 136 MET 137 ILE 138 LYS 139 TYR 140 ALA 141 ALA 142 THR 143 SER 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 1R6Z "The Crystal Structure Of The Argonaute2 Paz Domain (as A Mbp Fusion)" 88.81 509 98.43 100.00 3.04e-84 PDB 1T2R "Structural Basis For 3' End Recognition Of Nucleic Acids By The Drosophila Argonaute 2 Paz Domain" 86.01 123 100.00 100.00 4.41e-85 PDB 1T2S "Structural Basis For 3' End Recognition Of Nucleic Acids By The Drosophila Argonaute 2 Paz Domain" 86.01 123 100.00 100.00 4.41e-85 PDB 1VYN "Structure And Nucleic Acid Binding Of The Drosophila Argonaute2 Paz Domain" 100.00 143 100.00 100.00 6.71e-101 PDB 3MJ0 "Crystal Structure Of Drosophia Ago-Paz Domain In Complex With 3'-End 2'-O-Methylated Rna" 86.01 124 99.19 100.00 2.01e-84 GB AAF49619 "argonaute 2, isoform B [Drosophila melanogaster]" 98.60 1214 98.58 100.00 5.86e-87 GB AAF49620 "argonaute 2, isoform C [Drosophila melanogaster]" 98.60 1217 98.58 100.00 1.20e-86 GB AAM11104 "GM07030p [Drosophila melanogaster]" 98.60 694 98.58 100.00 8.10e-91 GB AAO39550 "RE04347p [Drosophila melanogaster]" 98.60 1214 98.58 100.00 5.69e-87 GB ABB54719 "Argonaute-2 [Drosophila melanogaster]" 98.60 839 98.58 100.00 8.06e-90 REF NP_001261882 "argonaute 2, isoform E [Drosophila melanogaster]" 98.60 787 98.58 100.00 3.01e-90 REF NP_648775 "argonaute 2, isoform B [Drosophila melanogaster]" 98.60 1214 98.58 100.00 5.86e-87 REF NP_730054 "argonaute 2, isoform C [Drosophila melanogaster]" 98.60 1217 98.58 100.00 1.20e-86 SP Q9VUQ5 "RecName: Full=Protein argonaute-2 [Drosophila melanogaster]" 98.60 1214 98.58 100.00 5.86e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ago2_PAZ 'Fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $Ago2_PAZ '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 $Ago2_PAZ . mM 1.0 1.5 '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'peak assignments' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Task 'Structure Calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details 'Equipped with crygenic probe' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'Equipped with crygenic probe' save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label . save_ save_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_(H)C-HMQC-NOESY-1H-15N-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C-HMQC-NOESY-1H-15N-HSQC _Sample_label . save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_H(CCCO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH-TOCSY _Sample_label . save_ save_(H)C(CCCO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CCCO)NH-TOCSY _Sample_label . save_ save_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNHA-J_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA-J _Sample_label . save_ save_15N_T1,_T2,_hetNOE_12 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1, T2, hetNOE' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C-HMQC-NOESY-1H-15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CCCO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA-J _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1, T2, hetNOE' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.2 n/a temperature 295 0.5 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 _Reference_correction_type H2O H 1 protons ppm 4.79 internal direct cylindrical internal parallel 1.0 'temperature, salt, pH' H2O C 13 protons ppm 4.79 external indirect . . . 0.251449530 . H2O N 15 protons ppm 4.79 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Ago2 PAZ 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 . 2 ALA CA C 52.500 . 1 2 . 2 ALA HA H 4.280 . 1 3 . 2 ALA CB C 19.896 . 1 4 . 2 ALA HB H 1.312 . 1 5 . 3 MET N N 119.583 . 1 6 . 3 MET H H 8.488 . 1 7 . 3 MET CA C 55.200 . 1 8 . 3 MET HA H 4.423 . 1 9 . 3 MET CB C 33.340 . 1 10 . 3 MET HB3 H 2.049 . 2 11 . 3 MET HB2 H 1.950 . 2 12 . 3 MET CG C 32.260 . 1 13 . 3 MET HG3 H 2.486 . 2 14 . 3 MET HG2 H 2.551 . 2 15 . 3 MET CE C 17.162 . 1 16 . 3 MET HE H 2.019 . 1 17 . 4 ALA N N 125.055 . 1 18 . 4 ALA H H 8.205 . 1 19 . 4 ALA CA C 51.881 . 1 20 . 4 ALA HA H 4.474 . 1 21 . 4 ALA CB C 20.184 . 1 22 . 4 ALA HB H 1.180 . 1 23 . 5 MET N N 122.200 . 1 24 . 5 MET H H 8.481 . 1 25 . 5 MET CA C 53.265 . 1 26 . 5 MET HA H 4.831 . 1 27 . 5 MET CB C 35.760 . 1 28 . 5 MET HB3 H 2.009 . 2 29 . 5 MET HB2 H 2.140 . 2 30 . 5 MET CG C 31.180 . 1 31 . 5 MET HG3 H 2.542 . 2 32 . 5 MET HG2 H 2.721 . 2 33 . 5 MET CE C 17.162 . 1 34 . 5 MET HE H 2.146 . 1 35 . 6 PRO CA C 63.810 . 1 36 . 6 PRO HA H 4.422 . 1 37 . 6 PRO CB C 33.340 . 1 38 . 6 PRO HB3 H 2.677 . 2 39 . 6 PRO HB2 H 1.870 . 2 40 . 6 PRO CG C 28.480 . 1 41 . 6 PRO HG3 H 1.990 . 2 42 . 6 PRO HG2 H 2.205 . 2 43 . 6 PRO CD C 51.680 . 1 44 . 6 PRO HD3 H 4.019 . 2 45 . 6 PRO HD2 H 3.760 . 2 46 . 7 MET N N 125.531 . 1 47 . 7 MET H H 9.130 . 1 48 . 7 MET CA C 57.396 . 1 49 . 7 MET HA H 4.415 . 1 50 . 7 MET CB C 31.450 . 1 51 . 7 MET HB3 H 1.850 . 2 52 . 7 MET HB2 H 1.980 . 2 53 . 7 MET CG C 34.420 . 1 54 . 7 MET HG3 H 2.192 . 2 55 . 7 MET HG2 H 2.340 . 2 56 . 7 MET CE C 17.702 . 1 57 . 7 MET HE H 1.794 . 1 58 . 8 ILE N N 119.107 . 1 59 . 8 ILE H H 9.072 . 1 60 . 8 ILE CA C 64.823 . 1 61 . 8 ILE HA H 3.469 . 1 62 . 8 ILE CB C 36.822 . 1 63 . 8 ILE HB H 1.822 . 1 64 . 8 ILE CG1 C 28.901 . 1 65 . 8 ILE HG13 H 1.179 . 2 66 . 8 ILE HG12 H 1.600 . 2 67 . 8 ILE CD1 C 11.996 . 1 68 . 8 ILE HD1 H 0.535 . 1 69 . 8 ILE CG2 C 16.751 . 1 70 . 8 ILE HG2 H 0.715 . 1 71 . 9 GLU N N 118.155 . 1 72 . 9 GLU H H 6.418 . 1 73 . 9 GLU CA C 58.928 . 1 74 . 9 GLU HA H 4.137 . 1 75 . 9 GLU CB C 30.106 . 1 76 . 9 GLU HB2 H 2.060 . 1 77 . 9 GLU CG C 36.578 . 1 78 . 9 GLU HG2 H 2.298 . 1 79 . 10 TYR N N 120.059 . 1 80 . 10 TYR H H 8.272 . 1 81 . 10 TYR CA C 62.190 . 1 82 . 10 TYR HA H 4.295 . 1 83 . 10 TYR CB C 39.810 . 1 84 . 10 TYR HB3 H 2.965 . 2 85 . 10 TYR HB2 H 3.285 . 2 86 . 10 TYR CD1 C 134.030 . 1 87 . 10 TYR HD1 H 7.087 . 1 88 . 10 TYR CE1 C 119.100 . 1 89 . 10 TYR HE1 H 6.387 . 1 90 . 11 LEU N N 116.728 . 1 91 . 11 LEU H H 8.547 . 1 92 . 11 LEU CA C 58.420 . 1 93 . 11 LEU HA H 3.876 . 1 94 . 11 LEU CB C 42.240 . 1 95 . 11 LEU HB3 H 1.195 . 2 96 . 11 LEU HB2 H 2.122 . 2 97 . 11 LEU CG C 27.578 . 1 98 . 11 LEU HG H 2.151 . 1 99 . 11 LEU CD2 C 23.900 . 1 100 . 11 LEU HD2 H 0.931 . 1 101 . 11 LEU CD1 C 25.995 . 1 102 . 11 LEU HD1 H 0.862 . 1 103 . 12 GLU N N 120.059 . 1 104 . 12 GLU H H 8.478 . 1 105 . 12 GLU CA C 60.255 . 1 106 . 12 GLU HA H 3.920 . 1 107 . 12 GLU CB C 30.640 . 1 108 . 12 GLU HB3 H 1.590 . 2 109 . 12 GLU HB2 H 2.273 . 2 110 . 12 GLU CG C 36.448 . 1 111 . 12 GLU HG3 H 2.540 . 2 112 . 12 GLU HG2 H 2.680 . 2 113 . 13 ARG N N 114.825 . 1 114 . 13 ARG H H 8.362 . 1 115 . 13 ARG CA C 58.960 . 1 116 . 13 ARG HA H 3.675 . 1 117 . 13 ARG CB C 31.313 . 1 118 . 13 ARG HB3 H 0.816 . 2 119 . 13 ARG HB2 H 1.139 . 2 120 . 13 ARG CG C 27.670 . 1 121 . 13 ARG HG3 H 1.510 . 2 122 . 13 ARG HG2 H 0.984 . 2 123 . 13 ARG CD C 44.130 . 1 124 . 13 ARG HD3 H 2.880 . 2 125 . 13 ARG HD2 H 2.748 . 2 126 . 14 PHE N N 111.494 . 1 127 . 14 PHE H H 7.759 . 1 128 . 14 PHE CA C 58.740 . 1 129 . 14 PHE HA H 4.531 . 1 130 . 14 PHE CB C 39.767 . 1 131 . 14 PHE HB3 H 2.295 . 2 132 . 14 PHE HB2 H 2.968 . 2 133 . 14 PHE CD1 C 133.219 . 1 134 . 14 PHE HD1 H 7.024 . 1 135 . 14 PHE HE1 H 7.164 . 1 136 . 15 SER N N 110.780 . 1 137 . 15 SER H H 7.162 . 1 138 . 15 SER CA C 59.730 . 1 139 . 15 SER HA H 4.227 . 1 140 . 15 SER CB C 64.890 . 1 141 . 15 SER HB3 H 2.705 . 2 142 . 15 SER HB2 H 3.201 . 2 143 . 16 LEU N N 117.918 . 1 144 . 16 LEU H H 8.574 . 1 145 . 16 LEU CA C 56.800 . 1 146 . 16 LEU HA H 3.989 . 1 147 . 16 LEU CB C 42.780 . 1 148 . 16 LEU HB3 H 1.580 . 2 149 . 16 LEU HB2 H 1.436 . 2 150 . 16 LEU CG C 27.940 . 1 151 . 16 LEU HG H 1.490 . 1 152 . 16 LEU CD1 C 23.090 . 2 153 . 16 LEU HD1 H 0.758 . 2 154 . 16 LEU CD2 C 26.060 . 2 155 . 16 LEU HD2 H 0.720 . 2 156 . 17 LYS N N 112.360 . 1 157 . 17 LYS H H 7.371 . 1 158 . 17 LYS CA C 56.800 . 1 159 . 17 LYS HA H 3.820 . 1 160 . 17 LYS CB C 28.900 . 1 161 . 17 LYS HB3 H 1.687 . 2 162 . 17 LYS HB2 H 1.780 . 2 163 . 17 LYS CG C 24.980 . 1 164 . 17 LYS HG2 H 0.984 . 1 165 . 17 LYS CD C 29.020 . 1 166 . 17 LYS HD2 H 1.380 . 1 167 . 17 LYS CE C 42.240 . 1 168 . 17 LYS HE3 H 2.680 . 2 169 . 17 LYS HE2 H 2.730 . 2 170 . 18 ALA N N 118.393 . 1 171 . 18 ALA H H 7.422 . 1 172 . 18 ALA CA C 51.140 . 1 173 . 18 ALA HA H 4.200 . 1 174 . 18 ALA CB C 22.010 . 1 175 . 18 ALA HB H 1.106 . 1 176 . 19 LYS N N 116.490 . 1 177 . 19 LYS H H 7.857 . 1 178 . 19 LYS CA C 55.356 . 1 179 . 19 LYS HA H 3.988 . 1 180 . 19 LYS CB C 31.972 . 1 181 . 19 LYS HB3 H 1.335 . 2 182 . 19 LYS HB2 H 1.540 . 2 183 . 19 LYS CG C 24.177 . 1 184 . 19 LYS HG2 H 1.944 . 1 185 . 19 LYS CD C 27.910 . 1 186 . 19 LYS HE2 H 2.890 . 1 187 . 20 ILE N N 126.960 . 1 188 . 20 ILE H H 10.079 . 1 189 . 20 ILE CA C 61.800 . 1 190 . 20 ILE HA H 3.860 . 1 191 . 20 ILE CB C 37.500 . 1 192 . 20 ILE HB H 1.501 . 1 193 . 20 ILE CG1 C 30.222 . 1 194 . 20 ILE HG13 H 0.786 . 2 195 . 20 ILE HG12 H 1.670 . 2 196 . 20 ILE CD1 C 17.700 . 1 197 . 20 ILE HD1 H 0.280 . 1 198 . 20 ILE CG2 C 13.840 . 1 199 . 20 ILE HG2 H 0.780 . 1 200 . 21 ASN N N 125.293 . 1 201 . 21 ASN H H 8.967 . 1 202 . 21 ASN CA C 52.210 . 1 203 . 21 ASN HA H 4.840 . 1 204 . 21 ASN CB C 40.350 . 1 205 . 21 ASN HB3 H 2.705 . 2 206 . 21 ASN HB2 H 3.214 . 2 207 . 22 ASN N N 114.825 . 1 208 . 22 ASN H H 8.612 . 1 209 . 22 ASN CA C 56.100 . 1 210 . 22 ASN HA H 4.560 . 1 211 . 22 ASN CB C 38.190 . 1 212 . 22 ASN HB3 H 3.000 . 2 213 . 22 ASN HB2 H 2.910 . 2 214 . 23 THR N N 107.780 . 1 215 . 23 THR H H 8.592 . 1 216 . 23 THR CA C 61.650 . 1 217 . 23 THR HA H 4.445 . 1 218 . 23 THR CB C 70.280 . 1 219 . 23 THR HB H 4.350 . 1 220 . 23 THR CG2 C 21.740 . 1 221 . 23 THR HG2 H 1.085 . 1 222 . 24 THR N N 122.200 . 1 223 . 24 THR H H 7.497 . 1 224 . 24 THR CA C 65.970 . 1 225 . 24 THR HA H 3.779 . 1 226 . 24 THR CB C 69.470 . 1 227 . 24 THR HB H 3.716 . 1 228 . 24 THR CG2 C 22.280 . 1 229 . 24 THR HG2 H 1.030 . 1 230 . 25 ASN N N 123.628 . 1 231 . 25 ASN H H 8.662 . 1 232 . 25 ASN CA C 51.140 . 1 233 . 25 ASN HA H 5.102 . 1 234 . 25 ASN CB C 39.202 . 1 235 . 25 ASN HB3 H 2.643 . 2 236 . 25 ASN HB2 H 2.909 . 2 237 . 26 LEU N N 124.103 . 1 238 . 26 LEU H H 10.180 . 1 239 . 26 LEU CA C 56.260 . 1 240 . 26 LEU HA H 3.998 . 1 241 . 26 LEU CB C 40.600 . 1 242 . 26 LEU HB3 H 1.187 . 2 243 . 26 LEU HB2 H 1.648 . 2 244 . 26 LEU CG C 28.370 . 1 245 . 26 LEU HG H 1.503 . 1 246 . 26 LEU CD1 C 26.600 . 1 247 . 26 LEU HD1 H 0.780 . 2 248 . 26 LEU CD2 C 22.033 . 2 249 . 26 LEU HD2 H 0.620 . 2 250 . 27 ASP N N 118.785 . 1 251 . 27 ASP H H 8.371 . 1 252 . 27 ASP CA C 58.220 . 1 253 . 27 ASP HA H 4.030 . 1 254 . 27 ASP CB C 40.787 . 1 255 . 27 ASP HB3 H 2.353 . 2 256 . 27 ASP HB2 H 2.500 . 2 257 . 28 TYR N N 115.063 . 1 258 . 28 TYR H H 7.235 . 1 259 . 28 TYR CA C 59.230 . 1 260 . 28 TYR HA H 4.420 . 1 261 . 28 TYR CB C 37.380 . 1 262 . 28 TYR HB3 H 3.001 . 2 263 . 28 TYR HB2 H 3.243 . 2 264 . 28 TYR CD1 C 133.502 . 1 265 . 28 TYR HD1 H 7.180 . 1 266 . 28 TYR CE1 C 119.383 . 1 267 . 28 TYR HE1 H 6.874 . 1 268 . 29 SER N N 111.880 . 1 269 . 29 SER H H 7.359 . 1 270 . 29 SER CA C 57.880 . 1 271 . 29 SER HA H 4.460 . 1 272 . 29 SER CB C 64.080 . 1 273 . 29 SER HB3 H 3.356 . 2 274 . 29 SER HB2 H 3.694 . 2 275 . 30 ARG N N 123.780 . 1 276 . 30 ARG H H 7.364 . 1 277 . 30 ARG CA C 61.125 . 1 278 . 30 ARG HA H 3.368 . 1 279 . 30 ARG CB C 31.180 . 1 280 . 30 ARG HB3 H 1.820 . 2 281 . 30 ARG HB2 H 1.620 . 2 282 . 30 ARG CG C 28.480 . 1 283 . 30 ARG HG3 H 1.277 . 2 284 . 30 ARG HG2 H 1.440 . 2 285 . 30 ARG CD C 43.320 . 1 286 . 30 ARG HD3 H 3.010 . 2 287 . 30 ARG HD2 H 3.250 . 2 288 . 31 ARG N N 114.825 . 1 289 . 31 ARG H H 8.398 . 1 290 . 31 ARG CA C 58.600 . 1 291 . 31 ARG HA H 4.000 . 1 292 . 31 ARG CB C 29.570 . 1 293 . 31 ARG HB3 H 1.515 . 2 294 . 31 ARG HB2 H 1.690 . 2 295 . 31 ARG CG C 26.812 . 1 296 . 31 ARG HG2 H 1.280 . 1 297 . 31 ARG CD C 43.390 . 1 298 . 31 ARG HD2 H 3.012 . 1 299 . 32 PHE N N 113.873 . 1 300 . 32 PHE H H 7.104 . 1 301 . 32 PHE CA C 57.427 . 1 302 . 32 PHE HA H 4.780 . 1 303 . 32 PHE CB C 39.995 . 1 304 . 32 PHE HB2 H 3.044 . 1 305 . 32 PHE HD1 H 7.076 . 1 306 . 32 PHE CE1 C 130.113 . 1 307 . 32 PHE HE1 H 7.259 . 1 308 . 33 LEU N N 121.724 . 1 309 . 33 LEU H H 8.083 . 1 310 . 33 LEU CA C 57.340 . 1 311 . 33 LEU HA H 4.157 . 1 312 . 33 LEU CB C 44.120 . 1 313 . 33 LEU HB3 H 1.142 . 2 314 . 33 LEU HB2 H 1.336 . 2 315 . 33 LEU CG C 27.316 . 1 316 . 33 LEU HG H 1.480 . 1 317 . 33 LEU CD1 C 26.060 . 1 318 . 33 LEU HD1 H 0.761 . 1 319 . 33 LEU CD2 C 26.705 . 1 320 . 33 LEU HD2 H 0.775 . 1 321 . 34 GLU N N 117.202 . 1 322 . 34 GLU H H 8.358 . 1 323 . 34 GLU CA C 63.200 . 1 324 . 34 GLU HA H 3.938 . 1 325 . 34 GLU CB C 27.600 . 1 326 . 34 GLU HB2 H 2.060 . 1 327 . 34 GLU CG C 39.000 . 1 328 . 34 GLU HG3 H 2.070 . 2 329 . 34 GLU HG2 H 2.300 . 2 330 . 35 PRO CA C 65.900 . 1 331 . 35 PRO HA H 4.207 . 1 332 . 35 PRO CB C 31.204 . 1 333 . 35 PRO HB3 H 1.700 . 2 334 . 35 PRO HB2 H 2.230 . 2 335 . 35 PRO CG C 28.460 . 1 336 . 35 PRO HG3 H 2.070 . 2 337 . 35 PRO HG2 H 1.940 . 2 338 . 35 PRO CD C 50.500 . 1 339 . 35 PRO HD3 H 3.521 . 2 340 . 35 PRO HD2 H 3.444 . 2 341 . 36 PHE N N 115.450 . 1 342 . 36 PHE H H 6.966 . 1 343 . 36 PHE CA C 60.333 . 1 344 . 36 PHE HA H 4.268 . 1 345 . 36 PHE CB C 39.995 . 1 346 . 36 PHE HB2 H 3.198 . 1 347 . 36 PHE HD1 H 7.157 . 1 348 . 36 PHE HE1 H 7.010 . 1 349 . 36 PHE HZ H 6.873 . 1 350 . 37 LEU N N 115.538 . 1 351 . 37 LEU H H 7.816 . 1 352 . 37 LEU CA C 55.180 . 1 353 . 37 LEU HA H 3.988 . 1 354 . 37 LEU CB C 44.221 . 1 355 . 37 LEU HB3 H 1.223 . 2 356 . 37 LEU HB2 H 1.667 . 2 357 . 37 LEU CG C 26.260 . 1 358 . 37 LEU HG H 1.945 . 1 359 . 37 LEU CD1 C 23.618 . 2 360 . 37 LEU HD1 H 0.786 . 2 361 . 37 LEU CD2 C 26.524 . 2 362 . 37 LEU HD2 H 0.630 . 2 363 . 38 ARG N N 116.728 . 1 364 . 38 ARG H H 7.370 . 1 365 . 38 ARG CA C 59.010 . 1 366 . 38 ARG HA H 3.603 . 1 367 . 38 ARG CB C 29.830 . 1 368 . 38 ARG HB2 H 1.680 . 1 369 . 38 ARG CG C 27.300 . 1 370 . 38 ARG HG3 H 1.628 . 2 371 . 38 ARG HG2 H 1.443 . 2 372 . 38 ARG CD C 44.120 . 1 373 . 38 ARG HD2 H 3.146 . 1 374 . 39 GLY N N 113.635 . 1 375 . 39 GLY H H 8.975 . 1 376 . 39 GLY CA C 45.540 . 1 377 . 39 GLY HA3 H 3.478 . 2 378 . 39 GLY HA2 H 4.200 . 2 379 . 40 ILE N N 117.442 . 1 380 . 40 ILE H H 7.509 . 1 381 . 40 ILE CA C 61.918 . 1 382 . 40 ILE HA H 4.170 . 1 383 . 40 ILE CB C 39.270 . 1 384 . 40 ILE HB H 1.750 . 1 385 . 40 ILE CG1 C 26.260 . 1 386 . 40 ILE HG13 H 1.150 . 2 387 . 40 ILE HG12 H 1.340 . 2 388 . 40 ILE CD1 C 15.000 . 1 389 . 40 ILE HD1 H 0.564 . 1 390 . 40 ILE CG2 C 17.430 . 1 391 . 40 ILE HG2 H 0.656 . 1 392 . 41 ASN N N 120.535 . 1 393 . 41 ASN H H 8.396 . 1 394 . 41 ASN CA C 51.881 . 1 395 . 41 ASN HA H 5.685 . 1 396 . 41 ASN CB C 40.080 . 1 397 . 41 ASN HB3 H 2.198 . 2 398 . 41 ASN HB2 H 2.568 . 2 399 . 42 VAL N N 113.873 . 1 400 . 42 VAL H H 9.181 . 1 401 . 42 VAL CA C 58.210 . 1 402 . 42 VAL HA H 4.985 . 1 403 . 42 VAL CB C 35.770 . 1 404 . 42 VAL HB H 1.960 . 1 405 . 42 VAL CG2 C 18.240 . 1 406 . 42 VAL HG2 H 0.713 . 1 407 . 42 VAL CG1 C 22.550 . 1 408 . 42 VAL HG1 H 0.695 . 1 409 . 43 VAL N N 120.059 . 1 410 . 43 VAL H H 8.973 . 1 411 . 43 VAL CA C 61.650 . 1 412 . 43 VAL HA H 4.360 . 1 413 . 43 VAL CB C 32.800 . 1 414 . 43 VAL HB H 1.850 . 1 415 . 43 VAL CG1 C 21.241 . 1 416 . 43 VAL HG1 H 0.611 . 1 417 . 43 VAL CG2 C 21.241 . 1 418 . 43 VAL HG2 H 0.733 . 1 419 . 44 TYR N N 131.003 . 1 420 . 44 TYR H H 9.575 . 1 421 . 44 TYR CA C 55.562 . 1 422 . 44 TYR HA H 5.269 . 1 423 . 44 TYR CB C 40.519 . 1 424 . 44 TYR HB3 H 3.040 . 2 425 . 44 TYR HB2 H 3.090 . 2 426 . 44 TYR CD1 C 134.066 . 1 427 . 44 TYR HD1 H 7.050 . 1 428 . 44 TYR CE1 C 119.100 . 1 429 . 44 TYR HE1 H 6.710 . 1 430 . 45 THR N N 124.240 . 1 431 . 45 THR H H 8.100 . 1 432 . 45 THR CA C 58.960 . 1 433 . 45 THR HA H 4.230 . 1 434 . 45 THR CB C 69.200 . 1 435 . 45 THR HB H 3.753 . 1 436 . 45 THR CG2 C 21.470 . 1 437 . 45 THR HG2 H 0.910 . 1 438 . 46 PRO CA C 60.840 . 1 439 . 46 PRO HA H 3.850 . 1 440 . 46 PRO CB C 30.220 . 1 441 . 46 PRO HB3 H 1.980 . 2 442 . 46 PRO HB2 H 1.428 . 2 443 . 46 PRO CG C 27.100 . 1 444 . 46 PRO HG2 H 1.620 . 1 445 . 46 PRO CD C 50.600 . 1 446 . 46 PRO HD3 H 3.154 . 2 447 . 46 PRO HD2 H 2.915 . 2 448 . 47 PRO CA C 62.440 . 1 449 . 47 PRO HA H 3.930 . 1 450 . 47 PRO CB C 32.010 . 1 451 . 47 PRO HB3 H 1.800 . 2 452 . 47 PRO HB2 H 1.316 . 2 453 . 47 PRO CG C 27.840 . 1 454 . 47 PRO HG3 H 0.910 . 2 455 . 47 PRO HG2 H 0.610 . 2 456 . 47 PRO CD C 49.500 . 1 457 . 47 PRO HD3 H 3.041 . 2 458 . 47 PRO HD2 H 1.780 . 2 459 . 48 GLN N N 125.531 . 1 460 . 48 GLN H H 8.972 . 1 461 . 48 GLN CA C 59.382 . 1 462 . 48 GLN HA H 4.146 . 1 463 . 48 GLN CB C 26.708 . 1 464 . 48 GLN HB2 H 2.074 . 1 465 . 48 GLN CG C 33.928 . 1 466 . 48 GLN HG2 H 2.429 . 1 467 . 49 SER N N 112.446 . 1 468 . 49 SER H H 8.529 . 1 469 . 49 SER CA C 60.300 . 1 470 . 49 SER HA H 4.180 . 1 471 . 49 SER CB C 62.400 . 1 472 . 49 SER HB2 H 3.960 . 1 473 . 50 PHE N N 122.300 . 1 474 . 50 PHE H H 8.250 . 1 475 . 50 PHE CA C 58.150 . 1 476 . 50 PHE HA H 4.374 . 1 477 . 50 PHE CB C 37.110 . 1 478 . 50 PHE HB3 H 3.001 . 2 479 . 50 PHE HB2 H 3.278 . 2 480 . 50 PHE CD1 C 131.525 . 1 481 . 50 PHE HD1 H 7.320 . 1 482 . 50 PHE CE1 C 132.372 . 1 483 . 50 PHE HE1 H 7.076 . 1 484 . 50 PHE CZ C 130.113 . 1 485 . 50 PHE HZ H 6.537 . 1 486 . 51 GLN N N 116.014 . 1 487 . 51 GLN H H 7.992 . 1 488 . 51 GLN CA C 56.803 . 1 489 . 51 GLN HA H 3.953 . 1 490 . 51 GLN CB C 26.743 . 1 491 . 51 GLN HB2 H 2.120 . 1 492 . 51 GLN CG C 34.134 . 1 493 . 51 GLN HG2 H 2.232 . 1 494 . 52 SER N N 113.397 . 1 495 . 52 SER H H 8.503 . 1 496 . 52 SER CA C 56.530 . 1 497 . 52 SER HA H 4.706 . 1 498 . 52 SER CB C 65.430 . 1 499 . 52 SER HB2 H 3.576 . 1 500 . 53 ALA N N 127.196 . 1 501 . 53 ALA H H 8.466 . 1 502 . 53 ALA CA C 50.824 . 1 503 . 53 ALA HA H 4.580 . 1 504 . 53 ALA CB C 18.780 . 1 505 . 53 ALA HB H 1.319 . 1 506 . 54 PRO CA C 63.000 . 1 507 . 54 PRO HA H 4.930 . 1 508 . 54 PRO CB C 32.800 . 1 509 . 54 PRO HB3 H 1.575 . 2 510 . 54 PRO HB2 H 2.184 . 2 511 . 54 PRO CG C 28.480 . 1 512 . 54 PRO HG3 H 1.940 . 2 513 . 54 PRO HG2 H 1.850 . 2 514 . 54 PRO CD C 51.140 . 1 515 . 54 PRO HD3 H 3.470 . 2 516 . 54 PRO HD2 H 3.754 . 2 517 . 55 ARG N N 120.059 . 1 518 . 55 ARG H H 8.450 . 1 519 . 55 ARG CA C 54.900 . 1 520 . 55 ARG HA H 4.538 . 1 521 . 55 ARG CB C 35.220 . 1 522 . 55 ARG HB2 H 1.606 . 1 523 . 55 ARG CG C 26.870 . 1 524 . 55 ARG HG3 H 1.340 . 2 525 . 55 ARG HG2 H 1.440 . 2 526 . 55 ARG CD C 43.580 . 1 527 . 55 ARG HD2 H 3.069 . 1 528 . 56 VAL N N 122.676 . 1 529 . 56 VAL H H 8.095 . 1 530 . 56 VAL CA C 61.389 . 1 531 . 56 VAL HA H 4.968 . 1 532 . 56 VAL CB C 33.070 . 1 533 . 56 VAL HB H 1.672 . 1 534 . 56 VAL CG1 C 21.240 . 1 535 . 56 VAL HG1 H 0.688 . 1 536 . 56 VAL CG2 C 22.298 . 1 537 . 56 VAL HG2 H 0.813 . 1 538 . 57 TYR N N 124.650 . 1 539 . 57 TYR H H 9.154 . 1 540 . 57 TYR CA C 57.340 . 1 541 . 57 TYR HA H 4.826 . 1 542 . 57 TYR CB C 45.200 . 1 543 . 57 TYR HB3 H 2.210 . 2 544 . 57 TYR HB2 H 2.935 . 2 545 . 57 TYR CD1 C 134.631 . 1 546 . 57 TYR HD1 H 6.975 . 1 547 . 57 TYR CE1 C 118.253 . 1 548 . 57 TYR HE1 H 6.650 . 1 549 . 58 ARG N N 121.248 . 1 550 . 58 ARG H H 8.668 . 1 551 . 58 ARG CA C 55.180 . 1 552 . 58 ARG HA H 4.962 . 1 553 . 58 ARG CB C 31.720 . 1 554 . 58 ARG HB2 H 1.641 . 1 555 . 58 ARG CG C 27.410 . 1 556 . 58 ARG HG2 H 1.363 . 1 557 . 58 ARG CD C 43.499 . 1 558 . 58 ARG HD2 H 3.070 . 1 559 . 59 VAL N N 126.244 . 1 560 . 59 VAL H H 9.082 . 1 561 . 59 VAL CA C 64.080 . 1 562 . 59 VAL HA H 3.791 . 1 563 . 59 VAL CB C 32.530 . 1 564 . 59 VAL HB H 2.363 . 1 565 . 59 VAL CG1 C 24.440 . 1 566 . 59 VAL HG1 H 0.825 . 1 567 . 59 VAL CG2 C 25.495 . 1 568 . 59 VAL HG2 H 0.872 . 1 569 . 60 ASN N N 124.341 . 1 570 . 60 ASN H H 9.377 . 1 571 . 60 ASN CA C 53.994 . 1 572 . 60 ASN HA H 4.851 . 1 573 . 60 ASN CB C 40.520 . 1 574 . 60 ASN HB3 H 2.456 . 2 575 . 60 ASN HB2 H 2.524 . 2 576 . 61 GLY N N 104.825 . 1 577 . 61 GLY H H 7.536 . 1 578 . 61 GLY CA C 45.540 . 1 579 . 61 GLY HA3 H 3.570 . 2 580 . 61 GLY HA2 H 4.300 . 2 581 . 62 LEU N N 122.200 . 1 582 . 62 LEU H H 9.292 . 1 583 . 62 LEU CA C 53.465 . 1 584 . 62 LEU HA H 5.035 . 1 585 . 62 LEU CB C 45.750 . 1 586 . 62 LEU HB3 H 1.382 . 2 587 . 62 LEU HB2 H 1.540 . 2 588 . 62 LEU CG C 27.316 . 1 589 . 62 LEU HG H 1.511 . 1 590 . 62 LEU CD1 C 24.939 . 1 591 . 62 LEU HD1 H 0.542 . 1 592 . 62 LEU CD2 C 24.100 . 1 593 . 62 LEU HD2 H 0.520 . 1 594 . 63 SER N N 117.680 . 1 595 . 63 SER H H 9.002 . 1 596 . 63 SER CA C 58.800 . 1 597 . 63 SER HA H 4.302 . 1 598 . 63 SER CB C 64.620 . 1 599 . 63 SER HB3 H 4.680 . 2 600 . 63 SER HB2 H 3.511 . 2 601 . 64 ARG N N 121.724 . 1 602 . 64 ARG H H 9.067 . 1 603 . 64 ARG CA C 59.230 . 1 604 . 64 ARG HA H 4.045 . 1 605 . 64 ARG CB C 30.325 . 1 606 . 64 ARG HB2 H 1.930 . 1 607 . 64 ARG CG C 27.581 . 1 608 . 64 ARG HG3 H 1.588 . 2 609 . 64 ARG HG2 H 1.706 . 2 610 . 64 ARG CD C 43.170 . 1 611 . 64 ARG HD2 H 3.195 . 1 612 . 65 ALA N N 121.724 . 1 613 . 65 ALA H H 9.052 . 1 614 . 65 ALA CA C 49.522 . 1 615 . 65 ALA HA H 4.822 . 1 616 . 65 ALA CB C 20.390 . 1 617 . 65 ALA HB H 1.207 . 1 618 . 66 PRO CA C 62.190 . 1 619 . 66 PRO HA H 3.440 . 1 620 . 66 PRO CB C 33.610 . 1 621 . 66 PRO HB3 H 2.025 . 2 622 . 66 PRO HB2 H 1.624 . 2 623 . 66 PRO CG C 28.210 . 1 624 . 66 PRO HG3 H 1.338 . 2 625 . 66 PRO HG2 H 1.840 . 2 626 . 66 PRO CD C 51.400 . 1 627 . 66 PRO HD3 H 3.233 . 2 628 . 66 PRO HD2 H 3.292 . 2 629 . 67 ALA N N 123.152 . 1 630 . 67 ALA H H 7.621 . 1 631 . 67 ALA CA C 56.200 . 1 632 . 67 ALA HA H 3.822 . 1 633 . 67 ALA CB C 18.780 . 1 634 . 67 ALA HB H 1.428 . 1 635 . 68 SER N N 106.260 . 1 636 . 68 SER H H 7.613 . 1 637 . 68 SER CA C 59.230 . 1 638 . 68 SER HA H 4.110 . 1 639 . 68 SER CB C 62.974 . 1 640 . 68 SER HB3 H 3.530 . 2 641 . 68 SER HB2 H 3.940 . 2 642 . 69 SER N N 114.825 . 1 643 . 69 SER H H 7.906 . 1 644 . 69 SER CA C 58.960 . 1 645 . 69 SER HA H 4.636 . 1 646 . 69 SER CB C 65.351 . 1 647 . 69 SER HB3 H 3.613 . 2 648 . 69 SER HB2 H 3.708 . 2 649 . 70 GLU N N 124.341 . 1 650 . 70 GLU H H 7.745 . 1 651 . 70 GLU CA C 57.073 . 1 652 . 70 GLU HA H 4.220 . 1 653 . 70 GLU CB C 31.180 . 1 654 . 70 GLU HB3 H 1.710 . 2 655 . 70 GLU HB2 H 1.853 . 2 656 . 70 GLU CG C 36.308 . 1 657 . 70 GLU HG3 H 2.004 . 2 658 . 70 GLU HG2 H 2.130 . 2 659 . 71 THR N N 114.111 . 1 660 . 71 THR H H 8.262 . 1 661 . 71 THR CA C 60.580 . 1 662 . 71 THR HA H 5.180 . 1 663 . 71 THR CB C 72.440 . 1 664 . 71 THR HB H 3.886 . 1 665 . 71 THR CG2 C 21.769 . 1 666 . 71 THR HG2 H 1.005 . 1 667 . 72 PHE N N 121.010 . 1 668 . 72 PHE H H 9.014 . 1 669 . 72 PHE CA C 55.990 . 1 670 . 72 PHE HA H 4.748 . 1 671 . 72 PHE CB C 41.430 . 1 672 . 72 PHE HB3 H 2.882 . 2 673 . 72 PHE HB2 H 2.970 . 2 674 . 72 PHE CD1 C 132.937 . 1 675 . 72 PHE HD1 H 6.907 . 1 676 . 72 PHE CE1 C 131.807 . 1 677 . 72 PHE HE1 H 6.699 . 1 678 . 72 PHE CZ C 129.831 . 1 679 . 72 PHE HZ H 6.037 . 1 680 . 73 GLU N N 121.248 . 1 681 . 73 GLU H H 8.137 . 1 682 . 73 GLU CA C 55.450 . 1 683 . 73 GLU HA H 4.680 . 1 684 . 73 GLU CB C 30.910 . 1 685 . 73 GLU HB3 H 1.650 . 2 686 . 73 GLU HB2 H 1.710 . 2 687 . 73 GLU CG C 37.110 . 1 688 . 73 GLU HG3 H 1.786 . 2 689 . 73 GLU HG2 H 1.890 . 2 690 . 74 HIS N N 124.817 . 1 691 . 74 HIS H H 8.777 . 1 692 . 74 HIS CA C 55.990 . 1 693 . 74 HIS HA H 4.534 . 1 694 . 74 HIS CB C 33.610 . 1 695 . 74 HIS HB3 H 2.409 . 2 696 . 74 HIS HB2 H 2.650 . 2 697 . 74 HIS CD2 C 120.230 . 1 698 . 74 HIS HD2 H 6.912 . 1 699 . 75 ASP N N 127.910 . 1 700 . 75 ASP H H 8.914 . 1 701 . 75 ASP CA C 55.180 . 1 702 . 75 ASP HA H 4.011 . 1 703 . 75 ASP CB C 39.700 . 1 704 . 75 ASP HB3 H 1.956 . 2 705 . 75 ASP HB2 H 2.704 . 2 706 . 76 GLY N N 102.691 . 1 707 . 76 GLY H H 8.498 . 1 708 . 76 GLY CA C 45.750 . 1 709 . 76 GLY HA3 H 3.514 . 2 710 . 76 GLY HA2 H 3.965 . 2 711 . 77 LYS N N 120.059 . 1 712 . 77 LYS H H 7.654 . 1 713 . 77 LYS CA C 54.370 . 1 714 . 77 LYS HA H 4.538 . 1 715 . 77 LYS CB C 35.490 . 1 716 . 77 LYS HB2 H 1.658 . 1 717 . 77 LYS CG C 24.710 . 1 718 . 77 LYS HG2 H 1.274 . 1 719 . 77 LYS CD C 29.228 . 1 720 . 77 LYS HD2 H 1.597 . 1 721 . 77 LYS CE C 42.240 . 1 722 . 77 LYS HE2 H 2.891 . 1 723 . 78 LYS N N 121.962 . 1 724 . 78 LYS H H 8.426 . 1 725 . 78 LYS CA C 56.263 . 1 726 . 78 LYS HA H 4.547 . 1 727 . 78 LYS CB C 32.803 . 1 728 . 78 LYS HB3 H 1.492 . 2 729 . 78 LYS HB2 H 1.678 . 2 730 . 78 LYS CG C 25.520 . 1 731 . 78 LYS HG3 H 1.336 . 2 732 . 78 LYS HG2 H 1.156 . 2 733 . 78 LYS CD C 29.297 . 1 734 . 78 LYS HD2 H 1.490 . 1 735 . 78 LYS CE C 41.971 . 1 736 . 78 LYS HE2 H 2.845 . 1 737 . 79 VAL N N 121.962 . 1 738 . 79 VAL H H 8.667 . 1 739 . 79 VAL CA C 59.499 . 1 740 . 79 VAL HA H 4.670 . 1 741 . 79 VAL CB C 35.499 . 1 742 . 79 VAL HB H 2.076 . 1 743 . 79 VAL CG2 C 20.128 . 1 744 . 79 VAL HG2 H 0.690 . 1 745 . 79 VAL CG1 C 22.016 . 1 746 . 79 VAL HG1 H 0.848 . 1 747 . 80 THR N N 111.256 . 1 748 . 80 THR H H 8.214 . 1 749 . 80 THR CA C 60.309 . 1 750 . 80 THR HA H 5.386 . 1 751 . 80 THR CB C 71.500 . 1 752 . 80 THR HB H 4.550 . 1 753 . 80 THR CG2 C 22.016 . 1 754 . 80 THR HG2 H 1.108 . 1 755 . 81 ILE N N 121.248 . 1 756 . 81 ILE H H 8.539 . 1 757 . 81 ILE CA C 64.559 . 1 758 . 81 ILE HA H 3.869 . 1 759 . 81 ILE CB C 36.570 . 1 760 . 81 ILE HB H 2.312 . 1 761 . 81 ILE CG1 C 27.844 . 1 762 . 81 ILE HG13 H 1.316 . 2 763 . 81 ILE HG12 H 1.507 . 2 764 . 81 ILE CD1 C 12.260 . 1 765 . 81 ILE HD1 H 0.630 . 1 766 . 81 ILE CG2 C 17.430 . 1 767 . 81 ILE HG2 H 1.015 . 1 768 . 82 ALA N N 117.204 . 1 769 . 82 ALA H H 7.731 . 1 770 . 82 ALA CA C 55.990 . 1 771 . 82 ALA HA H 4.180 . 1 772 . 82 ALA CB C 18.510 . 1 773 . 82 ALA HB H 1.347 . 1 774 . 83 SER N N 116.728 . 1 775 . 83 SER H H 8.461 . 1 776 . 83 SER CA C 61.920 . 1 777 . 83 SER HA H 4.280 . 1 778 . 83 SER CB C 63.005 . 1 779 . 83 SER HB3 H 3.905 . 2 780 . 83 SER HB2 H 4.004 . 2 781 . 84 TYR N N 125.293 . 1 782 . 84 TYR H H 8.980 . 1 783 . 84 TYR CA C 61.387 . 1 784 . 84 TYR HA H 4.125 . 1 785 . 84 TYR CB C 38.350 . 1 786 . 84 TYR HB3 H 3.110 . 2 787 . 84 TYR HB2 H 3.313 . 2 788 . 84 TYR CD1 C 134.066 . 1 789 . 84 TYR HD1 H 6.445 . 1 790 . 84 TYR CE1 C 118.530 . 1 791 . 84 TYR HE1 H 5.930 . 1 792 . 85 PHE N N 118.869 . 1 793 . 85 PHE H H 8.197 . 1 794 . 85 PHE CA C 65.088 . 1 795 . 85 PHE HA H 3.621 . 1 796 . 85 PHE CB C 37.656 . 1 797 . 85 PHE HB3 H 4.310 . 2 798 . 85 PHE HB2 H 2.866 . 2 799 . 85 PHE CD1 C 132.372 . 1 800 . 85 PHE HD1 H 7.679 . 1 801 . 85 PHE CE1 C 133.219 . 1 802 . 85 PHE HE1 H 7.149 . 1 803 . 85 PHE CZ C 130.960 . 1 804 . 85 PHE HZ H 7.482 . 1 805 . 86 HIS N N 119.821 . 1 806 . 86 HIS H H 8.120 . 1 807 . 86 HIS CA C 61.387 . 1 808 . 86 HIS HA H 3.652 . 1 809 . 86 HIS CB C 31.454 . 1 810 . 86 HIS HB2 H 3.284 . 2 811 . 86 HIS HD2 H 6.931 . 2 812 . 87 SER N N 116.252 . 1 813 . 87 SER H H 8.771 . 1 814 . 87 SER CA C 61.650 . 1 815 . 87 SER HA H 4.215 . 1 816 . 87 SER CB C 63.195 . 1 817 . 87 SER HB3 H 3.920 . 2 818 . 87 SER HB2 H 4.043 . 2 819 . 88 ARG N N 121.010 . 1 820 . 88 ARG H H 7.043 . 1 821 . 88 ARG CA C 55.724 . 1 822 . 88 ARG HA H 4.200 . 1 823 . 88 ARG CB C 29.028 . 1 824 . 88 ARG HB3 H 1.125 . 2 825 . 88 ARG HB2 H 1.830 . 2 826 . 88 ARG CG C 26.600 . 1 827 . 88 ARG HG3 H 0.824 . 2 828 . 88 ARG HG2 H 0.973 . 2 829 . 88 ARG CD C 42.780 . 1 830 . 88 ARG HD3 H 2.305 . 2 831 . 88 ARG HD2 H 1.795 . 2 832 . 89 ASN N N 111.732 . 1 833 . 89 ASN H H 7.908 . 1 834 . 89 ASN CA C 54.376 . 1 835 . 89 ASN HA H 4.320 . 1 836 . 89 ASN CB C 37.117 . 1 837 . 89 ASN HB3 H 2.836 . 2 838 . 89 ASN HB2 H 3.125 . 2 839 . 90 TYR N N 118.631 . 1 840 . 90 TYR H H 8.271 . 1 841 . 90 TYR CA C 57.073 . 1 842 . 90 TYR HA H 4.568 . 1 843 . 90 TYR CB C 39.540 . 1 844 . 90 TYR HB3 H 2.469 . 2 845 . 90 TYR HB2 H 3.259 . 2 846 . 90 TYR CD1 C 135.478 . 1 847 . 90 TYR HD1 H 7.163 . 1 848 . 90 TYR CE1 C 118.818 . 1 849 . 90 TYR HE1 H 6.633 . 1 850 . 91 PRO CA C 62.100 . 1 851 . 91 PRO HA H 4.152 . 1 852 . 91 PRO CB C 31.450 . 1 853 . 91 PRO HB3 H 1.552 . 2 854 . 91 PRO HB2 H 1.780 . 2 855 . 91 PRO CG C 27.940 . 1 856 . 91 PRO HG3 H 1.752 . 2 857 . 91 PRO HG2 H 1.481 . 2 858 . 91 PRO CD C 49.250 . 1 859 . 91 PRO HD3 H 3.171 . 2 860 . 91 PRO HD2 H 3.076 . 2 861 . 92 LEU N N 124.700 . 1 862 . 92 LEU H H 8.990 . 1 863 . 92 LEU CA C 54.910 . 1 864 . 92 LEU HA H 3.936 . 1 865 . 92 LEU CB C 40.350 . 1 866 . 92 LEU HB3 H 1.348 . 2 867 . 92 LEU HB2 H 1.321 . 2 868 . 92 LEU CG C 27.316 . 1 869 . 92 LEU HG H 1.845 . 1 870 . 92 LEU CD1 C 25.990 . 1 871 . 92 LEU HD1 H 0.678 . 1 872 . 92 LEU CD2 C 21.207 . 1 873 . 92 LEU HD2 H 0.410 . 1 874 . 93 LYS N N 127.430 . 1 875 . 93 LYS H H 11.613 . 1 876 . 93 LYS CA C 58.690 . 1 877 . 93 LYS HA H 3.640 . 1 878 . 93 LYS CB C 32.803 . 1 879 . 93 LYS HB3 H 1.231 . 2 880 . 93 LYS HB2 H 0.843 . 2 881 . 93 LYS CG C 25.522 . 1 882 . 93 LYS HG3 H 0.657 . 2 883 . 93 LYS HG2 H 1.016 . 2 884 . 93 LYS CD C 29.297 . 1 885 . 93 LYS HD2 H 1.343 . 1 886 . 93 LYS CE C 42.241 . 1 887 . 93 LYS HE2 H 2.751 . 1 888 . 94 PHE N N 115.301 . 1 889 . 94 PHE H H 8.990 . 1 890 . 94 PHE CA C 53.830 . 1 891 . 94 PHE HA H 5.334 . 1 892 . 94 PHE CB C 39.540 . 1 893 . 94 PHE HB3 H 3.023 . 2 894 . 94 PHE HB2 H 2.960 . 2 895 . 94 PHE CD1 C 133.219 . 1 896 . 94 PHE HD1 H 6.973 . 1 897 . 94 PHE CE1 C 131.243 . 1 898 . 94 PHE HE1 H 7.130 . 1 899 . 95 PRO CA C 65.430 . 1 900 . 95 PRO HA H 4.130 . 1 901 . 95 PRO CB C 32.530 . 1 902 . 95 PRO HB2 H 2.010 . 1 903 . 95 PRO CG C 27.140 . 1 904 . 95 PRO HG2 H 1.985 . 1 905 . 95 PRO CD C 50.500 . 1 906 . 95 PRO HD3 H 3.210 . 2 907 . 95 PRO HD2 H 3.700 . 2 908 . 96 GLN N N 116.966 . 1 909 . 96 GLN H H 8.695 . 1 910 . 96 GLN CA C 55.450 . 1 911 . 96 GLN HA H 4.490 . 1 912 . 96 GLN CB C 26.870 . 1 913 . 96 GLN HB3 H 2.040 . 2 914 . 96 GLN HB2 H 2.140 . 2 915 . 96 GLN CG C 33.880 . 1 916 . 96 GLN HG3 H 2.513 . 2 917 . 96 GLN HG2 H 2.412 . 2 918 . 97 LEU N N 121.010 . 1 919 . 97 LEU H H 7.337 . 1 920 . 97 LEU CA C 54.522 . 1 921 . 97 LEU HA H 4.924 . 1 922 . 97 LEU CB C 42.780 . 1 923 . 97 LEU HB3 H 1.706 . 2 924 . 97 LEU HB2 H 2.050 . 2 925 . 97 LEU CG C 27.316 . 1 926 . 97 LEU HG H 1.802 . 1 927 . 97 LEU CD1 C 23.618 . 2 928 . 97 LEU HD1 H 0.760 . 2 929 . 97 LEU CD2 C 23.409 . 2 930 . 97 LEU HD2 H 0.800 . 2 931 . 98 HIS N N 123.628 . 1 932 . 98 HIS H H 7.485 . 1 933 . 98 HIS CA C 59.490 . 1 934 . 98 HIS HA H 4.210 . 1 935 . 98 HIS CB C 31.700 . 1 936 . 98 HIS HB3 H 2.433 . 2 937 . 98 HIS HB2 H 3.171 . 2 938 . 98 HIS HD2 H 6.824 . 1 939 . 98 HIS CE1 C 139.996 . 1 940 . 98 HIS HE1 H 7.799 . 1 941 . 99 CYS N N 116.252 . 1 942 . 99 CYS H H 8.471 . 1 943 . 99 CYS CA C 58.420 . 1 944 . 99 CYS HA H 4.650 . 1 945 . 99 CYS CB C 31.278 . 1 946 . 99 CYS HB3 H 2.310 . 2 947 . 99 CYS HB2 H 2.749 . 2 948 . 100 LEU N N 118.040 . 1 949 . 100 LEU H H 8.840 . 1 950 . 100 LEU CA C 54.786 . 1 951 . 100 LEU HA H 4.528 . 1 952 . 100 LEU CB C 42.636 . 1 953 . 100 LEU HB3 H 1.126 . 2 954 . 100 LEU HB2 H 1.663 . 2 955 . 100 LEU CG C 24.980 . 1 956 . 100 LEU HG H 1.289 . 1 957 . 100 LEU CD1 C 27.052 . 2 958 . 100 LEU HD1 H 0.920 . 2 959 . 100 LEU CD2 C 23.354 . 2 960 . 100 LEU HD2 H 0.690 . 2 961 . 101 ASN N N 121.486 . 1 962 . 101 ASN H H 8.772 . 1 963 . 101 ASN CA C 52.145 . 1 964 . 101 ASN HA H 5.170 . 1 965 . 101 ASN CB C 39.000 . 1 966 . 101 ASN HB3 H 1.901 . 2 967 . 101 ASN HB2 H 2.523 . 2 968 . 102 VAL N N 119.583 . 1 969 . 102 VAL H H 8.967 . 1 970 . 102 VAL CA C 59.769 . 1 971 . 102 VAL HA H 4.949 . 1 972 . 102 VAL CB C 33.340 . 1 973 . 102 VAL HB H 2.210 . 1 974 . 102 VAL CG2 C 18.864 . 1 975 . 102 VAL HG2 H -0.080 . 1 976 . 102 VAL CG1 C 21.241 . 1 977 . 102 VAL HG1 H 0.480 . 1 978 . 103 GLY N N 108.639 . 1 979 . 103 GLY H H 8.293 . 1 980 . 103 GLY CA C 44.707 . 1 981 . 103 GLY HA3 H 4.118 . 2 982 . 103 GLY HA2 H 4.282 . 2 983 . 104 SER N N 116.490 . 1 984 . 104 SER H H 8.317 . 1 985 . 104 SER CA C 57.070 . 1 986 . 104 SER HA H 4.677 . 1 987 . 104 SER CB C 65.880 . 1 988 . 104 SER HB3 H 3.795 . 2 989 . 104 SER HB2 H 4.123 . 2 990 . 105 SER CA C 60.570 . 1 991 . 105 SER HA H 4.130 . 1 992 . 105 SER CB C 62.900 . 1 993 . 105 SER HB2 H 3.850 . 1 994 . 106 ILE N N 116.728 . 1 995 . 106 ILE H H 7.617 . 1 996 . 106 ILE CA C 62.180 . 1 997 . 106 ILE HA H 4.140 . 1 998 . 106 ILE CB C 39.202 . 1 999 . 106 ILE HB H 1.800 . 1 1000 . 106 ILE CG1 C 27.670 . 1 1001 . 106 ILE HG13 H 1.084 . 1 1002 . 106 ILE HG12 H 1.290 . 1 1003 . 106 ILE CD1 C 13.380 . 1 1004 . 106 ILE HD1 H 0.770 . 1 1005 . 106 ILE CG2 C 17.900 . 1 1006 . 106 ILE HG2 H 0.820 . 1 1007 . 107 LYS N N 122.676 . 1 1008 . 107 LYS H H 7.425 . 1 1009 . 107 LYS CA C 55.720 . 1 1010 . 107 LYS HA H 4.427 . 1 1011 . 107 LYS CB C 33.612 . 1 1012 . 107 LYS HB3 H 1.581 . 2 1013 . 107 LYS HB2 H 1.739 . 2 1014 . 107 LYS CG C 24.982 . 1 1015 . 107 LYS HG3 H 1.232 . 2 1016 . 107 LYS HG2 H 1.295 . 2 1017 . 107 LYS CD C 29.297 . 1 1018 . 107 LYS HD2 H 1.620 . 1 1019 . 107 LYS CE C 42.240 . 1 1020 . 107 LYS HE2 H 2.880 . 1 1021 . 108 SER N N 121.486 . 1 1022 . 108 SER H H 8.447 . 1 1023 . 108 SER CA C 58.690 . 1 1024 . 108 SER HA H 4.580 . 1 1025 . 108 SER CB C 63.950 . 1 1026 . 108 SER HB2 H 3.637 . 1 1027 . 109 ILE N N 122.914 . 1 1028 . 109 ILE H H 7.913 . 1 1029 . 109 ILE CA C 61.380 . 1 1030 . 109 ILE HA H 3.990 . 1 1031 . 109 ILE CB C 40.520 . 1 1032 . 109 ILE HB H 1.300 . 1 1033 . 109 ILE CG1 C 27.050 . 1 1034 . 109 ILE HG13 H 0.793 . 1 1035 . 109 ILE HG12 H 1.261 . 1 1036 . 109 ILE CD1 C 17.160 . 1 1037 . 109 ILE HD1 H 0.338 . 1 1038 . 109 ILE CG2 C 14.190 . 1 1039 . 109 ILE HG2 H 0.676 . 1 1040 . 110 LEU N N 124.817 . 1 1041 . 110 LEU H H 8.110 . 1 1042 . 110 LEU CA C 52.930 . 1 1043 . 110 LEU HA H 5.196 . 1 1044 . 110 LEU CB C 43.580 . 1 1045 . 110 LEU HB3 H 0.790 . 2 1046 . 110 LEU HB2 H 1.673 . 2 1047 . 110 LEU CG C 27.140 . 1 1048 . 110 LEU HG H 1.525 . 1 1049 . 110 LEU CD2 C 24.170 . 1 1050 . 110 LEU HD2 H 0.630 . 1 1051 . 110 LEU CD1 C 26.600 . 1 1052 . 110 LEU HD1 H 0.777 . 1 1053 . 111 LEU N N 117.918 . 1 1054 . 111 LEU H H 8.693 . 1 1055 . 111 LEU CA C 50.559 . 1 1056 . 111 LEU HA H 4.780 . 1 1057 . 111 LEU CB C 44.930 . 1 1058 . 111 LEU HB3 H 0.602 . 2 1059 . 111 LEU HB2 H 1.190 . 2 1060 . 111 LEU CG C 25.730 . 1 1061 . 111 LEU HG H 0.950 . 1 1062 . 111 LEU CD1 C 27.840 . 1 1063 . 111 LEU HD1 H 0.160 . 1 1064 . 111 LEU CD2 C 20.660 . 1 1065 . 111 LEU HD2 H -0.343 . 1 1066 . 112 PRO CA C 62.460 . 1 1067 . 112 PRO HA H 4.800 . 1 1068 . 112 PRO CB C 32.500 . 1 1069 . 112 PRO HB3 H 1.553 . 2 1070 . 112 PRO HB2 H 2.100 . 2 1071 . 112 PRO CG C 28.900 . 1 1072 . 112 PRO HG2 H 1.300 . 1 1073 . 112 PRO CD C 51.410 . 1 1074 . 112 PRO HD3 H 3.300 . 2 1075 . 112 PRO HD2 H 3.782 . 2 1076 . 113 ILE N N 128.386 . 1 1077 . 113 ILE H H 9.900 . 1 1078 . 113 ILE CA C 66.780 . 1 1079 . 113 ILE HA H 3.290 . 1 1080 . 113 ILE CB C 38.670 . 1 1081 . 113 ILE HB H 1.703 . 1 1082 . 113 ILE CG1 C 31.990 . 1 1083 . 113 ILE HG13 H 0.771 . 1 1084 . 113 ILE HG12 H 1.930 . 1 1085 . 113 ILE CD1 C 14.460 . 1 1086 . 113 ILE HD1 H 0.760 . 1 1087 . 113 ILE CG2 C 18.240 . 1 1088 . 113 ILE HG2 H 0.733 . 1 1089 . 114 GLU N N 114.349 . 1 1090 . 114 GLU H H 9.212 . 1 1091 . 114 GLU CA C 57.612 . 1 1092 . 114 GLU HA H 4.530 . 1 1093 . 114 GLU CB C 30.370 . 1 1094 . 114 GLU HB3 H 2.505 . 2 1095 . 114 GLU HB2 H 2.187 . 2 1096 . 114 GLU CG C 36.840 . 1 1097 . 114 GLU HG3 H 1.890 . 2 1098 . 114 GLU HG2 H 2.038 . 2 1099 . 115 LEU N N 120.059 . 1 1100 . 115 LEU H H 7.135 . 1 1101 . 115 LEU CA C 54.522 . 1 1102 . 115 LEU HA H 4.753 . 1 1103 . 115 LEU CB C 42.510 . 1 1104 . 115 LEU HB3 H 1.555 . 2 1105 . 115 LEU HB2 H 2.031 . 2 1106 . 115 LEU HG H 1.231 . 1 1107 . 115 LEU CD1 C 27.844 . 1 1108 . 115 LEU HD1 H 0.589 . 1 1109 . 115 LEU CD2 C 22.033 . 1 1110 . 115 LEU HD2 H 0.592 . 1 1111 . 116 CYS N N 115.538 . 1 1112 . 116 CYS H H 7.786 . 1 1113 . 116 CYS CA C 58.150 . 1 1114 . 116 CYS HA H 5.875 . 1 1115 . 116 CYS CB C 31.180 . 1 1116 . 116 CYS HB3 H 2.270 . 2 1117 . 116 CYS HB2 H 2.934 . 2 1118 . 117 SER N N 116.966 . 1 1119 . 117 SER H H 9.129 . 1 1120 . 117 SER CA C 57.340 . 1 1121 . 117 SER HA H 4.975 . 1 1122 . 117 SER CB C 66.510 . 1 1123 . 117 SER HB3 H 3.398 . 2 1124 . 117 SER HB2 H 3.588 . 2 1125 . 118 ILE N N 120.297 . 1 1126 . 118 ILE H H 9.075 . 1 1127 . 118 ILE CA C 59.805 . 1 1128 . 118 ILE HA H 4.439 . 1 1129 . 118 ILE CB C 40.523 . 1 1130 . 118 ILE HB H 1.562 . 1 1131 . 118 ILE CG1 C 28.480 . 1 1132 . 118 ILE HG13 H 0.863 . 2 1133 . 118 ILE HG12 H 1.212 . 2 1134 . 118 ILE CD1 C 13.581 . 1 1135 . 118 ILE HD1 H 0.215 . 1 1136 . 118 ILE CG2 C 17.015 . 1 1137 . 118 ILE HG2 H 0.584 . 1 1138 . 119 GLU N N 127.400 . 1 1139 . 119 GLU H H 8.616 . 1 1140 . 119 GLU CA C 56.803 . 1 1141 . 119 GLU HA H 4.184 . 1 1142 . 119 GLU CB C 31.180 . 1 1143 . 119 GLU HB3 H 1.612 . 2 1144 . 119 GLU HB2 H 1.915 . 2 1145 . 119 GLU CG C 36.840 . 1 1146 . 119 GLU HG2 H 2.070 . 1 1147 . 120 GLU N N 123.560 . 1 1148 . 120 GLU H H 8.587 . 1 1149 . 120 GLU CA C 57.880 . 1 1150 . 120 GLU HA H 4.052 . 1 1151 . 120 GLU CB C 30.640 . 1 1152 . 120 GLU HB2 H 1.932 . 1 1153 . 120 GLU CG C 36.570 . 1 1154 . 120 GLU HG2 H 2.162 . 1 1155 . 121 GLY N N 109.115 . 1 1156 . 121 GLY H H 8.628 . 1 1157 . 121 GLY CA C 46.134 . 1 1158 . 121 GLY HA3 H 3.735 . 2 1159 . 121 GLY HA2 H 3.950 . 2 1160 . 122 GLN N N 118.869 . 1 1161 . 122 GLN H H 7.920 . 1 1162 . 122 GLN CA C 56.260 . 1 1163 . 122 GLN HA H 4.193 . 1 1164 . 122 GLN CB C 29.326 . 1 1165 . 122 GLN HB3 H 1.950 . 2 1166 . 122 GLN HB2 H 2.045 . 2 1167 . 122 GLN CG C 34.420 . 1 1168 . 122 GLN HG3 H 2.286 . 2 1169 . 122 GLN HG2 H 2.200 . 2 1170 . 123 ALA N N 123.152 . 1 1171 . 123 ALA H H 8.219 . 1 1172 . 123 ALA CA C 53.201 . 1 1173 . 123 ALA HA H 4.070 . 1 1174 . 123 ALA CB C 19.050 . 1 1175 . 123 ALA HB H 1.265 . 1 1176 . 124 LEU N N 118.869 . 1 1177 . 124 LEU H H 7.953 . 1 1178 . 124 LEU CA C 55.578 . 1 1179 . 124 LEU HA H 4.159 . 1 1180 . 124 LEU CB C 42.108 . 1 1181 . 124 LEU HB3 H 1.382 . 2 1182 . 124 LEU HB2 H 1.527 . 2 1183 . 124 LEU CG C 27.316 . 1 1184 . 124 LEU HG H 1.509 . 1 1185 . 124 LEU CD1 C 25.731 . 2 1186 . 124 LEU HD1 H 0.773 . 2 1187 . 124 LEU CD2 C 23.354 . 2 1188 . 124 LEU HD2 H 0.722 . 2 1189 . 125 ASN N N 117.680 . 1 1190 . 125 ASN H H 8.134 . 1 1191 . 125 ASN CA C 53.201 . 1 1192 . 125 ASN HA H 4.640 . 1 1193 . 125 ASN CB C 38.410 . 1 1194 . 125 ASN HB3 H 2.632 . 2 1195 . 125 ASN HB2 H 2.793 . 2 1196 . 126 ARG N N 120.297 . 1 1197 . 126 ARG H H 7.984 . 1 1198 . 126 ARG CA C 56.454 . 1 1199 . 126 ARG HA H 4.271 . 1 1200 . 126 ARG CB C 30.799 . 1 1201 . 126 ARG HB2 H 1.527 . 1 1202 . 126 ARG CG C 27.361 . 1 1203 . 126 ARG HG3 H 1.616 . 2 1204 . 126 ARG HG2 H 1.816 . 2 1205 . 126 ARG CD C 43.280 . 1 1206 . 126 ARG HD2 H 3.069 . 1 1207 . 127 LYS N N 121.870 . 1 1208 . 127 LYS H H 8.338 . 1 1209 . 127 LYS CA C 56.673 . 1 1210 . 127 LYS HA H 4.223 . 1 1211 . 127 LYS CB C 32.631 . 1 1212 . 127 LYS HB3 H 1.691 . 2 1213 . 127 LYS HB2 H 1.742 . 2 1214 . 127 LYS CG C 24.836 . 1 1215 . 127 LYS HG2 H 1.550 . 1 1216 . 127 LYS CD C 29.118 . 1 1217 . 127 LYS HD2 H 1.338 . 1 1218 . 127 LYS CE C 42.182 . 1 1219 . 127 LYS HE2 H 2.892 . 1 1220 . 128 ASP N N 120.450 . 1 1221 . 128 ASP H H 8.332 . 1 1222 . 128 ASP CA C 54.786 . 1 1223 . 128 ASP HA H 4.529 . 1 1224 . 128 ASP CB C 41.315 . 1 1225 . 128 ASP HB2 H 2.610 . 1 1226 . 129 GLY N N 109.030 . 1 1227 . 129 GLY H H 8.298 . 1 1228 . 129 GLY CA C 45.600 . 1 1229 . 129 GLY HA2 H 3.870 . 1 1230 . 130 ALA N N 123.152 . 1 1231 . 130 ALA H H 8.132 . 1 1232 . 130 ALA CA C 52.937 . 1 1233 . 130 ALA HA H 4.285 . 1 1234 . 130 ALA CB C 19.392 . 1 1235 . 130 ALA HB H 1.329 . 1 1236 . 131 THR N N 112.921 . 1 1237 . 131 THR H H 8.046 . 1 1238 . 131 THR CA C 62.604 . 1 1239 . 131 THR HA H 4.180 . 1 1240 . 131 THR CB C 69.550 . 1 1241 . 131 THR HB H 4.130 . 1 1242 . 131 THR CG2 C 21.762 . 1 1243 . 131 THR HG2 H 1.120 . 1 1244 . 132 GLN N N 122.200 . 1 1245 . 132 GLN H H 8.235 . 1 1246 . 132 GLN CA C 56.234 . 1 1247 . 132 GLN HA H 4.314 . 1 1248 . 132 GLN CB C 29.295 . 1 1249 . 132 GLN HB2 H 2.020 . 1 1250 . 132 GLN CG C 34.058 . 1 1251 . 132 GLN HG2 H 2.273 . 1 1252 . 133 VAL N N 120.920 . 1 1253 . 133 VAL H H 8.062 . 1 1254 . 133 VAL CA C 62.974 . 1 1255 . 133 VAL HA H 3.961 . 1 1256 . 133 VAL CB C 32.599 . 1 1257 . 133 VAL HB H 1.989 . 1 1258 . 133 VAL CG1 C 21.505 . 1 1259 . 133 VAL HG1 H 0.838 . 1 1260 . 134 ALA N N 125.769 . 1 1261 . 134 ALA H H 8.278 . 1 1262 . 134 ALA CA C 52.937 . 1 1263 . 134 ALA HA H 4.180 . 1 1264 . 134 ALA CB C 19.340 . 1 1265 . 134 ALA HB H 1.311 . 1 1266 . 135 ASN N N 116.728 . 1 1267 . 135 ASN H H 8.232 . 1 1268 . 135 ASN CA C 53.465 . 1 1269 . 135 ASN HA H 4.529 . 1 1270 . 135 ASN CB C 38.674 . 1 1271 . 135 ASN HB2 H 2.723 . 1 1272 . 136 MET N N 119.821 . 1 1273 . 136 MET H H 8.100 . 1 1274 . 136 MET CA C 56.000 . 1 1275 . 136 MET HA H 4.341 . 1 1276 . 136 MET CB C 32.731 . 1 1277 . 136 MET HB3 H 1.970 . 2 1278 . 136 MET HB2 H 2.399 . 2 1279 . 136 MET CG C 31.972 . 1 1280 . 136 MET HG2 H 2.551 . 1 1281 . 137 ILE N N 121.486 . 1 1282 . 137 ILE H H 7.971 . 1 1283 . 137 ILE CA C 61.654 . 1 1284 . 137 ILE HA H 3.920 . 1 1285 . 137 ILE CB C 38.670 . 1 1286 . 137 ILE HB H 1.705 . 1 1287 . 137 ILE CG1 C 27.844 . 1 1288 . 137 ILE HG13 H 1.040 . 2 1289 . 137 ILE HG12 H 1.376 . 2 1290 . 137 ILE CD1 C 13.053 . 1 1291 . 137 ILE HD1 H 0.724 . 1 1292 . 137 ILE CG2 C 17.543 . 1 1293 . 137 ILE HG2 H 0.670 . 1 1294 . 138 LYS N N 124.103 . 1 1295 . 138 LYS H H 8.081 . 1 1296 . 138 LYS CA C 56.133 . 1 1297 . 138 LYS HA H 4.158 . 1 1298 . 138 LYS CB C 32.806 . 1 1299 . 138 LYS HB2 H 1.932 . 1 1300 . 138 LYS CG C 25.056 . 1 1301 . 138 LYS HG2 H 1.578 . 1 1302 . 138 LYS CD C 29.008 . 1 1303 . 138 LYS HD3 H 1.123 . 2 1304 . 138 LYS HD2 H 1.224 . 2 1305 . 138 LYS CE C 42.292 . 1 1306 . 138 LYS HE2 H 2.867 . 1 1307 . 139 TYR N N 120.772 . 1 1308 . 139 TYR H H 8.080 . 1 1309 . 139 TYR CA C 57.950 . 1 1310 . 139 TYR HA H 4.445 . 1 1311 . 139 TYR CB C 38.862 . 1 1312 . 139 TYR HB3 H 2.810 . 2 1313 . 139 TYR HB2 H 2.980 . 2 1314 . 139 TYR HD1 H 7.033 . 1 1315 . 139 TYR CE1 C 117.919 . 1 1316 . 139 TYR HE1 H 6.719 . 1 1317 . 140 ALA N N 125.200 . 1 1318 . 140 ALA H H 8.040 . 1 1319 . 140 ALA CA C 52.145 . 1 1320 . 140 ALA HA H 4.214 . 1 1321 . 140 ALA CB C 19.656 . 1 1322 . 140 ALA HB H 1.265 . 1 1323 . 141 ALA N N 123.152 . 1 1324 . 141 ALA H H 8.166 . 1 1325 . 141 ALA CA C 52.409 . 1 1326 . 141 ALA HA H 4.285 . 1 1327 . 141 ALA CB C 19.656 . 1 1328 . 141 ALA HB H 1.315 . 1 1329 . 142 THR N N 112.208 . 1 1330 . 142 THR H H 8.071 . 1 1331 . 142 THR CA C 61.524 . 1 1332 . 142 THR HA H 4.300 . 1 1333 . 142 THR CB C 69.900 . 1 1334 . 142 THR HB H 4.240 . 1 1335 . 142 THR CG2 C 21.543 . 1 1336 . 142 THR HG2 H 1.125 . 1 1337 . 143 SER N N 122.914 . 1 1338 . 143 SER H H 7.896 . 1 1339 . 143 SER CA C 59.971 . 1 1340 . 143 SER HA H 4.199 . 1 1341 . 143 SER CB C 64.710 . 1 stop_ save_