data_19621 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignments for the cyclic-nucleotide binding homology domain of the KCNH channel from Zebrafish ; _BMRB_accession_number 19621 _BMRB_flat_file_name bmr19621.str _Entry_type original _Submission_date 2013-11-19 _Accession_date 2013-11-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Qingxin . . 2 Ng 'Hui Qi' . . 3 Kang Congbao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 683 "13C chemical shifts" 554 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-11 original author . stop_ _Original_release_date 2014-02-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N chemical shift assignments for the cyclic-nucleotide binding homology domain of a KCNH channel.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24414223 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Qingxin . . 2 Ng 'Hui Qi' . . 3 Kang Congbao . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . loop_ _Keyword assignment 'cyclic-nucleotide binding homology domain' KCNH NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CNBHD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CNBHD $CNBHD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CNBHD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CNBHD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; MNKELLQLPLFESASRGCLR SLSLIIKTSFCAPGEFLIRQ GDALQAIYFVCSGSMEVLKD NTVLAILGKGDLIGSDSLTK EQVIKTNANVKALTYCDLQY ISLKGLREVLRLYPEYAQKF VSEIQHDLTYNLREGLEHHH HHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 LYS 4 GLU 5 LEU 6 LEU 7 GLN 8 LEU 9 PRO 10 LEU 11 PHE 12 GLU 13 SER 14 ALA 15 SER 16 ARG 17 GLY 18 CYS 19 LEU 20 ARG 21 SER 22 LEU 23 SER 24 LEU 25 ILE 26 ILE 27 LYS 28 THR 29 SER 30 PHE 31 CYS 32 ALA 33 PRO 34 GLY 35 GLU 36 PHE 37 LEU 38 ILE 39 ARG 40 GLN 41 GLY 42 ASP 43 ALA 44 LEU 45 GLN 46 ALA 47 ILE 48 TYR 49 PHE 50 VAL 51 CYS 52 SER 53 GLY 54 SER 55 MET 56 GLU 57 VAL 58 LEU 59 LYS 60 ASP 61 ASN 62 THR 63 VAL 64 LEU 65 ALA 66 ILE 67 LEU 68 GLY 69 LYS 70 GLY 71 ASP 72 LEU 73 ILE 74 GLY 75 SER 76 ASP 77 SER 78 LEU 79 THR 80 LYS 81 GLU 82 GLN 83 VAL 84 ILE 85 LYS 86 THR 87 ASN 88 ALA 89 ASN 90 VAL 91 LYS 92 ALA 93 LEU 94 THR 95 TYR 96 CYS 97 ASP 98 LEU 99 GLN 100 TYR 101 ILE 102 SER 103 LEU 104 LYS 105 GLY 106 LEU 107 ARG 108 GLU 109 VAL 110 LEU 111 ARG 112 LEU 113 TYR 114 PRO 115 GLU 116 TYR 117 ALA 118 GLN 119 LYS 120 PHE 121 VAL 122 SER 123 GLU 124 ILE 125 GLN 126 HIS 127 ASP 128 LEU 129 THR 130 TYR 131 ASN 132 LEU 133 ARG 134 GLU 135 GLY 136 LEU 137 GLU 138 HIS 139 HIS 140 HIS 141 HIS 142 HIS 143 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2MHF "Solution Structure Of The Cyclic-nucleotide Binding Homology Domain Of A Kcnh Channel" 100.00 143 100.00 100.00 3.08e-99 PDB 3UKN "Structure Of The C-LinkerCNBHD OF ZELK CHANNELS IN C 2 2 21 SPACE Group" 94.41 212 99.26 100.00 2.10e-90 PDB 3UKT "Structure Of The C-LinkerCNBHD OF ZELK CHANNELS IN P1 21 1 SPACE Group" 94.41 212 99.26 100.00 2.10e-90 PDB 3UKV "Structure Of The C-LinkerCNBHD OF ZELK CHANNELS IN P 1 21 1 SPACE Group, Crystallized In The Presence Of Camp" 94.41 212 99.26 100.00 2.10e-90 REF XP_001919436 "PREDICTED: potassium voltage-gated channel subfamily H member 3 [Danio rerio]" 94.41 1192 99.26 100.00 1.58e-84 REF XP_005475215 "PREDICTED: potassium voltage-gated channel subfamily H member 8-like [Oreochromis niloticus]" 94.41 1206 98.52 100.00 1.22e-83 REF XP_005933423 "PREDICTED: potassium voltage-gated channel subfamily H member 8-like [Haplochromis burtoni]" 94.41 1208 98.52 100.00 5.07e-84 REF XP_006636461 "PREDICTED: potassium voltage-gated channel subfamily H member 3-like [Lepisosteus oculatus]" 94.41 1163 97.04 99.26 4.08e-83 REF XP_006805904 "PREDICTED: potassium voltage-gated channel subfamily H member 8-like [Neolamprologus brichardi]" 94.41 1207 98.52 100.00 4.11e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CNBHD zebrafish 7955 Eukaryota Metazoa Danio rerio 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 _Details $CNBHD 'recombinant technology' . Escherichia coli BL21DE3 pET29b 'the cDNA of this domain was cloned into the Nde I and Xho sites of pET29b.' 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 $CNBHD . mM 0.2 0.8 '[U-100% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CNBHD . mM 0.3 0.8 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' stop_ save_ save_sample_3-D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CNBHD 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3-D2O save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3-D2O save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3DCCONH_12 _Saveframe_category NMR_applied_experiment _Experiment_name 3DCCONH _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl carbon' ppm 0 internal direct . . . 0.251449530 DSS H 1 'methyl carbon' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl carbon' ppm 0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CNBHD _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 2 ASN HD21 H 7.105 0.1 . 2 2 2 ASN ND2 N 113.216 0.2 . 3 4 4 GLU HA H 4.303 0.1 . 4 4 4 GLU HB2 H 2.147 0.1 . 5 4 4 GLU HB3 H 1.771 0.1 . 6 4 4 GLU HG2 H 2.263 0.1 . 7 4 4 GLU HG3 H 2.263 0.1 . 8 4 4 GLU C C 176.580 0.3 . 9 4 4 GLU CA C 56.778 0.3 . 10 4 4 GLU CB C 31.913 0.3 . 11 4 4 GLU CG C 36.844 0.3 . 12 5 5 LEU H H 8.070 0.1 . 13 5 5 LEU HA H 3.696 0.1 . 14 5 5 LEU HB2 H 2.589 0.1 . 15 5 5 LEU HB3 H 1.251 0.1 . 16 5 5 LEU HG H 1.253 0.1 . 17 5 5 LEU HD1 H 0.805 0.1 . 18 5 5 LEU HD2 H 0.571 0.1 . 19 5 5 LEU C C 177.000 0.3 . 20 5 5 LEU CA C 58.517 0.3 . 21 5 5 LEU CB C 42.330 0.3 . 22 5 5 LEU CD1 C 24.412 0.3 . 23 5 5 LEU CD2 C 26.124 0.3 . 24 5 5 LEU N N 125.203 0.2 . 25 6 6 LEU H H 7.701 0.1 . 26 6 6 LEU HA H 3.694 0.1 . 27 6 6 LEU HB2 H 1.416 0.1 . 28 6 6 LEU HB3 H 1.248 0.1 . 29 6 6 LEU HG H 1.667 0.1 . 30 6 6 LEU HD1 H 1.279 0.1 . 31 6 6 LEU HD2 H 0.833 0.1 . 32 6 6 LEU C C 176.872 0.3 . 33 6 6 LEU CA C 55.549 0.3 . 34 6 6 LEU CB C 40.018 0.3 . 35 6 6 LEU CG C 25.282 0.3 . 36 6 6 LEU CD1 C 23.641 0.3 . 37 6 6 LEU CD2 C 21.727 0.3 . 38 6 6 LEU N N 110.615 0.2 . 39 7 7 GLN H H 7.390 0.1 . 40 7 7 GLN HA H 4.316 0.1 . 41 7 7 GLN HB2 H 2.282 0.1 . 42 7 7 GLN HB3 H 2.060 0.1 . 43 7 7 GLN HG2 H 2.401 0.1 . 44 7 7 GLN HG3 H 2.396 0.1 . 45 7 7 GLN C C 176.681 0.3 . 46 7 7 GLN CA C 55.488 0.3 . 47 7 7 GLN CB C 28.725 0.3 . 48 7 7 GLN CG C 34.704 0.3 . 49 7 7 GLN N N 115.382 0.2 . 50 8 8 LEU H H 7.682 0.1 . 51 8 8 LEU HA H 4.535 0.1 . 52 8 8 LEU HB2 H 2.576 0.1 . 53 8 8 LEU C C 176.854 0.3 . 54 8 8 LEU CA C 54.273 0.3 . 55 8 8 LEU CB C 41.663 0.3 . 56 8 8 LEU CG C 27.196 0.3 . 57 8 8 LEU N N 120.914 0.2 . 58 9 9 PRO HA H 4.354 0.1 . 59 9 9 PRO HB2 H 2.384 0.1 . 60 9 9 PRO HB3 H 2.056 0.1 . 61 9 9 PRO C C 177.634 0.3 . 62 9 9 PRO CA C 65.422 0.3 . 63 9 9 PRO CB C 31.707 0.3 . 64 10 10 LEU H H 7.506 0.1 . 65 10 10 LEU HA H 3.891 0.1 . 66 10 10 LEU HB2 H 1.504 0.1 . 67 10 10 LEU HB3 H 0.852 0.1 . 68 10 10 LEU HD1 H 0.627 0.1 . 69 10 10 LEU HD2 H 0.324 0.1 . 70 10 10 LEU C C 178.353 0.3 . 71 10 10 LEU CA C 57.214 0.3 . 72 10 10 LEU CB C 43.078 0.3 . 73 10 10 LEU CD1 C 26.370 0.3 . 74 10 10 LEU CD2 C 23.354 0.3 . 75 10 10 LEU N N 117.264 0.2 . 76 11 11 PHE H H 7.735 0.1 . 77 11 11 PHE HA H 4.618 0.1 . 78 11 11 PHE HB2 H 3.283 0.1 . 79 11 11 PHE HB3 H 2.787 0.1 . 80 11 11 PHE HD1 H 7.155 0.1 . 81 11 11 PHE HE1 H 6.774 0.1 . 82 11 11 PHE C C 176.144 0.3 . 83 11 11 PHE CA C 58.208 0.3 . 84 11 11 PHE CB C 39.560 0.3 . 85 11 11 PHE CE1 C 133.251 0.3 . 86 11 11 PHE N N 116.788 0.2 . 87 12 12 GLU H H 8.094 0.1 . 88 12 12 GLU HA H 4.062 0.1 . 89 12 12 GLU HB2 H 2.248 0.1 . 90 12 12 GLU HB3 H 2.070 0.1 . 91 12 12 GLU HG2 H 2.401 0.1 . 92 12 12 GLU HG3 H 2.396 0.1 . 93 12 12 GLU C C 177.483 0.3 . 94 12 12 GLU CA C 59.541 0.3 . 95 12 12 GLU CB C 29.744 0.3 . 96 12 12 GLU CG C 36.609 0.3 . 97 12 12 GLU N N 121.527 0.2 . 98 13 13 SER H H 8.288 0.1 . 99 13 13 SER HA H 4.457 0.1 . 100 13 13 SER HB2 H 4.123 0.1 . 101 13 13 SER HB3 H 4.053 0.1 . 102 13 13 SER C C 174.487 0.3 . 103 13 13 SER CA C 58.759 0.3 . 104 13 13 SER CB C 63.595 0.3 . 105 13 13 SER N N 110.968 0.2 . 106 14 14 ALA H H 7.342 0.1 . 107 14 14 ALA HA H 3.703 0.1 . 108 14 14 ALA HB H 0.777 0.1 . 109 14 14 ALA C C 176.656 0.3 . 110 14 14 ALA CA C 52.452 0.3 . 111 14 14 ALA CB C 18.186 0.3 . 112 14 14 ALA N N 126.334 0.2 . 113 15 15 SER H H 8.233 0.1 . 114 15 15 SER HA H 4.350 0.1 . 115 15 15 SER HB2 H 4.131 0.1 . 116 15 15 SER HB3 H 4.131 0.1 . 117 15 15 SER C C 174.322 0.3 . 118 15 15 SER CA C 57.151 0.3 . 119 15 15 SER CB C 65.235 0.3 . 120 15 15 SER N N 116.759 0.2 . 121 16 16 ARG H H 8.965 0.1 . 122 16 16 ARG HA H 3.906 0.1 . 123 16 16 ARG HB2 H 1.859 0.1 . 124 16 16 ARG HB3 H 1.641 0.1 . 125 16 16 ARG HG2 H 1.655 0.1 . 126 16 16 ARG HG3 H 1.755 0.1 . 127 16 16 ARG HD2 H 3.234 0.1 . 128 16 16 ARG HD3 H 3.198 0.1 . 129 16 16 ARG C C 179.658 0.3 . 130 16 16 ARG CA C 59.818 0.3 . 131 16 16 ARG CB C 29.575 0.3 . 132 16 16 ARG CG C 27.317 0.3 . 133 16 16 ARG CD C 43.337 0.3 . 134 16 16 ARG N N 120.754 0.2 . 135 17 17 GLY H H 8.802 0.1 . 136 17 17 GLY HA2 H 3.864 0.1 . 137 17 17 GLY HA3 H 3.801 0.1 . 138 17 17 GLY C C 175.244 0.3 . 139 17 17 GLY CA C 46.842 0.3 . 140 17 17 GLY N N 107.160 0.2 . 141 18 18 CYS H H 7.094 0.1 . 142 18 18 CYS HA H 3.093 0.1 . 143 18 18 CYS HB2 H 2.430 0.1 . 144 18 18 CYS HB3 H 1.488 0.1 . 145 18 18 CYS C C 175.970 0.3 . 146 18 18 CYS CA C 61.848 0.3 . 147 18 18 CYS CB C 26.137 0.3 . 148 18 18 CYS N N 125.013 0.2 . 149 19 19 LEU H H 8.376 0.1 . 150 19 19 LEU HA H 3.750 0.1 . 151 19 19 LEU HB2 H 1.663 0.1 . 152 19 19 LEU HB3 H 1.414 0.1 . 153 19 19 LEU HG H 1.972 0.1 . 154 19 19 LEU HD2 H 0.784 0.1 . 155 19 19 LEU C C 179.536 0.3 . 156 19 19 LEU CA C 58.077 0.3 . 157 19 19 LEU CB C 41.392 0.3 . 158 19 19 LEU CG C 27.318 0.3 . 159 19 19 LEU CD1 C 25.450 0.3 . 160 19 19 LEU CD2 C 23.557 0.3 . 161 19 19 LEU N N 118.338 0.2 . 162 20 20 ARG H H 8.124 0.1 . 163 20 20 ARG HA H 4.151 0.1 . 164 20 20 ARG HB2 H 1.941 0.1 . 165 20 20 ARG HB3 H 2.404 0.1 . 166 20 20 ARG HG2 H 1.809 0.1 . 167 20 20 ARG HG3 H 1.614 0.1 . 168 20 20 ARG HD2 H 3.122 0.1 . 169 20 20 ARG HD3 H 3.192 0.1 . 170 20 20 ARG C C 179.236 0.3 . 171 20 20 ARG CA C 59.392 0.3 . 172 20 20 ARG CB C 29.386 0.3 . 173 20 20 ARG CG C 27.628 0.3 . 174 20 20 ARG CD C 43.252 0.3 . 175 20 20 ARG N N 120.028 0.2 . 176 21 21 SER H H 7.998 0.1 . 177 21 21 SER HA H 4.139 0.1 . 178 21 21 SER HB2 H 3.930 0.1 . 179 21 21 SER CA C 63.276 0.3 . 180 21 21 SER N N 116.595 0.2 . 181 22 22 LEU H H 8.487 0.1 . 182 22 22 LEU HA H 3.913 0.1 . 183 22 22 LEU HB2 H 1.849 0.1 . 184 22 22 LEU HB3 H 0.956 0.1 . 185 22 22 LEU HG H 1.833 0.1 . 186 22 22 LEU HD1 H 0.573 0.1 . 187 22 22 LEU HD2 H 0.651 0.1 . 188 22 22 LEU C C 178.383 0.3 . 189 22 22 LEU CA C 57.413 0.3 . 190 22 22 LEU CB C 42.455 0.3 . 191 22 22 LEU CG C 26.991 0.3 . 192 22 22 LEU CD1 C 23.326 0.3 . 193 22 22 LEU N N 121.268 0.2 . 194 23 23 SER H H 8.407 0.1 . 195 23 23 SER HA H 3.922 0.1 . 196 23 23 SER HB2 H 3.911 0.1 . 197 23 23 SER HB3 H 3.911 0.1 . 198 23 23 SER C C 176.353 0.3 . 199 23 23 SER CA C 61.851 0.3 . 200 23 23 SER CB C 62.683 0.3 . 201 23 23 SER N N 114.082 0.2 . 202 24 24 LEU H H 7.220 0.1 . 203 24 24 LEU HA H 4.189 0.1 . 204 24 24 LEU HB2 H 1.869 0.1 . 205 24 24 LEU HB3 H 1.460 0.1 . 206 24 24 LEU HG H 1.599 0.1 . 207 24 24 LEU HD1 H 1.143 0.1 . 208 24 24 LEU HD2 H 0.905 0.1 . 209 24 24 LEU C C 178.702 0.3 . 210 24 24 LEU CA C 56.628 0.3 . 211 24 24 LEU CB C 42.853 0.3 . 212 24 24 LEU CG C 26.721 0.3 . 213 24 24 LEU CD1 C 25.508 0.3 . 214 24 24 LEU CD2 C 22.765 0.3 . 215 24 24 LEU N N 118.200 0.2 . 216 25 25 ILE H H 7.418 0.1 . 217 25 25 ILE HA H 4.594 0.1 . 218 25 25 ILE HB H 2.266 0.1 . 219 25 25 ILE HG12 H 0.995 0.1 . 220 25 25 ILE HG13 H 1.388 0.1 . 221 25 25 ILE HG2 H 0.808 0.1 . 222 25 25 ILE HD1 H 0.664 0.1 . 223 25 25 ILE C C 174.977 0.3 . 224 25 25 ILE CA C 61.110 0.3 . 225 25 25 ILE CB C 38.478 0.3 . 226 25 25 ILE CG1 C 26.231 0.3 . 227 25 25 ILE CG2 C 18.081 0.3 . 228 25 25 ILE CD1 C 15.239 0.3 . 229 25 25 ILE N N 109.934 0.2 . 230 26 26 ILE H H 6.909 0.1 . 231 26 26 ILE HA H 4.090 0.1 . 232 26 26 ILE HB H 1.634 0.1 . 233 26 26 ILE HG12 H 1.803 0.1 . 234 26 26 ILE HG13 H 1.803 0.1 . 235 26 26 ILE HG2 H 0.795 0.1 . 236 26 26 ILE HD1 H 0.585 0.1 . 237 26 26 ILE C C 175.523 0.3 . 238 26 26 ILE CA C 62.288 0.3 . 239 26 26 ILE CB C 38.139 0.3 . 240 26 26 ILE CG1 C 28.770 0.3 . 241 26 26 ILE CG2 C 17.598 0.3 . 242 26 26 ILE CD1 C 14.471 0.3 . 243 26 26 ILE N N 122.923 0.2 . 244 27 27 LYS H H 8.634 0.1 . 245 27 27 LYS HA H 4.641 0.1 . 246 27 27 LYS HB2 H 1.451 0.1 . 247 27 27 LYS HG2 H 1.301 0.1 . 248 27 27 LYS HG3 H 1.301 0.1 . 249 27 27 LYS HD2 H 1.635 0.1 . 250 27 27 LYS HD3 H 1.635 0.1 . 251 27 27 LYS C C 174.969 0.3 . 252 27 27 LYS CA C 53.525 0.3 . 253 27 27 LYS CB C 34.590 0.3 . 254 27 27 LYS CG C 24.898 0.3 . 255 27 27 LYS CD C 28.718 0.3 . 256 27 27 LYS CE C 42.812 0.3 . 257 27 27 LYS N N 129.885 0.2 . 258 28 28 THR H H 8.182 0.1 . 259 28 28 THR HA H 5.379 0.1 . 260 28 28 THR HB H 4.305 0.1 . 261 28 28 THR HG2 H 1.314 0.1 . 262 28 28 THR C C 174.631 0.3 . 263 28 28 THR CA C 60.328 0.3 . 264 28 28 THR CB C 71.537 0.3 . 265 28 28 THR N N 111.168 0.2 . 266 29 29 SER H H 8.893 0.1 . 267 29 29 SER HA H 4.828 0.1 . 268 29 29 SER HB2 H 4.061 0.1 . 269 29 29 SER HB3 H 3.818 0.1 . 270 29 29 SER C C 172.410 0.3 . 271 29 29 SER CA C 57.145 0.3 . 272 29 29 SER CB C 65.627 0.3 . 273 29 29 SER N N 117.509 0.2 . 274 30 30 PHE H H 8.435 0.1 . 275 30 30 PHE HA H 5.717 0.1 . 276 30 30 PHE HB2 H 3.280 0.1 . 277 30 30 PHE HB3 H 2.996 0.1 . 278 30 30 PHE HD1 H 7.224 0.1 . 279 30 30 PHE HE1 H 7.420 0.1 . 280 30 30 PHE C C 174.960 0.3 . 281 30 30 PHE CA C 55.988 0.3 . 282 30 30 PHE CB C 41.960 0.3 . 283 30 30 PHE CD1 C 132.574 0.3 . 284 30 30 PHE N N 119.651 0.2 . 285 31 31 CYS H H 8.600 0.1 . 286 31 31 CYS HA H 4.640 0.1 . 287 31 31 CYS HB2 H 2.693 0.1 . 288 31 31 CYS HB3 H 2.306 0.1 . 289 31 31 CYS C C 172.061 0.3 . 290 31 31 CYS CA C 57.988 0.3 . 291 31 31 CYS CB C 31.477 0.3 . 292 31 31 CYS N N 120.005 0.2 . 293 32 32 ALA H H 8.794 0.1 . 294 32 32 ALA HA H 4.469 0.1 . 295 32 32 ALA HB H 1.437 0.1 . 296 32 32 ALA C C 173.586 0.3 . 297 32 32 ALA CA C 50.016 0.3 . 298 32 32 ALA CB C 17.952 0.3 . 299 32 32 ALA N N 128.430 0.2 . 300 33 33 PRO HA H 3.430 0.1 . 301 33 33 PRO HB2 H 1.834 0.1 . 302 33 33 PRO HB3 H 1.958 0.1 . 303 33 33 PRO HG2 H 2.281 0.1 . 304 33 33 PRO HD2 H 3.443 0.1 . 305 33 33 PRO HD3 H 2.976 0.1 . 306 33 33 PRO C C 177.836 0.3 . 307 33 33 PRO CA C 64.054 0.3 . 308 33 33 PRO CB C 31.129 0.3 . 309 33 33 PRO CG C 28.045 0.3 . 310 33 33 PRO CD C 49.197 0.3 . 311 34 34 GLY H H 8.421 0.1 . 312 34 34 GLY HA2 H 4.264 0.1 . 313 34 34 GLY HA3 H 3.429 0.1 . 314 34 34 GLY C C 173.323 0.3 . 315 34 34 GLY CA C 45.228 0.3 . 316 34 34 GLY N N 112.487 0.2 . 317 35 35 GLU H H 7.944 0.1 . 318 35 35 GLU HA H 4.290 0.1 . 319 35 35 GLU HB2 H 2.083 0.1 . 320 35 35 GLU HB3 H 2.083 0.1 . 321 35 35 GLU HG2 H 2.333 0.1 . 322 35 35 GLU C C 176.063 0.3 . 323 35 35 GLU CA C 56.121 0.3 . 324 35 35 GLU CB C 31.111 0.3 . 325 35 35 GLU CG C 37.153 0.3 . 326 35 35 GLU N N 120.247 0.2 . 327 36 36 PHE H H 9.079 0.1 . 328 36 36 PHE HA H 4.646 0.1 . 329 36 36 PHE HB2 H 2.888 0.1 . 330 36 36 PHE HB3 H 2.487 0.1 . 331 36 36 PHE HD1 H 7.342 0.1 . 332 36 36 PHE HE1 H 7.18 0.1 . 333 36 36 PHE HZ H 6.757 0.1 . 334 36 36 PHE C C 175.989 0.3 . 335 36 36 PHE CA C 58.121 0.3 . 336 36 36 PHE CB C 38.720 0.3 . 337 36 36 PHE N N 120.921 0.2 . 338 37 37 LEU H H 8.555 0.1 . 339 37 37 LEU HA H 4.129 0.1 . 340 37 37 LEU HB2 H 1.276 0.1 . 341 37 37 LEU HB3 H 1.148 0.1 . 342 37 37 LEU HG H 0.942 0.1 . 343 37 37 LEU HD1 H 0.557 0.1 . 344 37 37 LEU HD2 H 0.013 0.1 . 345 37 37 LEU C C 175.871 0.3 . 346 37 37 LEU CA C 58.138 0.3 . 347 37 37 LEU CB C 44.078 0.3 . 348 37 37 LEU CG C 26.833 0.3 . 349 37 37 LEU CD1 C 25.048 0.3 . 350 37 37 LEU CD2 C 23.048 0.3 . 351 37 37 LEU N N 127.774 0.2 . 352 38 38 ILE H H 7.521 0.1 . 353 38 38 ILE HA H 4.314 0.1 . 354 38 38 ILE HB H 1.542 0.1 . 355 38 38 ILE HG12 H 1.110 0.1 . 356 38 38 ILE HG13 H 1.110 0.1 . 357 38 38 ILE HG2 H 1.125 0.1 . 358 38 38 ILE HD1 H 0.739 0.1 . 359 38 38 ILE C C 174.715 0.3 . 360 38 38 ILE CA C 58.995 0.3 . 361 38 38 ILE CB C 43.048 0.3 . 362 38 38 ILE CG1 C 27.053 0.3 . 363 38 38 ILE CG2 C 18.552 0.3 . 364 38 38 ILE CD1 C 13.828 0.3 . 365 38 38 ILE N N 114.597 0.2 . 366 39 39 ARG H H 8.855 0.1 . 367 39 39 ARG HA H 5.168 0.1 . 368 39 39 ARG HB2 H 1.779 0.1 . 369 39 39 ARG HB3 H 1.578 0.1 . 370 39 39 ARG HG2 H 1.203 0.1 . 371 39 39 ARG HG3 H 1.200 0.1 . 372 39 39 ARG HD2 H 2.913 0.1 . 373 39 39 ARG CA C 53.560 0.3 . 374 39 39 ARG CB C 30.952 0.3 . 375 39 39 ARG CG C 27.642 0.3 . 376 39 39 ARG CD C 43.201 0.3 . 377 39 39 ARG N N 126.481 0.2 . 378 40 40 GLN H H 7.951 0.1 . 379 40 40 GLN HA H 3.530 0.1 . 380 40 40 GLN HB2 H 1.917 0.1 . 381 40 40 GLN HB3 H 1.900 0.1 . 382 40 40 GLN HG2 H 2.176 0.1 . 383 40 40 GLN HG3 H 2.100 0.1 . 384 40 40 GLN HE21 H 7.249 0.1 . 385 40 40 GLN HE22 H 6.975 0.1 . 386 40 40 GLN C C 176.162 0.3 . 387 40 40 GLN CA C 57.316 0.3 . 388 40 40 GLN CB C 29.065 0.3 . 389 40 40 GLN CG C 32.856 0.3 . 390 40 40 GLN N N 124.665 0.2 . 391 40 40 GLN NE2 N 110.288 0.2 . 392 41 41 GLY H H 8.530 0.1 . 393 41 41 GLY HA2 H 4.387 0.1 . 394 41 41 GLY HA3 H 3.565 0.1 . 395 41 41 GLY C C 173.698 0.3 . 396 41 41 GLY CA C 45.190 0.3 . 397 41 41 GLY N N 117.924 0.2 . 398 42 42 ASP H H 7.715 0.1 . 399 42 42 ASP HA H 4.684 0.1 . 400 42 42 ASP HB2 H 2.876 0.1 . 401 42 42 ASP HB3 H 2.731 0.1 . 402 42 42 ASP C C 175.631 0.3 . 403 42 42 ASP CA C 53.812 0.3 . 404 42 42 ASP CB C 41.576 0.3 . 405 42 42 ASP N N 121.980 0.2 . 406 43 43 ALA H H 8.517 0.1 . 407 43 43 ALA HA H 4.698 0.1 . 408 43 43 ALA HB H 1.318 0.1 . 409 43 43 ALA C C 178.427 0.3 . 410 43 43 ALA CA C 51.548 0.3 . 411 43 43 ALA CB C 18.524 0.3 . 412 43 43 ALA N N 121.344 0.2 . 413 44 44 LEU H H 9.244 0.1 . 414 44 44 LEU HA H 4.354 0.1 . 415 44 44 LEU HB2 H 1.942 0.1 . 416 44 44 LEU HB3 H 1.252 0.1 . 417 44 44 LEU HG H 1.683 0.1 . 418 44 44 LEU HD1 H 0.934 0.1 . 419 44 44 LEU HD2 H 0.824 0.1 . 420 44 44 LEU C C 177.334 0.3 . 421 44 44 LEU CA C 55.291 0.3 . 422 44 44 LEU CB C 42.672 0.3 . 423 44 44 LEU CG C 26.587 0.3 . 424 44 44 LEU CD1 C 25.353 0.3 . 425 44 44 LEU CD2 C 22.518 0.3 . 426 44 44 LEU N N 127.152 0.2 . 427 45 45 GLN H H 9.818 0.1 . 428 45 45 GLN HA H 4.682 0.1 . 429 45 45 GLN HB2 H 2.486 0.1 . 430 45 45 GLN HB3 H 1.940 0.1 . 431 45 45 GLN HG2 H 2.518 0.1 . 432 45 45 GLN HE21 H 7.427 0.1 . 433 45 45 GLN HE22 H 7.006 0.1 . 434 45 45 GLN C C 176.853 0.3 . 435 45 45 GLN CA C 55.503 0.3 . 436 45 45 GLN CB C 30.599 0.3 . 437 45 45 GLN CG C 33.628 0.3 . 438 45 45 GLN N N 122.713 0.2 . 439 45 45 GLN NE2 N 113.064 0.2 . 440 46 46 ALA H H 7.528 0.1 . 441 46 46 ALA HA H 4.881 0.1 . 442 46 46 ALA HB H 0.820 0.1 . 443 46 46 ALA C C 173.896 0.3 . 444 46 46 ALA CA C 51.909 0.3 . 445 46 46 ALA CB C 22.362 0.3 . 446 46 46 ALA N N 122.029 0.2 . 447 47 47 ILE H H 7.629 0.1 . 448 47 47 ILE HA H 4.916 0.1 . 449 47 47 ILE HB H 1.921 0.1 . 450 47 47 ILE HG12 H 1.046 0.1 . 451 47 47 ILE HG13 H 0.905 0.1 . 452 47 47 ILE HG2 H 0.636 0.1 . 453 47 47 ILE HD1 H 0.832 0.1 . 454 47 47 ILE C C 174.510 0.3 . 455 47 47 ILE CA C 60.029 0.3 . 456 47 47 ILE CB C 39.902 0.3 . 457 47 47 ILE CG1 C 27.471 0.3 . 458 47 47 ILE CG2 C 18.379 0.3 . 459 47 47 ILE CD1 C 13.492 0.3 . 460 47 47 ILE N N 109.369 0.2 . 461 48 48 TYR H H 8.789 0.1 . 462 48 48 TYR HA H 5.344 0.1 . 463 48 48 TYR HB2 H 2.740 0.1 . 464 48 48 TYR HB3 H 2.700 0.1 . 465 48 48 TYR HD1 H 6.775 0.1 . 466 48 48 TYR HE1 H 6.414 0.1 . 467 48 48 TYR C C 173.243 0.3 . 468 48 48 TYR CA C 57.343 0.3 . 469 48 48 TYR CB C 42.628 0.3 . 470 48 48 TYR CD1 C 131.8 0.3 . 471 48 48 TYR CE1 C 118.525 0.3 . 472 48 48 TYR N N 118.942 0.2 . 473 49 49 PHE H H 9.905 0.1 . 474 49 49 PHE HA H 5.645 0.1 . 475 49 49 PHE HB2 H 2.959 0.1 . 476 49 49 PHE HD1 H 7.224 0.1 . 477 49 49 PHE HE1 H 7.397 0.1 . 478 49 49 PHE C C 174.118 0.3 . 479 49 49 PHE CA C 55.627 0.3 . 480 49 49 PHE CB C 44.785 0.3 . 481 49 49 PHE CD1 C 132.540 0.3 . 482 49 49 PHE CE1 C 132.947 0.3 . 483 49 49 PHE N N 123.669 0.2 . 484 50 50 VAL H H 8.043 0.1 . 485 50 50 VAL HA H 3.876 0.1 . 486 50 50 VAL HB H 2.047 0.1 . 487 50 50 VAL HG1 H 0.380 0.1 . 488 50 50 VAL HG2 H 0.604 0.1 . 489 50 50 VAL C C 174.491 0.3 . 490 50 50 VAL CA C 62.633 0.3 . 491 50 50 VAL CB C 30.717 0.3 . 492 50 50 VAL CG1 C 22.084 0.3 . 493 50 50 VAL CG2 C 20.412 0.3 . 494 50 50 VAL N N 127.243 0.2 . 495 51 51 CYS H H 8.882 0.1 . 496 51 51 CYS HA H 4.331 0.1 . 497 51 51 CYS HB2 H 3.240 0.1 . 498 51 51 CYS HB3 H 2.759 0.1 . 499 51 51 CYS C C 175.463 0.3 . 500 51 51 CYS CA C 60.953 0.3 . 501 51 51 CYS CB C 27.766 0.3 . 502 51 51 CYS N N 127.540 0.2 . 503 52 52 SER H H 8.038 0.1 . 504 52 52 SER HA H 4.343 0.1 . 505 52 52 SER HB2 H 4.005 0.1 . 506 52 52 SER C C 171.809 0.3 . 507 52 52 SER CA C 58.066 0.3 . 508 52 52 SER CB C 64.738 0.3 . 509 52 52 SER N N 111.039 0.2 . 510 53 53 GLY H H 8.405 0.1 . 511 53 53 GLY HA2 H 5.076 0.1 . 512 53 53 GLY HA3 H 3.693 0.1 . 513 53 53 GLY C C 172.296 0.3 . 514 53 53 GLY CA C 44.621 0.3 . 515 53 53 GLY N N 108.841 0.2 . 516 54 54 SER H H 7.266 0.1 . 517 54 54 SER HA H 5.466 0.1 . 518 54 54 SER HB2 H 3.623 0.1 . 519 54 54 SER HB3 H 3.719 0.1 . 520 54 54 SER C C 174.003 0.3 . 521 54 54 SER CA C 56.450 0.3 . 522 54 54 SER CB C 66.238 0.3 . 523 54 54 SER N N 110.976 0.2 . 524 55 55 MET H H 8.699 0.1 . 525 55 55 MET HA H 5.054 0.1 . 526 55 55 MET HB2 H 1.853 0.1 . 527 55 55 MET HB3 H 1.429 0.1 . 528 55 55 MET HG2 H 2.106 0.1 . 529 55 55 MET HG3 H 2.510 0.1 . 530 55 55 MET C C 172.854 0.3 . 531 55 55 MET CA C 54.232 0.3 . 532 55 55 MET CB C 37.548 0.3 . 533 55 55 MET CG C 33.045 0.3 . 534 55 55 MET N N 120.330 0.2 . 535 56 56 GLU H H 9.292 0.1 . 536 56 56 GLU HA H 5.030 0.1 . 537 56 56 GLU HB2 H 1.880 0.1 . 538 56 56 GLU HB3 H 1.880 0.1 . 539 56 56 GLU HG2 H 2.317 0.1 . 540 56 56 GLU HG3 H 2.228 0.1 . 541 56 56 GLU C C 174.258 0.3 . 542 56 56 GLU CA C 54.232 0.3 . 543 56 56 GLU CB C 33.221 0.3 . 544 56 56 GLU CG C 36.255 0.3 . 545 56 56 GLU N N 119.255 0.2 . 546 57 57 VAL H H 8.473 0.1 . 547 57 57 VAL HA H 4.711 0.1 . 548 57 57 VAL HB H 1.487 0.1 . 549 57 57 VAL HG1 H 0.294 0.1 . 550 57 57 VAL HG2 H 0.045 0.1 . 551 57 57 VAL C C 175.417 0.3 . 552 57 57 VAL CA C 61.298 0.3 . 553 57 57 VAL CB C 31.499 0.3 . 554 57 57 VAL CG1 C 21.077 0.3 . 555 57 57 VAL CG2 C 20.748 0.3 . 556 57 57 VAL N N 123.723 0.2 . 557 58 58 LEU H H 8.951 0.1 . 558 58 58 LEU HA H 5.275 0.1 . 559 58 58 LEU HB2 H 1.431 0.1 . 560 58 58 LEU HB3 H 1.480 0.1 . 561 58 58 LEU HG H 1.394 0.1 . 562 58 58 LEU HD1 H 0.824 0.1 . 563 58 58 LEU C C 175.478 0.3 . 564 58 58 LEU CA C 54.200 0.3 . 565 58 58 LEU CB C 47.410 0.3 . 566 58 58 LEU CG C 26.803 0.3 . 567 58 58 LEU CD1 C 26.192 0.3 . 568 58 58 LEU CD2 C 21.396 0.3 . 569 58 58 LEU N N 128.367 0.2 . 570 59 59 LYS H H 8.708 0.1 . 571 59 59 LYS HA H 4.708 0.1 . 572 59 59 LYS HB2 H 1.751 0.1 . 573 59 59 LYS HB3 H 1.606 0.1 . 574 59 59 LYS HG2 H 1.358 0.1 . 575 59 59 LYS HG3 H 1.358 0.1 . 576 59 59 LYS HD2 H 1.341 0.1 . 577 59 59 LYS HD3 H 1.340 0.1 . 578 59 59 LYS HE2 H 2.975 0.1 . 579 59 59 LYS HE3 H 3.057 0.1 . 580 59 59 LYS C C 176.008 0.3 . 581 59 59 LYS CA C 55.634 0.3 . 582 59 59 LYS CB C 35.573 0.3 . 583 59 59 LYS CG C 25.198 0.3 . 584 59 59 LYS CD C 29.881 0.3 . 585 59 59 LYS CE C 42.347 0.3 . 586 59 59 LYS N N 125.874 0.2 . 587 60 60 ASP H H 9.735 0.1 . 588 60 60 ASP HA H 4.208 0.1 . 589 60 60 ASP HB2 H 2.874 0.1 . 590 60 60 ASP HB3 H 2.810 0.1 . 591 60 60 ASP C C 175.107 0.3 . 592 60 60 ASP CA C 56.684 0.3 . 593 60 60 ASP CB C 39.195 0.3 . 594 60 60 ASP N N 128.992 0.2 . 595 61 61 ASN H H 8.800 0.1 . 596 61 61 ASN HA H 4.455 0.1 . 597 61 61 ASN HB2 H 3.026 0.1 . 598 61 61 ASN HB3 H 2.858 0.1 . 599 61 61 ASN HD21 H 7.622 0.1 . 600 61 61 ASN HD22 H 6.930 0.1 . 601 61 61 ASN C C 174.352 0.3 . 602 61 61 ASN CA C 54.087 0.3 . 603 61 61 ASN CB C 38.604 0.3 . 604 61 61 ASN CG C 178.282 0.3 . 605 61 61 ASN N N 115.136 0.2 . 606 61 61 ASN ND2 N 113.528 0.2 . 607 62 62 THR H H 8.301 0.1 . 608 62 62 THR HA H 4.444 0.1 . 609 62 62 THR HB H 4.198 0.1 . 610 62 62 THR HG2 H 1.178 0.1 . 611 62 62 THR C C 172.943 0.3 . 612 62 62 THR CA C 62.169 0.3 . 613 62 62 THR CB C 70.736 0.3 . 614 62 62 THR CG2 C 21.647 0.3 . 615 62 62 THR N N 117.812 0.2 . 616 63 63 VAL H H 8.800 0.1 . 617 63 63 VAL HA H 4.173 0.1 . 618 63 63 VAL HB H 2.027 0.1 . 619 63 63 VAL HG1 H 0.862 0.1 . 620 63 63 VAL HG2 H 0.934 0.1 . 621 63 63 VAL C C 176.445 0.3 . 622 63 63 VAL CA C 63.212 0.3 . 623 63 63 VAL CB C 31.552 0.3 . 624 63 63 VAL CG1 C 21.878 0.3 . 625 63 63 VAL CG2 C 21.730 0.3 . 626 63 63 VAL N N 127.605 0.2 . 627 64 64 LEU H H 9.257 0.1 . 628 64 64 LEU HA H 4.441 0.1 . 629 64 64 LEU HB2 H 1.526 0.1 . 630 64 64 LEU HB3 H 1.312 0.1 . 631 64 64 LEU HG H 0.919 0.1 . 632 64 64 LEU HD1 H 0.849 0.1 . 633 64 64 LEU C C 177.172 0.3 . 634 64 64 LEU CA C 55.291 0.3 . 635 64 64 LEU CB C 43.089 0.3 . 636 64 64 LEU CG C 26.871 0.3 . 637 64 64 LEU CD1 C 23.062 0.3 . 638 64 64 LEU N N 128.974 0.2 . 639 65 65 ALA H H 7.440 0.1 . 640 65 65 ALA HA H 4.465 0.1 . 641 65 65 ALA HB H 1.155 0.1 . 642 65 65 ALA C C 174.095 0.3 . 643 65 65 ALA CA C 51.842 0.3 . 644 65 65 ALA CB C 21.137 0.3 . 645 65 65 ALA N N 117.765 0.2 . 646 66 66 ILE H H 8.342 0.1 . 647 66 66 ILE HA H 4.825 0.1 . 648 66 66 ILE HB H 1.786 0.1 . 649 66 66 ILE HG12 H 1.451 0.1 . 650 66 66 ILE HG13 H 1.140 0.1 . 651 66 66 ILE HD1 H 0.839 0.1 . 652 66 66 ILE C C 175.772 0.3 . 653 66 66 ILE CA C 59.430 0.3 . 654 66 66 ILE CB C 38.570 0.3 . 655 66 66 ILE CG1 C 27.260 0.3 . 656 66 66 ILE CG2 C 17.369 0.3 . 657 66 66 ILE CD1 C 12.464 0.3 . 658 66 66 ILE N N 120.593 0.2 . 659 67 67 LEU H H 9.191 0.1 . 660 67 67 LEU HA H 4.902 0.1 . 661 67 67 LEU HB2 H 1.429 0.1 . 662 67 67 LEU HB3 H 1.400 0.1 . 663 67 67 LEU HG H 1.400 0.1 . 664 67 67 LEU HD1 H 0.643 0.1 . 665 67 67 LEU C C 176.764 0.3 . 666 67 67 LEU CA C 52.397 0.3 . 667 67 67 LEU CB C 44.410 0.3 . 668 67 67 LEU CG C 27.306 0.3 . 669 67 67 LEU CD1 C 22.961 0.3 . 670 67 67 LEU N N 126.810 0.2 . 671 68 68 GLY H H 9.539 0.1 . 672 68 68 GLY HA2 H 4.887 0.1 . 673 68 68 GLY HA3 H 3.708 0.1 . 674 68 68 GLY C C 171.842 0.3 . 675 68 68 GLY CA C 44.499 0.3 . 676 68 68 GLY N N 111.409 0.2 . 677 69 69 LYS H H 8.064 0.1 . 678 69 69 LYS HA H 3.587 0.1 . 679 69 69 LYS HB2 H 1.716 0.1 . 680 69 69 LYS HB3 H 1.810 0.1 . 681 69 69 LYS HG2 H 1.305 0.1 . 682 69 69 LYS HD2 H 1.517 0.1 . 683 69 69 LYS HE2 H 3.136 0.1 . 684 69 69 LYS C C 177.550 0.3 . 685 69 69 LYS CA C 57.448 0.3 . 686 69 69 LYS CB C 32.610 0.3 . 687 69 69 LYS CG C 23.972 0.3 . 688 69 69 LYS CD C 30.081 0.3 . 689 69 69 LYS CE C 42.423 0.3 . 690 69 69 LYS N N 117.996 0.2 . 691 70 70 GLY H H 9.078 0.1 . 692 70 70 GLY HA2 H 4.378 0.1 . 693 70 70 GLY HA3 H 3.578 0.1 . 694 70 70 GLY C C 173.218 0.3 . 695 70 70 GLY CA C 44.979 0.3 . 696 70 70 GLY N N 114.409 0.2 . 697 71 71 ASP H H 7.825 0.1 . 698 71 71 ASP HA H 4.772 0.1 . 699 71 71 ASP HB2 H 2.880 0.1 . 700 71 71 ASP HB3 H 2.292 0.1 . 701 71 71 ASP C C 173.349 0.3 . 702 71 71 ASP CA C 55.319 0.3 . 703 71 71 ASP CB C 42.179 0.3 . 704 71 71 ASP N N 121.038 0.2 . 705 72 72 LEU H H 8.431 0.1 . 706 72 72 LEU HA H 5.583 0.1 . 707 72 72 LEU HB2 H 2.181 0.1 . 708 72 72 LEU HB3 H 1.530 0.1 . 709 72 72 LEU HG H 1.045 0.1 . 710 72 72 LEU HD1 H 0.821 0.1 . 711 72 72 LEU C C 175.974 0.3 . 712 72 72 LEU CA C 53.514 0.3 . 713 72 72 LEU CB C 46.864 0.3 . 714 72 72 LEU CG C 27.977 0.3 . 715 72 72 LEU CD1 C 25.993 0.3 . 716 72 72 LEU CD2 C 24.354 0.3 . 717 72 72 LEU N N 120.493 0.2 . 718 73 73 ILE H H 9.738 0.1 . 719 73 73 ILE HA H 5.187 0.1 . 720 73 73 ILE HB H 1.943 0.1 . 721 73 73 ILE HG12 H 1.046 0.1 . 722 73 73 ILE HG13 H 1.000 0.1 . 723 73 73 ILE HG2 H 1.033 0.1 . 724 73 73 ILE HD1 H 0.587 0.1 . 725 73 73 ILE C C 174.990 0.3 . 726 73 73 ILE CA C 59.534 0.3 . 727 73 73 ILE CB C 41.340 0.3 . 728 73 73 ILE CG1 C 27.393 0.3 . 729 73 73 ILE CG2 C 19.321 0.3 . 730 73 73 ILE CD1 C 15.008 0.3 . 731 73 73 ILE N N 122.813 0.2 . 732 74 74 GLY H H 7.651 0.1 . 733 74 74 GLY HA2 H 4.250 0.1 . 734 74 74 GLY HA3 H 4.045 0.1 . 735 74 74 GLY C C 169.781 0.3 . 736 74 74 GLY CA C 47.524 0.3 . 737 74 74 GLY N N 108.478 0.2 . 738 75 75 SER H H 6.960 0.1 . 739 75 75 SER HA H 4.945 0.1 . 740 75 75 SER HB2 H 3.766 0.1 . 741 75 75 SER HB3 H 3.358 0.1 . 742 75 75 SER C C 171.691 0.3 . 743 75 75 SER CA C 55.871 0.3 . 744 75 75 SER CB C 65.263 0.3 . 745 75 75 SER N N 116.193 0.2 . 746 76 76 ASP H H 8.334 0.1 . 747 76 76 ASP HA H 4.540 0.1 . 748 76 76 ASP HB2 H 2.916 0.1 . 749 76 76 ASP HB3 H 2.247 0.1 . 750 76 76 ASP C C 175.261 0.3 . 751 76 76 ASP CA C 53.230 0.3 . 752 76 76 ASP CB C 41.198 0.3 . 753 76 76 ASP N N 118.379 0.2 . 754 77 77 SER H H 8.361 0.1 . 755 77 77 SER HA H 4.336 0.1 . 756 77 77 SER HB2 H 3.877 0.1 . 757 77 77 SER HB3 H 3.799 0.1 . 758 77 77 SER C C 175.597 0.3 . 759 77 77 SER CA C 58.342 0.3 . 760 77 77 SER CB C 62.230 0.3 . 761 77 77 SER N N 112.298 0.2 . 762 78 78 LEU H H 8.092 0.1 . 763 78 78 LEU HA H 4.201 0.1 . 764 78 78 LEU HB2 H 1.798 0.1 . 765 78 78 LEU HB3 H 1.547 0.1 . 766 78 78 LEU HG H 1.500 0.1 . 767 78 78 LEU HD1 H 0.600 0.1 . 768 78 78 LEU HD2 H 0.831 0.1 . 769 78 78 LEU CA C 56.354 0.3 . 770 78 78 LEU CB C 42.864 0.3 . 771 78 78 LEU CG C 26.491 0.3 . 772 78 78 LEU CD1 C 24.146 0.3 . 773 78 78 LEU CD2 C 24.146 0.3 . 774 78 78 LEU N N 118.442 0.2 . 775 79 79 THR H H 7.994 0.1 . 776 79 79 THR HA H 4.344 0.1 . 777 79 79 THR HB H 4.204 0.1 . 778 79 79 THR HG2 H 1.131 0.1 . 779 79 79 THR C C 174.712 0.3 . 780 79 79 THR CA C 62.795 0.3 . 781 79 79 THR CB C 68.531 0.3 . 782 79 79 THR CG2 C 22.630 0.3 . 783 79 79 THR N N 108.483 0.2 . 784 80 80 LYS H H 7.659 0.1 . 785 80 80 LYS HA H 4.358 0.1 . 786 80 80 LYS HB2 H 1.989 0.1 . 787 80 80 LYS HB3 H 1.827 0.1 . 788 80 80 LYS HG2 H 1.543 0.1 . 789 80 80 LYS HD2 H 1.664 0.1 . 790 80 80 LYS HE2 H 2.970 0.1 . 791 80 80 LYS C C 176.389 0.3 . 792 80 80 LYS CA C 56.237 0.3 . 793 80 80 LYS CB C 33.318 0.3 . 794 80 80 LYS CG C 25.166 0.3 . 795 80 80 LYS CD C 29.164 0.3 . 796 80 80 LYS CE C 42.041 0.3 . 797 80 80 LYS N N 121.811 0.2 . 798 81 81 GLU H H 8.433 0.1 . 799 81 81 GLU HA H 4.146 0.1 . 800 81 81 GLU HB2 H 2.010 0.1 . 801 81 81 GLU HB3 H 1.714 0.1 . 802 81 81 GLU HG2 H 2.214 0.1 . 803 81 81 GLU C C 175.331 0.3 . 804 81 81 GLU CA C 56.486 0.3 . 805 81 81 GLU CB C 29.331 0.3 . 806 81 81 GLU CG C 36.357 0.3 . 807 81 81 GLU N N 121.333 0.2 . 808 82 82 GLN H H 7.710 0.1 . 809 82 82 GLN HA H 4.366 0.1 . 810 82 82 GLN HB2 H 1.994 0.1 . 811 82 82 GLN HG2 H 2.347 0.1 . 812 82 82 GLN HG3 H 2.256 0.1 . 813 82 82 GLN HE21 H 7.533 0.1 . 814 82 82 GLN HE22 H 6.843 0.1 . 815 82 82 GLN C C 175.376 0.3 . 816 82 82 GLN CA C 55.664 0.3 . 817 82 82 GLN CB C 30.267 0.3 . 818 82 82 GLN CG C 33.455 0.3 . 819 82 82 GLN N N 120.778 0.2 . 820 82 82 GLN NE2 N 112.145 0.2 . 821 83 83 VAL H H 8.511 0.1 . 822 83 83 VAL HA H 3.915 0.1 . 823 83 83 VAL HB H 1.988 0.1 . 824 83 83 VAL HG1 H 1.026 0.1 . 825 83 83 VAL HG2 H 1.030 0.1 . 826 83 83 VAL C C 175.356 0.3 . 827 83 83 VAL CA C 63.106 0.3 . 828 83 83 VAL CB C 32.540 0.3 . 829 83 83 VAL CG1 C 21.443 0.3 . 830 83 83 VAL CG2 C 21.225 0.3 . 831 83 83 VAL N N 123.468 0.2 . 832 84 84 ILE H H 8.924 0.1 . 833 84 84 ILE HA H 4.181 0.1 . 834 84 84 ILE HB H 1.744 0.1 . 835 84 84 ILE HG12 H 1.400 0.1 . 836 84 84 ILE HG13 H 1.400 0.1 . 837 84 84 ILE HG2 H 0.847 0.1 . 838 84 84 ILE HD1 H 0.878 0.1 . 839 84 84 ILE C C 174.642 0.3 . 840 84 84 ILE CA C 60.293 0.3 . 841 84 84 ILE CB C 39.892 0.3 . 842 84 84 ILE CG1 C 27.296 0.3 . 843 84 84 ILE CG2 C 17.473 0.3 . 844 84 84 ILE CD1 C 14.312 0.3 . 845 84 84 ILE N N 130.303 0.2 . 846 85 85 LYS H H 8.638 0.1 . 847 85 85 LYS HA H 4.858 0.1 . 848 85 85 LYS HB2 H 1.775 0.1 . 849 85 85 LYS HB3 H 1.586 0.1 . 850 85 85 LYS HG2 H 1.452 0.1 . 851 85 85 LYS HG3 H 1.250 0.1 . 852 85 85 LYS HD2 H 1.659 0.1 . 853 85 85 LYS HE2 H 3.003 0.1 . 854 85 85 LYS C C 176.842 0.3 . 855 85 85 LYS CA C 54.730 0.3 . 856 85 85 LYS CB C 33.458 0.3 . 857 85 85 LYS CG C 25.273 0.3 . 858 85 85 LYS CD C 29.066 0.3 . 859 85 85 LYS CE C 42.159 0.3 . 860 85 85 LYS N N 127.567 0.2 . 861 86 86 THR H H 8.768 0.1 . 862 86 86 THR HA H 4.717 0.1 . 863 86 86 THR HB H 4.553 0.1 . 864 86 86 THR HG2 H 1.429 0.1 . 865 86 86 THR C C 177.970 0.3 . 866 86 86 THR CA C 61.407 0.3 . 867 86 86 THR CB C 70.854 0.3 . 868 86 86 THR CG2 C 24.159 0.3 . 869 86 86 THR N N 112.422 0.2 . 870 87 87 ASN H H 9.368 0.1 . 871 87 87 ASN HA H 4.548 0.1 . 872 87 87 ASN HB2 H 3.515 0.1 . 873 87 87 ASN HB3 H 2.404 0.1 . 874 87 87 ASN C C 174.688 0.3 . 875 87 87 ASN CA C 52.694 0.3 . 876 87 87 ASN CB C 39.423 0.3 . 877 87 87 ASN N N 120.864 0.2 . 878 88 88 ALA H H 7.215 0.1 . 879 88 88 ALA HA H 4.552 0.1 . 880 88 88 ALA HB H 1.175 0.1 . 881 88 88 ALA C C 174.428 0.3 . 882 88 88 ALA CA C 51.606 0.3 . 883 88 88 ALA CB C 21.545 0.3 . 884 88 88 ALA N N 116.155 0.2 . 885 89 89 ASN H H 8.574 0.1 . 886 89 89 ASN HA H 5.035 0.1 . 887 89 89 ASN HB2 H 2.996 0.1 . 888 89 89 ASN HB3 H 2.902 0.1 . 889 89 89 ASN C C 175.498 0.3 . 890 89 89 ASN CA C 51.911 0.3 . 891 89 89 ASN CB C 42.298 0.3 . 892 89 89 ASN N N 111.851 0.2 . 893 90 90 VAL H H 9.144 0.1 . 894 90 90 VAL HA H 4.913 0.1 . 895 90 90 VAL HB H 1.765 0.1 . 896 90 90 VAL HG1 H 0.754 0.1 . 897 90 90 VAL HG2 H 0.695 0.1 . 898 90 90 VAL C C 174.287 0.3 . 899 90 90 VAL CA C 62.128 0.3 . 900 90 90 VAL CB C 33.708 0.3 . 901 90 90 VAL CG1 C 21.143 0.3 . 902 90 90 VAL CG2 C 21.885 0.3 . 903 90 90 VAL N N 120.086 0.2 . 904 91 91 LYS H H 9.174 0.1 . 905 91 91 LYS HA H 4.737 0.1 . 906 91 91 LYS HB2 H 1.367 0.1 . 907 91 91 LYS HG2 H 0.591 0.1 . 908 91 91 LYS HD2 H 1.204 0.1 . 909 91 91 LYS HE2 H 2.529 0.1 . 910 91 91 LYS C C 175.106 0.3 . 911 91 91 LYS CA C 54.127 0.3 . 912 91 91 LYS CB C 37.127 0.3 . 913 91 91 LYS CG C 23.836 0.3 . 914 91 91 LYS CD C 29.840 0.3 . 915 91 91 LYS CE C 41.894 0.3 . 916 91 91 LYS N N 129.471 0.2 . 917 92 92 ALA H H 8.760 0.1 . 918 92 92 ALA HA H 4.203 0.1 . 919 92 92 ALA HB H 1.558 0.1 . 920 92 92 ALA C C 177.926 0.3 . 921 92 92 ALA CA C 53.663 0.3 . 922 92 92 ALA CB C 19.593 0.3 . 923 92 92 ALA N N 129.240 0.2 . 924 93 93 LEU H H 9.043 0.1 . 925 93 93 LEU HA H 4.556 0.1 . 926 93 93 LEU HB2 H 1.553 0.1 . 927 93 93 LEU HB3 H 1.461 0.1 . 928 93 93 LEU HG H 0.900 0.1 . 929 93 93 LEU HD1 H 0.809 0.1 . 930 93 93 LEU HD2 H 0.794 0.1 . 931 93 93 LEU C C 177.115 0.3 . 932 93 93 LEU CA C 55.973 0.3 . 933 93 93 LEU CB C 43.467 0.3 . 934 93 93 LEU CG C 27.649 0.3 . 935 93 93 LEU CD1 C 25.296 0.3 . 936 93 93 LEU CD2 C 23.126 0.3 . 937 93 93 LEU N N 125.481 0.2 . 938 94 94 THR H H 7.258 0.1 . 939 94 94 THR HA H 4.723 0.1 . 940 94 94 THR HB H 4.573 0.1 . 941 94 94 THR HG2 H 1.157 0.1 . 942 94 94 THR C C 173.280 0.3 . 943 94 94 THR CA C 59.225 0.3 . 944 94 94 THR CB C 72.621 0.3 . 945 94 94 THR CG2 C 21.062 0.3 . 946 94 94 THR N N 109.009 0.2 . 947 95 95 TYR H H 8.517 0.1 . 948 95 95 TYR HA H 4.687 0.1 . 949 95 95 TYR HB2 H 2.982 0.1 . 950 95 95 TYR HB3 H 2.855 0.1 . 951 95 95 TYR HD1 H 7.077 0.1 . 952 95 95 TYR HE1 H 7.183 0.1 . 953 95 95 TYR C C 178.355 0.3 . 954 95 95 TYR CA C 60.888 0.3 . 955 95 95 TYR CB C 38.168 0.3 . 956 95 95 TYR CD1 C 130.5 0.3 . 957 95 95 TYR CE1 C 115.180 0.3 . 958 95 95 TYR N N 118.902 0.2 . 959 96 96 CYS H H 8.670 0.1 . 960 96 96 CYS HA H 5.188 0.1 . 961 96 96 CYS HB2 H 2.595 0.1 . 962 96 96 CYS C C 172.864 0.3 . 963 96 96 CYS CA C 57.926 0.3 . 964 96 96 CYS CB C 31.727 0.3 . 965 96 96 CYS N N 125.803 0.2 . 966 97 97 ASP H H 8.090 0.1 . 967 97 97 ASP HA H 5.264 0.1 . 968 97 97 ASP HB2 H 2.901 0.1 . 969 97 97 ASP HB3 H 2.637 0.1 . 970 97 97 ASP C C 174.787 0.3 . 971 97 97 ASP CA C 54.116 0.3 . 972 97 97 ASP CB C 43.220 0.3 . 973 97 97 ASP N N 122.456 0.2 . 974 98 98 LEU H H 8.973 0.1 . 975 98 98 LEU HA H 5.688 0.1 . 976 98 98 LEU HB2 H 1.884 0.1 . 977 98 98 LEU HB3 H 1.683 0.1 . 978 98 98 LEU HG H 1.085 0.1 . 979 98 98 LEU HD1 H 0.835 0.1 . 980 98 98 LEU C C 177.587 0.3 . 981 98 98 LEU CA C 54.317 0.3 . 982 98 98 LEU CB C 45.965 0.3 . 983 98 98 LEU CG C 28.150 0.3 . 984 98 98 LEU CD1 C 24.779 0.3 . 985 98 98 LEU N N 122.202 0.2 . 986 99 99 GLN H H 9.201 0.1 . 987 99 99 GLN HA H 5.599 0.1 . 988 99 99 GLN HB2 H 2.137 0.1 . 989 99 99 GLN HB3 H 1.871 0.1 . 990 99 99 GLN HG2 H 2.678 0.1 . 991 99 99 GLN HG3 H 2.436 0.1 . 992 99 99 GLN C C 175.086 0.3 . 993 99 99 GLN CA C 54.306 0.3 . 994 99 99 GLN CB C 33.349 0.3 . 995 99 99 GLN CG C 35.430 0.3 . 996 99 99 GLN N N 120.158 0.2 . 997 100 100 TYR H H 9.211 0.1 . 998 100 100 TYR HA H 5.599 0.1 . 999 100 100 TYR HB2 H 2.712 0.1 . 1000 100 100 TYR HB3 H 2.476 0.1 . 1001 100 100 TYR HD1 H 7.020 0.1 . 1002 100 100 TYR HE1 H 6.609 0.1 . 1003 100 100 TYR C C 172.584 0.3 . 1004 100 100 TYR CA C 55.878 0.3 . 1005 100 100 TYR CB C 42.472 0.3 . 1006 100 100 TYR CD1 C 130.6 0.3 . 1007 100 100 TYR CE1 C 116.798 0.3 . 1008 100 100 TYR N N 117.636 0.2 . 1009 101 101 ILE H H 7.937 0.1 . 1010 101 101 ILE HA H 4.389 0.1 . 1011 101 101 ILE HB H 1.439 0.1 . 1012 101 101 ILE HG12 H 1.400 0.1 . 1013 101 101 ILE HG13 H 1.400 0.1 . 1014 101 101 ILE HG2 H 0.983 0.1 . 1015 101 101 ILE HD1 H 0.783 0.1 . 1016 101 101 ILE C C 175.337 0.3 . 1017 101 101 ILE CA C 60.008 0.3 . 1018 101 101 ILE CB C 41.935 0.3 . 1019 101 101 ILE CG1 C 28.196 0.3 . 1020 101 101 ILE CG2 C 18.341 0.3 . 1021 101 101 ILE CD1 C 14.019 0.3 . 1022 101 101 ILE N N 116.516 0.2 . 1023 102 102 SER H H 9.306 0.1 . 1024 102 102 SER HA H 4.698 0.1 . 1025 102 102 SER HB2 H 4.392 0.1 . 1026 102 102 SER HB3 H 4.308 0.1 . 1027 102 102 SER C C 174.713 0.3 . 1028 102 102 SER CA C 58.281 0.3 . 1029 102 102 SER CB C 63.829 0.3 . 1030 102 102 SER N N 123.613 0.2 . 1031 103 103 LEU H H 8.531 0.1 . 1032 103 103 LEU HA H 4.014 0.1 . 1033 103 103 LEU HB2 H 1.778 0.1 . 1034 103 103 LEU HB3 H 1.411 0.1 . 1035 103 103 LEU HG H 1.400 0.1 . 1036 103 103 LEU HD1 H 0.850 0.1 . 1037 103 103 LEU C C 178.907 0.3 . 1038 103 103 LEU CA C 58.243 0.3 . 1039 103 103 LEU CB C 40.231 0.3 . 1040 103 103 LEU CG C 27.566 0.3 . 1041 103 103 LEU CD1 C 25.649 0.3 . 1042 103 103 LEU CD2 C 23.532 0.3 . 1043 103 103 LEU N N 124.210 0.2 . 1044 104 104 LYS H H 8.479 0.1 . 1045 104 104 LYS HA H 3.918 0.1 . 1046 104 104 LYS HB2 H 1.908 0.1 . 1047 104 104 LYS HB3 H 1.779 0.1 . 1048 104 104 LYS HG2 H 1.564 0.1 . 1049 104 104 LYS HG3 H 1.430 0.1 . 1050 104 104 LYS HD2 H 1.763 0.1 . 1051 104 104 LYS HD3 H 1.760 0.1 . 1052 104 104 LYS C C 179.096 0.3 . 1053 104 104 LYS CA C 60.001 0.3 . 1054 104 104 LYS CB C 32.680 0.3 . 1055 104 104 LYS CG C 25.057 0.3 . 1056 104 104 LYS CD C 29.795 0.3 . 1057 104 104 LYS CE C 42.037 0.3 . 1058 104 104 LYS N N 118.534 0.2 . 1059 105 105 GLY H H 7.901 0.1 . 1060 105 105 GLY HA2 H 3.994 0.1 . 1061 105 105 GLY HA3 H 3.782 0.1 . 1062 105 105 GLY C C 176.028 0.3 . 1063 105 105 GLY CA C 46.947 0.3 . 1064 105 105 GLY N N 107.316 0.2 . 1065 106 106 LEU H H 8.565 0.1 . 1066 106 106 LEU HA H 3.749 0.1 . 1067 106 106 LEU HB2 H 1.879 0.1 . 1068 106 106 LEU HB3 H 1.561 0.1 . 1069 106 106 LEU HG H 1.323 0.1 . 1070 106 106 LEU HD2 H 0.667 0.1 . 1071 106 106 LEU C C 178.205 0.3 . 1072 106 106 LEU CA C 58.101 0.3 . 1073 106 106 LEU CB C 42.139 0.3 . 1074 106 106 LEU CG C 26.726 0.3 . 1075 106 106 LEU CD1 C 24.692 0.3 . 1076 106 106 LEU CD2 C 22.709 0.3 . 1077 106 106 LEU N N 122.943 0.2 . 1078 107 107 ARG H H 8.475 0.1 . 1079 107 107 ARG HA H 3.775 0.1 . 1080 107 107 ARG HB2 H 1.916 0.1 . 1081 107 107 ARG HB3 H 1.540 0.1 . 1082 107 107 ARG HG2 H 1.549 0.1 . 1083 107 107 ARG HD2 H 3.184 0.1 . 1084 107 107 ARG C C 178.982 0.3 . 1085 107 107 ARG CA C 60.425 0.3 . 1086 107 107 ARG CB C 30.468 0.3 . 1087 107 107 ARG CG C 29.384 0.3 . 1088 107 107 ARG CD C 43.963 0.3 . 1089 107 107 ARG N N 116.503 0.2 . 1090 108 108 GLU H H 7.445 0.1 . 1091 108 108 GLU HA H 4.108 0.1 . 1092 108 108 GLU HB2 H 2.130 0.1 . 1093 108 108 GLU HB3 H 2.080 0.1 . 1094 108 108 GLU HG2 H 2.283 0.1 . 1095 108 108 GLU HG3 H 2.463 0.1 . 1096 108 108 GLU C C 178.713 0.3 . 1097 108 108 GLU CA C 59.192 0.3 . 1098 108 108 GLU CB C 29.219 0.3 . 1099 108 108 GLU CG C 36.135 0.3 . 1100 108 108 GLU N N 118.210 0.2 . 1101 109 109 VAL H H 7.770 0.1 . 1102 109 109 VAL HA H 3.781 0.1 . 1103 109 109 VAL HB H 2.119 0.1 . 1104 109 109 VAL HG1 H 1.054 0.1 . 1105 109 109 VAL C C 178.226 0.3 . 1106 109 109 VAL CA C 67.152 0.3 . 1107 109 109 VAL CB C 31.923 0.3 . 1108 109 109 VAL CG1 C 23.417 0.3 . 1109 109 109 VAL CG2 C 22.742 0.3 . 1110 109 109 VAL N N 119.599 0.2 . 1111 110 110 LEU H H 8.510 0.1 . 1112 110 110 LEU HA H 4.018 0.1 . 1113 110 110 LEU HB2 H 1.804 0.1 . 1114 110 110 LEU HB3 H 1.351 0.1 . 1115 110 110 LEU HD1 H 0.344 0.1 . 1116 110 110 LEU HD2 H 0.494 0.1 . 1117 110 110 LEU C C 179.409 0.3 . 1118 110 110 LEU CA C 57.884 0.3 . 1119 110 110 LEU CB C 40.144 0.3 . 1120 110 110 LEU CG C 29.392 0.3 . 1121 110 110 LEU CD1 C 25.448 0.3 . 1122 110 110 LEU CD2 C 21.449 0.3 . 1123 110 110 LEU N N 117.055 0.2 . 1124 111 111 ARG H H 7.582 0.1 . 1125 111 111 ARG HA H 4.019 0.1 . 1126 111 111 ARG HB2 H 1.912 0.1 . 1127 111 111 ARG HG2 H 1.667 0.1 . 1128 111 111 ARG HG3 H 1.663 0.1 . 1129 111 111 ARG HD2 H 3.224 0.1 . 1130 111 111 ARG C C 177.872 0.3 . 1131 111 111 ARG CA C 58.820 0.3 . 1132 111 111 ARG CB C 30.339 0.3 . 1133 111 111 ARG CG C 28.009 0.3 . 1134 111 111 ARG CD C 43.665 0.3 . 1135 111 111 ARG N N 117.442 0.2 . 1136 112 112 LEU H H 7.516 0.1 . 1137 112 112 LEU HA H 4.030 0.1 . 1138 112 112 LEU HB2 H 1.903 0.1 . 1139 112 112 LEU HB3 H 1.077 0.1 . 1140 112 112 LEU C C 176.530 0.3 . 1141 112 112 LEU CA C 55.837 0.3 . 1142 112 112 LEU CB C 42.801 0.3 . 1143 112 112 LEU N N 118.180 0.2 . 1144 113 113 TYR H H 7.455 0.1 . 1145 113 113 TYR HA H 5.027 0.1 . 1146 113 113 TYR HB2 H 2.969 0.1 . 1147 113 113 TYR HB3 H 2.851 0.1 . 1148 113 113 TYR C C 173.319 0.3 . 1149 113 113 TYR CA C 55.971 0.3 . 1150 113 113 TYR CB C 38.774 0.3 . 1151 113 113 TYR N N 116.449 0.2 . 1152 114 114 PRO HA H 4.475 0.1 . 1153 114 114 PRO HB2 H 2.416 0.1 . 1154 114 114 PRO HB3 H 2.198 0.1 . 1155 114 114 PRO HG2 H 2.077 0.1 . 1156 114 114 PRO C C 179.280 0.3 . 1157 114 114 PRO CA C 65.127 0.3 . 1158 114 114 PRO CB C 32.091 0.3 . 1159 114 114 PRO CG C 27.673 0.3 . 1160 115 115 GLU H H 9.019 0.1 . 1161 115 115 GLU HA H 4.276 0.1 . 1162 115 115 GLU HB2 H 2.204 0.1 . 1163 115 115 GLU HG2 H 2.410 0.1 . 1164 115 115 GLU C C 179.239 0.3 . 1165 115 115 GLU CA C 59.782 0.3 . 1166 115 115 GLU CB C 28.445 0.3 . 1167 115 115 GLU CG C 36.912 0.3 . 1168 115 115 GLU N N 119.461 0.2 . 1169 116 116 TYR H H 7.952 0.1 . 1170 116 116 TYR HA H 4.475 0.1 . 1171 116 116 TYR HB2 H 3.748 0.1 . 1172 116 116 TYR HB3 H 2.959 0.1 . 1173 116 116 TYR HD1 H 6.895 0.1 . 1174 116 116 TYR C C 177.434 0.3 . 1175 116 116 TYR CA C 60.583 0.3 . 1176 116 116 TYR CB C 38.885 0.3 . 1177 116 116 TYR N N 121.477 0.2 . 1178 117 117 ALA H H 8.869 0.1 . 1179 117 117 ALA HA H 3.783 0.1 . 1180 117 117 ALA HB H 1.622 0.1 . 1181 117 117 ALA C C 178.708 0.3 . 1182 117 117 ALA CA C 55.672 0.3 . 1183 117 117 ALA CB C 19.179 0.3 . 1184 117 117 ALA N N 121.801 0.2 . 1185 118 118 GLN H H 7.452 0.1 . 1186 118 118 GLN HA H 4.090 0.1 . 1187 118 118 GLN HB2 H 2.147 0.1 . 1188 118 118 GLN HG2 H 2.380 0.1 . 1189 118 118 GLN HG3 H 2.518 0.1 . 1190 118 118 GLN HE21 H 6.898 0.1 . 1191 118 118 GLN HE22 H 7.495 0.1 . 1192 118 118 GLN C C 178.385 0.3 . 1193 118 118 GLN CA C 58.715 0.3 . 1194 118 118 GLN CB C 28.554 0.3 . 1195 118 118 GLN CG C 33.998 0.3 . 1196 118 118 GLN N N 112.874 0.2 . 1197 118 118 GLN NE2 N 112.122 0.2 . 1198 119 119 LYS H H 7.167 0.1 . 1199 119 119 LYS HA H 4.819 0.1 . 1200 119 119 LYS HB2 H 1.859 0.1 . 1201 119 119 LYS HG2 H 1.541 0.1 . 1202 119 119 LYS C C 177.557 0.3 . 1203 119 119 LYS CA C 58.444 0.3 . 1204 119 119 LYS CB C 32.042 0.3 . 1205 119 119 LYS CG C 24.958 0.3 . 1206 119 119 LYS CD C 29.132 0.3 . 1207 119 119 LYS CE C 42.124 0.3 . 1208 119 119 LYS N N 120.923 0.2 . 1209 120 120 PHE H H 8.462 0.1 . 1210 120 120 PHE HA H 3.716 0.1 . 1211 120 120 PHE HB2 H 2.865 0.1 . 1212 120 120 PHE HB3 H 2.404 0.1 . 1213 120 120 PHE HD1 H 7.102 0.1 . 1214 120 120 PHE C C 176.851 0.3 . 1215 120 120 PHE CA C 61.842 0.3 . 1216 120 120 PHE CB C 39.049 0.3 . 1217 120 120 PHE CD1 C 130.814 0.3 . 1218 120 120 PHE N N 120.682 0.2 . 1219 121 121 VAL H H 8.295 0.1 . 1220 121 121 VAL HA H 3.692 0.1 . 1221 121 121 VAL HB H 2.244 0.1 . 1222 121 121 VAL HG1 H 1.146 0.1 . 1223 121 121 VAL C C 177.932 0.3 . 1224 121 121 VAL CA C 65.723 0.3 . 1225 121 121 VAL CB C 31.760 0.3 . 1226 121 121 VAL CG1 C 21.919 0.3 . 1227 121 121 VAL N N 113.480 0.2 . 1228 122 122 SER H H 7.358 0.1 . 1229 122 122 SER HA H 4.389 0.1 . 1230 122 122 SER HB2 H 4.001 0.1 . 1231 122 122 SER HB3 H 4.177 0.1 . 1232 122 122 SER C C 176.029 0.3 . 1233 122 122 SER CA C 60.550 0.3 . 1234 122 122 SER CB C 63.456 0.3 . 1235 122 122 SER N N 114.042 0.2 . 1236 123 123 GLU H H 8.083 0.1 . 1237 123 123 GLU HA H 4.178 0.1 . 1238 123 123 GLU HB2 H 1.909 0.1 . 1239 123 123 GLU HB3 H 1.714 0.1 . 1240 123 123 GLU HG2 H 2.270 0.1 . 1241 123 123 GLU C C 179.011 0.3 . 1242 123 123 GLU CA C 57.712 0.3 . 1243 123 123 GLU CB C 30.108 0.3 . 1244 123 123 GLU CG C 36.130 0.3 . 1245 123 123 GLU N N 119.808 0.2 . 1246 124 124 ILE H H 8.233 0.1 . 1247 124 124 ILE HA H 3.608 0.1 . 1248 124 124 ILE HB H 1.070 0.1 . 1249 124 124 ILE HG12 H 1.068 0.1 . 1250 124 124 ILE HG2 H 0.593 0.1 . 1251 124 124 ILE HD1 H 0.809 0.1 . 1252 124 124 ILE C C 175.193 0.3 . 1253 124 124 ILE CA C 63.448 0.3 . 1254 124 124 ILE CB C 36.289 0.3 . 1255 124 124 ILE CG1 C 29.384 0.3 . 1256 124 124 ILE CG2 C 18.036 0.3 . 1257 124 124 ILE CD1 C 14.349 0.3 . 1258 124 124 ILE N N 119.671 0.2 . 1259 125 125 GLN H H 7.553 0.1 . 1260 125 125 GLN HA H 3.786 0.1 . 1261 125 125 GLN HB2 H 1.980 0.1 . 1262 125 125 GLN HG2 H 2.227 0.1 . 1263 125 125 GLN C C 177.119 0.3 . 1264 125 125 GLN CA C 58.882 0.3 . 1265 125 125 GLN CB C 28.290 0.3 . 1266 125 125 GLN CG C 34.080 0.3 . 1267 125 125 GLN N N 117.375 0.2 . 1268 126 126 HIS H H 7.464 0.1 . 1269 126 126 HIS HA H 4.555 0.1 . 1270 126 126 HIS HB2 H 3.283 0.1 . 1271 126 126 HIS C C 175.580 0.3 . 1272 126 126 HIS CA C 56.791 0.3 . 1273 126 126 HIS CB C 28.697 0.3 . 1274 126 126 HIS N N 114.202 0.2 . 1275 127 127 ASP H H 7.571 0.1 . 1276 127 127 ASP HA H 4.734 0.1 . 1277 127 127 ASP HB2 H 2.822 0.1 . 1278 127 127 ASP HB3 H 2.264 0.1 . 1279 127 127 ASP C C 176.148 0.3 . 1280 127 127 ASP CA C 54.779 0.3 . 1281 127 127 ASP CB C 41.317 0.3 . 1282 127 127 ASP N N 117.889 0.2 . 1283 128 128 LEU H H 7.346 0.1 . 1284 128 128 LEU HA H 4.001 0.1 . 1285 128 128 LEU HB2 H 1.558 0.1 . 1286 128 128 LEU HB3 H 1.193 0.1 . 1287 128 128 LEU HG H 1.500 0.1 . 1288 128 128 LEU HD1 H 0.595 0.1 . 1289 128 128 LEU C C 176.524 0.3 . 1290 128 128 LEU CA C 55.645 0.3 . 1291 128 128 LEU CB C 42.077 0.3 . 1292 128 128 LEU CG C 25.446 0.3 . 1293 128 128 LEU CD1 C 23.588 0.3 . 1294 128 128 LEU N N 119.889 0.2 . 1295 129 129 THR H H 9.392 0.1 . 1296 129 129 THR HA H 4.129 0.1 . 1297 129 129 THR HB H 3.906 0.1 . 1298 129 129 THR HG2 H 1.290 0.1 . 1299 129 129 THR C C 174.962 0.3 . 1300 129 129 THR CA C 65.608 0.3 . 1301 129 129 THR CB C 68.412 0.3 . 1302 129 129 THR CG2 C 23.033 0.3 . 1303 129 129 THR N N 124.130 0.2 . 1304 130 130 TYR H H 7.327 0.1 . 1305 130 130 TYR HA H 4.312 0.1 . 1306 130 130 TYR HB2 H 2.707 0.1 . 1307 130 130 TYR HB3 H 2.532 0.1 . 1308 130 130 TYR HD1 H 6.700 0.1 . 1309 130 130 TYR C C 171.822 0.3 . 1310 130 130 TYR CA C 59.443 0.3 . 1311 130 130 TYR CB C 42.205 0.3 . 1312 130 130 TYR N N 117.397 0.2 . 1313 131 131 ASN H H 7.780 0.1 . 1314 131 131 ASN HA H 4.800 0.1 . 1315 131 131 ASN HB2 H 2.865 0.1 . 1316 131 131 ASN HB3 H 2.331 0.1 . 1317 131 131 ASN HD21 H 7.105 0.1 . 1318 131 131 ASN C C 174.440 0.3 . 1319 131 131 ASN CA C 51.001 0.3 . 1320 131 131 ASN CB C 38.989 0.3 . 1321 131 131 ASN N N 126.912 0.2 . 1322 131 131 ASN ND2 N 113.216 0.2 . 1323 132 132 LEU H H 8.715 0.1 . 1324 132 132 LEU HA H 4.393 0.1 . 1325 132 132 LEU HB2 H 1.772 0.1 . 1326 132 132 LEU HB3 H 1.577 0.1 . 1327 132 132 LEU HD1 H 1.112 0.1 . 1328 132 132 LEU C C 176.441 0.3 . 1329 132 132 LEU CA C 55.095 0.3 . 1330 132 132 LEU CB C 44.671 0.3 . 1331 132 132 LEU CG C 28.426 0.3 . 1332 132 132 LEU CD1 C 25.112 0.3 . 1333 132 132 LEU N N 122.937 0.2 . 1334 133 133 ARG H H 8.216 0.1 . 1335 133 133 ARG HA H 4.003 0.1 . 1336 133 133 ARG HB2 H 1.897 0.1 . 1337 133 133 ARG HG2 H 1.805 0.1 . 1338 133 133 ARG HD2 H 3.213 0.1 . 1339 133 133 ARG HD3 H 3.244 0.1 . 1340 133 133 ARG C C 176.893 0.3 . 1341 133 133 ARG CA C 58.333 0.3 . 1342 133 133 ARG CB C 30.555 0.3 . 1343 133 133 ARG CG C 27.743 0.3 . 1344 133 133 ARG CD C 43.329 0.3 . 1345 133 133 ARG N N 121.150 0.2 . 1346 134 134 GLU H H 8.818 0.1 . 1347 134 134 GLU HA H 4.274 0.1 . 1348 134 134 GLU HB2 H 1.968 0.1 . 1349 134 134 GLU HB3 H 1.866 0.1 . 1350 134 134 GLU HG2 H 2.237 0.1 . 1351 134 134 GLU C C 176.388 0.3 . 1352 134 134 GLU CA C 57.558 0.3 . 1353 134 134 GLU CB C 30.145 0.3 . 1354 134 134 GLU CG C 36.324 0.3 . 1355 134 134 GLU N N 128.279 0.2 . 1356 135 135 GLY H H 8.882 0.1 . 1357 135 135 GLY HA2 H 4.126 0.1 . 1358 135 135 GLY HA3 H 3.899 0.1 . 1359 135 135 GLY C C 174.381 0.3 . 1360 135 135 GLY CA C 45.319 0.3 . 1361 135 135 GLY N N 114.551 0.2 . 1362 136 136 LEU H H 7.892 0.1 . 1363 136 136 LEU HA H 4.297 0.1 . 1364 136 136 LEU HB2 H 1.535 0.1 . 1365 136 136 LEU HD1 H 0.597 0.1 . 1366 136 136 LEU HD2 H 0.814 0.1 . 1367 136 136 LEU CA C 55.043 0.3 . 1368 136 136 LEU CB C 41.908 0.3 . 1369 136 136 LEU CG C 27.256 0.3 . 1370 136 136 LEU CD1 C 25.125 0.3 . 1371 136 136 LEU CD2 C 23.857 0.3 . 1372 136 136 LEU N N 121.878 0.2 . 1373 137 137 GLU H H 8.909 0.1 . 1374 137 137 GLU N N 122.462 0.2 . stop_ save_