data_25770 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N-terminal domain of the telomerase catalytic subunit Est2 from Ogataea polymorpha ; _BMRB_accession_number 25770 _BMRB_flat_file_name bmr25770.str _Entry_type original _Submission_date 2015-08-26 _Accession_date 2015-08-26 _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 Polshakov Vladimir . . 2 Efimov Sergey . . 3 Petrova Olga . . 4 Zvereva Maria . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 676 "13C chemical shifts" 521 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-28 original BMRB . stop_ _Original_release_date 2016-10-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignments of the N-terminal domain of Ogataea polymorpha telomerase reverse transcriptase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26721464 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Polshakov Vladimir . . 2 Petrova Olga . . 3 Parfenova Yulia . . 4 Efimov Sergey . . 5 Klochkov Vladimir . . 6 Zvereva Maria . . 7 Dontsova Olga . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 183 _Page_last 187 _Year 2016 _Details . loop_ _Keyword 'Protein structure and dynamics' Telomerase 'Telomerase reverse transcriptase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name N_Est2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TEN $TEN 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_TEN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TEN _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Telomerase reverse transcriptase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; MRFDQYVDENKSSDDFEPLI HDLFETRWHGTGREIWIERV KDRKIPSTLVKPNYSHEELI DMLIGYLADNRYENALINGL VTGDDLEIANSYGFKGRNAV TNLLKSPEFRLVHTIIGTET FLDLLINYSARMGNVYLWGE LNESNYKTQCKSSENLYFQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ARG 3 3 PHE 4 4 ASP 5 5 GLN 6 6 TYR 7 7 VAL 8 8 ASP 9 9 GLU 10 10 ASN 11 11 LYS 12 12 SER 13 13 SER 14 14 ASP 15 15 ASP 16 16 PHE 17 17 GLU 18 18 PRO 19 19 LEU 20 20 ILE 21 21 HIS 22 22 ASP 23 23 LEU 24 24 PHE 25 25 GLU 26 26 THR 27 27 ARG 28 28 TRP 29 29 HIS 30 30 GLY 31 31 THR 32 32 GLY 33 33 ARG 34 34 GLU 35 35 ILE 36 36 TRP 37 37 ILE 38 38 GLU 39 39 ARG 40 40 VAL 41 41 LYS 42 42 ASP 43 43 ARG 44 44 LYS 45 45 ILE 46 46 PRO 47 47 SER 48 48 THR 49 49 LEU 50 50 VAL 51 51 LYS 52 52 PRO 53 53 ASN 54 54 TYR 55 55 SER 56 56 HIS 57 57 GLU 58 58 GLU 59 59 LEU 60 60 ILE 61 61 ASP 62 62 MET 63 63 LEU 64 64 ILE 65 65 GLY 66 66 TYR 67 67 LEU 68 68 ALA 69 69 ASP 70 70 ASN 71 71 ARG 72 72 TYR 73 73 GLU 74 74 ASN 75 75 ALA 76 76 LEU 77 77 ILE 78 78 ASN 79 79 GLY 80 80 LEU 81 81 VAL 82 82 THR 83 83 GLY 84 84 ASP 85 85 ASP 86 86 LEU 87 87 GLU 88 88 ILE 89 89 ALA 90 90 ASN 91 91 SER 92 92 TYR 93 93 GLY 94 94 PHE 95 95 LYS 96 96 GLY 97 97 ARG 98 98 ASN 99 99 ALA 100 100 VAL 101 101 THR 102 102 ASN 103 103 LEU 104 104 LEU 105 105 LYS 106 106 SER 107 107 PRO 108 108 GLU 109 109 PHE 110 110 ARG 111 111 LEU 112 112 VAL 113 113 HIS 114 114 THR 115 115 ILE 116 116 ILE 117 117 GLY 118 118 THR 119 119 GLU 120 120 THR 121 121 PHE 122 122 LEU 123 123 ASP 124 124 LEU 125 125 LEU 126 126 ILE 127 127 ASN 128 128 TYR 129 129 SER 130 130 ALA 131 131 ARG 132 132 MET 133 133 GLY 134 134 ASN 135 135 VAL 136 136 TYR 137 137 LEU 138 138 TRP 139 139 GLY 140 140 GLU 141 141 LEU 142 142 ASN 143 143 GLU 144 144 SER 145 145 ASN 146 146 TYR 147 147 LYS 148 148 THR 149 149 GLN 150 150 CYS 151 151 LYS 152 152 SER 153 153 SER 154 154 GLU 155 155 ASN 156 156 LEU 157 157 TYR 158 158 PHE 159 159 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 GB AGC31420.1 'telomerase reverse transcriptase [Ogataea polymorpha]' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Details $TEN 'Ogataea polymorpha' 460523 Eukaryota Fungi Ogataea polymorpha DL1 'N-terminal domain of telomerase reverse transcriptase from Ogataea (Hansenula) polymorpha' 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 $TEN 'recombinant technology' . Escherichia coli BL21DE3 pET30aTEV stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TEN 0.5 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 '% w/v' 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TEN 0.8 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 '% w/v' 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TEN 0.5 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 '% w/v' 'natural abundance' D2O 100 % [U-2H] stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TEN 1.0 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 '% w/v' 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRest _Saveframe_category software _Name NMRest _Version . loop_ _Vendor _Address _Electronic_address 'Vladimir Polshakov' 'Center for Magnetic Tomography & Spectroscopy, Moscow States University' vpolsha@gmail.com stop_ loop_ _Task 'data analysis' stop_ _Details 'Program for analysis of NMR data of biomolecules' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_HNHB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_2D_DQF-COSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_4 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' 0.05 . M pH 7 . pH pressure 1 . atm temperature 303 . 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 protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Software_label $SPARKY $AutoAssign $NMRest $TALOS stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HCACO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HBHANH' '3D HNHA' '3D HNHB' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-TOCSY' '2D DQF-COSY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TEN _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 3.824 0.01 1 2 1 1 MET HB2 H 2.178 0.01 2 3 1 1 MET HB3 H 1.984 0.01 2 4 1 1 MET HE H 2.175 0.01 1 5 1 1 MET HG2 H 2.543 0.01 2 6 1 1 MET HG3 H 2.387 0.01 2 7 1 1 MET C C 172.040 0.08 1 8 1 1 MET CA C 55.124 0.08 1 9 1 1 MET CB C 34.437 0.08 1 10 1 1 MET CE C 16.667 0.08 1 11 1 1 MET CG C 29.781 0.08 1 12 2 2 ARG H H 8.982 0.01 1 13 2 2 ARG HA H 4.400 0.01 1 14 2 2 ARG HB2 H 2.377 0.01 2 15 2 2 ARG HB3 H 1.593 0.01 2 16 2 2 ARG HD2 H 3.451 0.01 2 17 2 2 ARG HD3 H 3.234 0.01 2 18 2 2 ARG HG2 H 1.798 0.01 2 19 2 2 ARG HG3 H 1.560 0.01 2 20 2 2 ARG C C 178.896 0.08 1 21 2 2 ARG CA C 57.248 0.08 1 22 2 2 ARG CB C 32.681 0.08 1 23 2 2 ARG CD C 43.960 0.08 1 24 2 2 ARG CG C 27.951 0.08 1 25 2 2 ARG N N 124.962 0.06 1 26 3 3 PHE H H 8.700 0.01 1 27 3 3 PHE HA H 4.425 0.01 1 28 3 3 PHE HB2 H 3.464 0.01 2 29 3 3 PHE HB3 H 3.275 0.01 2 30 3 3 PHE C C 176.171 0.08 1 31 3 3 PHE CA C 59.381 0.08 1 32 3 3 PHE CB C 39.697 0.08 1 33 3 3 PHE N N 122.848 0.06 1 34 4 4 ASP H H 8.512 0.01 1 35 4 4 ASP HA H 3.073 0.01 1 36 4 4 ASP HB2 H 1.787 0.01 2 37 4 4 ASP HB3 H 1.358 0.01 2 38 4 4 ASP C C 177.832 0.08 1 39 4 4 ASP CA C 56.697 0.08 1 40 4 4 ASP CB C 37.181 0.08 1 41 4 4 ASP N N 114.175 0.06 1 42 5 5 GLN H H 7.121 0.01 1 43 5 5 GLN HA H 3.993 0.01 1 44 5 5 GLN HB2 H 2.033 0.01 2 45 5 5 GLN HE21 H 7.881 0.01 2 46 5 5 GLN HE22 H 6.838 0.01 2 47 5 5 GLN HG2 H 2.384 0.01 2 48 5 5 GLN HG3 H 2.358 0.01 2 49 5 5 GLN C C 177.280 0.08 1 50 5 5 GLN CA C 58.347 0.08 1 51 5 5 GLN CB C 28.090 0.08 1 52 5 5 GLN CD C 179.946 0.08 1 53 5 5 GLN CG C 33.498 0.08 1 54 5 5 GLN N N 122.341 0.06 1 55 5 5 GLN NE2 N 112.529 0.06 1 56 6 6 TYR H H 7.760 0.01 1 57 6 6 TYR HA H 3.872 0.01 1 58 6 6 TYR HB2 H 3.204 0.01 2 59 6 6 TYR HB3 H 2.924 0.01 2 60 6 6 TYR C C 178.216 0.08 1 61 6 6 TYR CA C 62.547 0.08 1 62 6 6 TYR CB C 38.272 0.08 1 63 6 6 TYR N N 119.834 0.06 1 64 7 7 VAL H H 8.119 0.01 1 65 7 7 VAL HA H 3.124 0.01 1 66 7 7 VAL HB H 1.912 0.01 1 67 7 7 VAL HG1 H 0.838 0.01 2 68 7 7 VAL HG2 H 0.715 0.01 2 69 7 7 VAL C C 176.022 0.08 1 70 7 7 VAL CA C 67.445 0.08 1 71 7 7 VAL CB C 31.218 0.08 1 72 7 7 VAL CG1 C 22.212 0.08 2 73 7 7 VAL CG2 C 24.984 0.08 2 74 7 7 VAL N N 120.112 0.06 1 75 8 8 ASP H H 7.547 0.01 1 76 8 8 ASP HA H 4.276 0.01 1 77 8 8 ASP HB2 H 2.674 0.01 2 78 8 8 ASP HB3 H 2.674 0.01 2 79 8 8 ASP C C 178.821 0.08 1 80 8 8 ASP CA C 57.935 0.08 1 81 8 8 ASP CB C 42.104 0.08 1 82 8 8 ASP N N 116.359 0.06 1 83 9 9 GLU H H 8.255 0.01 1 84 9 9 GLU HA H 3.953 0.01 1 85 9 9 GLU HB2 H 1.875 0.01 2 86 9 9 GLU HB3 H 1.875 0.01 2 87 9 9 GLU HG2 H 2.445 0.01 2 88 9 9 GLU HG3 H 2.165 0.01 2 89 9 9 GLU C C 178.272 0.08 1 90 9 9 GLU CA C 58.921 0.08 1 91 9 9 GLU CB C 29.846 0.08 1 92 9 9 GLU CG C 37.177 0.08 1 93 9 9 GLU N N 114.937 0.06 1 94 10 10 ASN H H 7.321 0.01 1 95 10 10 ASN HA H 4.711 0.01 1 96 10 10 ASN HB2 H 2.661 0.01 2 97 10 10 ASN HB3 H 1.904 0.01 2 98 10 10 ASN HD21 H 6.909 0.01 2 99 10 10 ASN HD22 H 6.525 0.01 2 100 10 10 ASN C C 173.516 0.08 1 101 10 10 ASN CA C 53.545 0.08 1 102 10 10 ASN CB C 39.493 0.08 1 103 10 10 ASN N N 113.554 0.06 1 104 10 10 ASN ND2 N 118.977 0.06 1 105 11 11 LYS H H 7.244 0.01 1 106 11 11 LYS HA H 4.198 0.01 1 107 11 11 LYS HB2 H 1.960 0.01 2 108 11 11 LYS HB3 H 1.839 0.01 2 109 11 11 LYS C C 177.057 0.08 1 110 11 11 LYS CA C 56.741 0.08 1 111 11 11 LYS CB C 33.423 0.08 1 112 11 11 LYS N N 120.171 0.06 1 113 12 12 SER H H 8.990 0.01 1 114 12 12 SER HA H 4.347 0.01 1 115 12 12 SER HB2 H 4.072 0.01 2 116 12 12 SER HB3 H 3.953 0.01 2 117 12 12 SER C C 174.112 0.08 1 118 12 12 SER CA C 60.331 0.08 1 119 12 12 SER CB C 64.048 0.08 1 120 12 12 SER N N 116.541 0.06 1 121 13 13 SER H H 7.181 0.01 1 122 13 13 SER HA H 4.594 0.01 1 123 13 13 SER HB2 H 3.832 0.01 2 124 13 13 SER HB3 H 3.055 0.01 2 125 13 13 SER C C 175.157 0.08 1 126 13 13 SER CA C 56.952 0.08 1 127 13 13 SER CB C 64.305 0.08 1 128 13 13 SER N N 111.263 0.06 1 129 14 14 ASP H H 9.043 0.01 1 130 14 14 ASP HA H 4.382 0.01 1 131 14 14 ASP HB2 H 2.776 0.01 2 132 14 14 ASP HB3 H 2.636 0.01 2 133 14 14 ASP C C 178.122 0.08 1 134 14 14 ASP CA C 56.918 0.08 1 135 14 14 ASP CB C 39.964 0.08 1 136 14 14 ASP N N 126.463 0.06 1 137 15 15 ASP H H 8.409 0.01 1 138 15 15 ASP HA H 4.386 0.01 1 139 15 15 ASP HB2 H 2.446 0.01 2 140 15 15 ASP HB3 H 2.166 0.01 2 141 15 15 ASP C C 177.027 0.08 1 142 15 15 ASP CA C 55.928 0.08 1 143 15 15 ASP CB C 39.885 0.08 1 144 15 15 ASP N N 119.712 0.06 1 145 16 16 PHE H H 7.394 0.01 1 146 16 16 PHE HA H 4.820 0.01 1 147 16 16 PHE HB2 H 3.486 0.01 2 148 16 16 PHE HB3 H 2.976 0.01 2 149 16 16 PHE HD1 H 7.257 0.01 3 150 16 16 PHE HD2 H 7.257 0.01 3 151 16 16 PHE C C 176.408 0.08 1 152 16 16 PHE CA C 57.355 0.08 1 153 16 16 PHE CB C 39.411 0.08 1 154 16 16 PHE N N 113.548 0.06 1 155 17 17 GLU H H 7.890 0.01 1 156 17 17 GLU HA H 4.149 0.01 1 157 17 17 GLU HB2 H 2.231 0.01 2 158 17 17 GLU HB3 H 2.231 0.01 2 159 17 17 GLU HG2 H 2.483 0.01 2 160 17 17 GLU HG3 H 2.483 0.01 2 161 17 17 GLU C C 174.752 0.08 1 162 17 17 GLU CA C 62.362 0.08 1 163 17 17 GLU CB C 27.412 0.08 1 164 17 17 GLU CG C 36.420 0.08 1 165 17 17 GLU N N 121.730 0.06 1 166 18 18 PRO HA H 4.440 0.01 1 167 18 18 PRO HB2 H 2.362 0.01 2 168 18 18 PRO HB3 H 1.878 0.01 2 169 18 18 PRO HD2 H 3.758 0.01 2 170 18 18 PRO HD3 H 3.713 0.01 2 171 18 18 PRO HG2 H 2.054 0.01 2 172 18 18 PRO HG3 H 2.054 0.01 2 173 18 18 PRO C C 179.418 0.08 1 174 18 18 PRO CA C 66.180 0.08 1 175 18 18 PRO CB C 30.990 0.08 1 176 18 18 PRO CD C 49.980 0.08 1 177 18 18 PRO CG C 28.426 0.08 1 178 19 19 LEU H H 7.131 0.01 1 179 19 19 LEU HA H 4.202 0.01 1 180 19 19 LEU HB2 H 1.947 0.01 2 181 19 19 LEU HB3 H 1.609 0.01 2 182 19 19 LEU HD1 H 0.922 0.01 2 183 19 19 LEU HD2 H 0.863 0.01 2 184 19 19 LEU HG H 1.743 0.01 1 185 19 19 LEU C C 178.820 0.08 1 186 19 19 LEU CA C 57.495 0.08 1 187 19 19 LEU CB C 42.250 0.08 1 188 19 19 LEU CD1 C 25.255 0.08 1 189 19 19 LEU CD2 C 23.870 0.08 1 190 19 19 LEU CG C 27.862 0.08 1 191 19 19 LEU N N 117.792 0.06 1 192 20 20 ILE H H 7.974 0.01 1 193 20 20 ILE HA H 3.414 0.01 1 194 20 20 ILE HB H 2.069 0.01 1 195 20 20 ILE HD1 H 0.897 0.01 1 196 20 20 ILE HG2 H 0.991 0.01 1 197 20 20 ILE C C 177.421 0.08 1 198 20 20 ILE CA C 65.849 0.08 1 199 20 20 ILE CB C 38.223 0.08 1 200 20 20 ILE CD1 C 15.188 0.08 1 201 20 20 ILE CG2 C 17.681 0.08 1 202 20 20 ILE N N 120.500 0.06 1 203 21 21 HIS H H 7.838 0.01 1 204 21 21 HIS HA H 4.396 0.01 1 205 21 21 HIS HB2 H 3.231 0.01 2 206 21 21 HIS HB3 H 3.231 0.01 2 207 21 21 HIS HD2 H 7.175 0.01 1 208 21 21 HIS C C 177.163 0.08 1 209 21 21 HIS CA C 59.725 0.08 1 210 21 21 HIS CB C 29.285 0.08 1 211 21 21 HIS N N 117.503 0.06 1 212 22 22 ASP H H 7.906 0.01 1 213 22 22 ASP HA H 4.335 0.01 1 214 22 22 ASP HB2 H 2.797 0.01 2 215 22 22 ASP HB3 H 2.639 0.01 2 216 22 22 ASP C C 177.932 0.08 1 217 22 22 ASP CA C 57.612 0.08 1 218 22 22 ASP CB C 42.053 0.08 1 219 22 22 ASP N N 118.187 0.06 1 220 23 23 LEU H H 8.132 0.01 1 221 23 23 LEU HA H 3.567 0.01 1 222 23 23 LEU HB2 H 1.556 0.01 2 223 23 23 LEU HB3 H 1.176 0.01 2 224 23 23 LEU HD1 H -0.276 0.01 2 225 23 23 LEU HD2 H 0.018 0.01 2 226 23 23 LEU HG H 0.222 0.01 1 227 23 23 LEU C C 176.879 0.08 1 228 23 23 LEU CA C 58.192 0.08 1 229 23 23 LEU CB C 41.864 0.08 1 230 23 23 LEU CD1 C 22.177 0.08 2 231 23 23 LEU CD2 C 25.778 0.08 2 232 23 23 LEU CG C 26.425 0.08 1 233 23 23 LEU N N 119.635 0.06 1 234 24 24 PHE H H 8.064 0.01 1 235 24 24 PHE HA H 4.405 0.01 1 236 24 24 PHE HB2 H 3.254 0.01 2 237 24 24 PHE HB3 H 3.036 0.01 2 238 24 24 PHE HD1 H 7.611 0.01 3 239 24 24 PHE HD2 H 7.611 0.01 3 240 24 24 PHE C C 177.289 0.08 1 241 24 24 PHE CA C 62.343 0.08 1 242 24 24 PHE CB C 38.974 0.08 1 243 24 24 PHE CD1 C 132.260 0.08 3 244 24 24 PHE CD2 C 132.260 0.08 3 245 24 24 PHE N N 112.111 0.06 1 246 25 25 GLU H H 8.521 0.01 1 247 25 25 GLU HA H 4.499 0.01 1 248 25 25 GLU HB2 H 1.908 0.01 2 249 25 25 GLU HB3 H 1.820 0.01 2 250 25 25 GLU C C 177.691 0.08 1 251 25 25 GLU CA C 57.643 0.08 1 252 25 25 GLU CB C 29.695 0.08 1 253 25 25 GLU N N 116.276 0.06 1 254 26 26 THR H H 7.568 0.01 1 255 26 26 THR HA H 4.333 0.01 1 256 26 26 THR HB H 4.503 0.01 1 257 26 26 THR HG2 H 1.188 0.01 1 258 26 26 THR C C 175.771 0.08 1 259 26 26 THR CA C 64.419 0.08 1 260 26 26 THR CB C 69.016 0.08 1 261 26 26 THR CG2 C 22.260 0.08 1 262 26 26 THR N N 112.558 0.06 1 263 27 27 ARG H H 8.183 0.01 1 264 27 27 ARG HA H 4.624 0.01 1 265 27 27 ARG C C 177.838 0.08 1 266 27 27 ARG CA C 58.022 0.08 1 267 27 27 ARG N N 119.973 0.06 1 268 28 28 TRP H H 8.243 0.01 1 269 28 28 TRP HA H 5.107 0.01 1 270 28 28 TRP HB2 H 3.425 0.01 2 271 28 28 TRP HB3 H 3.251 0.01 2 272 28 28 TRP HD1 H 7.182 0.01 1 273 28 28 TRP HE1 H 10.280 0.01 1 274 28 28 TRP HH2 H 6.167 0.01 1 275 28 28 TRP HZ2 H 7.051 0.01 1 276 28 28 TRP CA C 54.502 0.08 1 277 28 28 TRP CB C 29.591 0.08 1 278 28 28 TRP CD1 C 123.380 0.08 1 279 28 28 TRP CH2 C 123.416 0.08 1 280 28 28 TRP CZ2 C 114.227 0.08 1 281 28 28 TRP N N 117.384 0.06 1 282 28 28 TRP NE1 N 127.443 0.06 1 283 29 29 HIS HA H 4.517 0.01 1 284 29 29 HIS HB2 H 3.310 0.01 2 285 29 29 HIS HB3 H 3.245 0.01 2 286 29 29 HIS HD2 H 7.165 0.01 1 287 29 29 HIS C C 175.693 0.08 1 288 29 29 HIS CA C 57.589 0.08 1 289 29 29 HIS CB C 28.725 0.08 1 290 30 30 GLY H H 8.542 0.01 1 291 30 30 GLY C C 175.679 0.08 1 292 30 30 GLY CA C 45.993 0.08 1 293 30 30 GLY N N 108.082 0.06 1 294 31 31 THR H H 7.994 0.01 1 295 31 31 THR HA H 4.179 0.01 1 296 31 31 THR HB H 3.861 0.01 1 297 31 31 THR HG2 H 1.069 0.01 1 298 31 31 THR C C 176.084 0.08 1 299 31 31 THR CA C 64.037 0.08 1 300 31 31 THR CB C 69.664 0.08 1 301 31 31 THR N N 113.924 0.06 1 302 32 32 GLY HA2 H 3.671 0.01 2 303 32 32 GLY HA3 H 3.603 0.01 2 304 32 32 GLY C C 174.351 0.08 1 305 32 32 GLY CA C 47.171 0.08 1 306 33 33 ARG H H 7.731 0.01 1 307 33 33 ARG HA H 4.246 0.01 1 308 33 33 ARG HB2 H 1.871 0.01 2 309 33 33 ARG HB3 H 1.871 0.01 2 310 33 33 ARG C C 175.824 0.08 1 311 33 33 ARG CA C 57.634 0.08 1 312 33 33 ARG CB C 30.560 0.08 1 313 33 33 ARG N N 115.700 0.06 1 314 34 34 GLU H H 7.660 0.01 1 315 34 34 GLU HA H 4.310 0.01 1 316 34 34 GLU HB2 H 2.323 0.01 2 317 34 34 GLU HB3 H 1.969 0.01 2 318 34 34 GLU C C 176.299 0.08 1 319 34 34 GLU CA C 55.817 0.08 1 320 34 34 GLU CB C 29.769 0.08 1 321 34 34 GLU N N 114.780 0.06 1 322 35 35 ILE H H 7.283 0.01 1 323 35 35 ILE HA H 4.338 0.01 1 324 35 35 ILE HB H 1.710 0.01 1 325 35 35 ILE HD1 H 0.527 0.01 1 326 35 35 ILE HG2 H 0.267 0.01 1 327 35 35 ILE C C 174.034 0.08 1 328 35 35 ILE CA C 62.010 0.08 1 329 35 35 ILE CB C 38.255 0.08 1 330 35 35 ILE CD1 C 12.746 0.08 1 331 35 35 ILE CG2 C 17.096 0.08 1 332 35 35 ILE N N 120.666 0.06 1 333 36 36 TRP H H 9.017 0.01 1 334 36 36 TRP HA H 4.974 0.01 1 335 36 36 TRP HB2 H 3.093 0.01 2 336 36 36 TRP HB3 H 2.991 0.01 2 337 36 36 TRP HD1 H 7.035 0.01 1 338 36 36 TRP HE1 H 10.554 0.01 1 339 36 36 TRP HE3 H 7.569 0.01 1 340 36 36 TRP HH2 H 7.298 0.01 1 341 36 36 TRP HZ2 H 7.567 0.01 1 342 36 36 TRP C C 176.090 0.08 1 343 36 36 TRP CA C 56.033 0.08 1 344 36 36 TRP CB C 31.184 0.08 1 345 36 36 TRP CD1 C 127.856 0.08 1 346 36 36 TRP CE3 C 121.167 0.08 1 347 36 36 TRP CH2 C 124.429 0.08 1 348 36 36 TRP CZ2 C 114.615 0.08 1 349 36 36 TRP N N 129.971 0.06 1 350 36 36 TRP NE1 N 130.349 0.06 1 351 37 37 ILE H H 8.686 0.01 1 352 37 37 ILE HA H 5.496 0.01 1 353 37 37 ILE HB H 1.748 0.01 1 354 37 37 ILE HD1 H 0.140 0.01 1 355 37 37 ILE HG12 H 1.119 0.01 2 356 37 37 ILE HG13 H 0.969 0.01 2 357 37 37 ILE HG2 H 0.495 0.01 1 358 37 37 ILE C C 174.936 0.08 1 359 37 37 ILE CA C 57.839 0.08 1 360 37 37 ILE CB C 40.472 0.08 1 361 37 37 ILE CD1 C 13.596 0.08 1 362 37 37 ILE CG1 C 26.422 0.08 1 363 37 37 ILE CG2 C 18.387 0.08 1 364 37 37 ILE N N 123.327 0.06 1 365 38 38 GLU H H 8.193 0.01 1 366 38 38 GLU HA H 4.645 0.01 1 367 38 38 GLU HB2 H 1.980 0.01 2 368 38 38 GLU HB3 H 1.820 0.01 2 369 38 38 GLU C C 174.337 0.08 1 370 38 38 GLU CA C 54.940 0.08 1 371 38 38 GLU CB C 33.750 0.08 1 372 38 38 GLU N N 120.643 0.06 1 373 39 39 ARG H H 8.975 0.01 1 374 39 39 ARG HA H 3.367 0.01 1 375 39 39 ARG HB2 H 1.490 0.01 2 376 39 39 ARG HB3 H 1.009 0.01 2 377 39 39 ARG HG2 H 1.226 0.01 2 378 39 39 ARG HG3 H 0.796 0.01 2 379 39 39 ARG C C 176.340 0.08 1 380 39 39 ARG CA C 58.041 0.08 1 381 39 39 ARG CB C 29.474 0.08 1 382 39 39 ARG CG C 28.871 0.08 1 383 39 39 ARG N N 126.694 0.06 1 384 40 40 VAL H H 8.781 0.01 1 385 40 40 VAL HA H 4.421 0.01 1 386 40 40 VAL HB H 2.100 0.01 1 387 40 40 VAL HG1 H 0.848 0.01 2 388 40 40 VAL HG2 H 0.788 0.01 2 389 40 40 VAL C C 175.333 0.08 1 390 40 40 VAL CA C 62.106 0.08 1 391 40 40 VAL CB C 34.394 0.08 1 392 40 40 VAL CG1 C 22.254 0.08 2 393 40 40 VAL CG2 C 20.214 0.08 2 394 40 40 VAL N N 122.195 0.06 1 395 41 41 LYS H H 8.121 0.01 1 396 41 41 LYS HA H 4.596 0.01 1 397 41 41 LYS HB2 H 2.098 0.01 2 398 41 41 LYS HB3 H 1.924 0.01 2 399 41 41 LYS C C 173.464 0.08 1 400 41 41 LYS CA C 53.616 0.08 1 401 41 41 LYS CB C 37.243 0.08 1 402 41 41 LYS N N 121.770 0.06 1 403 42 42 ASP H H 7.908 0.01 1 404 42 42 ASP HA H 4.675 0.01 1 405 42 42 ASP HB2 H 2.547 0.01 2 406 42 42 ASP HB3 H 2.290 0.01 2 407 42 42 ASP C C 175.298 0.08 1 408 42 42 ASP CA C 52.693 0.08 1 409 42 42 ASP CB C 41.600 0.08 1 410 42 42 ASP N N 119.353 0.06 1 411 43 43 ARG H H 9.100 0.01 1 412 43 43 ARG CA C 57.000 0.08 1 413 43 43 ARG N N 120.781 0.06 1 414 44 44 LYS C C 176.252 0.08 1 415 44 44 LYS CA C 55.805 0.08 1 416 44 44 LYS CB C 32.458 0.08 1 417 45 45 ILE H H 8.614 0.01 1 418 45 45 ILE HA H 4.132 0.01 1 419 45 45 ILE HB H 1.916 0.01 1 420 45 45 ILE HD1 H 0.779 0.01 1 421 45 45 ILE HG12 H 1.499 0.01 2 422 45 45 ILE HG13 H 1.439 0.01 2 423 45 45 ILE HG2 H 0.773 0.01 1 424 45 45 ILE CA C 57.517 0.08 1 425 45 45 ILE CB C 36.814 0.08 1 426 45 45 ILE CD1 C 11.521 0.08 1 427 45 45 ILE CG1 C 27.976 0.08 1 428 45 45 ILE CG2 C 18.620 0.08 1 429 45 45 ILE N N 125.404 0.06 1 430 46 46 PRO HA H 4.492 0.01 1 431 46 46 PRO HB2 H 2.028 0.01 2 432 46 46 PRO HB3 H 1.792 0.01 2 433 46 46 PRO HD2 H 3.731 0.01 2 434 46 46 PRO HD3 H 3.195 0.01 2 435 46 46 PRO HG2 H 1.571 0.01 2 436 46 46 PRO HG3 H 1.100 0.01 2 437 46 46 PRO C C 175.870 0.08 1 438 46 46 PRO CA C 62.497 0.08 1 439 46 46 PRO CB C 31.826 0.08 1 440 46 46 PRO CD C 50.663 0.08 1 441 46 46 PRO CG C 27.585 0.08 1 442 47 47 SER H H 7.109 0.01 1 443 47 47 SER HA H 4.765 0.01 1 444 47 47 SER N N 107.647 0.06 1 445 48 48 THR HA H 4.061 0.01 1 446 48 48 THR HB H 4.247 0.01 1 447 48 48 THR HG2 H 1.279 0.01 1 448 48 48 THR C C 175.503 0.08 1 449 48 48 THR CA C 63.570 0.08 1 450 48 48 THR CB C 68.467 0.08 1 451 48 48 THR CG2 C 22.699 0.08 1 452 49 49 LEU H H 7.125 0.01 1 453 49 49 LEU HA H 4.539 0.01 1 454 49 49 LEU HB2 H 1.487 0.01 2 455 49 49 LEU HB3 H 1.487 0.01 2 456 49 49 LEU HD1 H 0.641 0.01 2 457 49 49 LEU HD2 H 0.445 0.01 2 458 49 49 LEU C C 175.285 0.08 1 459 49 49 LEU CA C 55.297 0.08 1 460 49 49 LEU CB C 43.034 0.08 1 461 49 49 LEU CD1 C 23.152 0.08 2 462 49 49 LEU CD2 C 25.912 0.08 2 463 49 49 LEU N N 116.921 0.06 1 464 50 50 VAL H H 7.046 0.01 1 465 50 50 VAL HA H 3.841 0.01 1 466 50 50 VAL HB H 2.006 0.01 1 467 50 50 VAL HG1 H 0.903 0.01 2 468 50 50 VAL HG2 H 0.819 0.01 2 469 50 50 VAL C C 176.093 0.08 1 470 50 50 VAL CA C 63.720 0.08 1 471 50 50 VAL CB C 33.478 0.08 1 472 50 50 VAL CG1 C 21.913 0.08 2 473 50 50 VAL CG2 C 22.005 0.08 2 474 50 50 VAL N N 116.812 0.06 1 475 51 51 LYS H H 7.801 0.01 1 476 51 51 LYS HA H 4.232 0.01 1 477 51 51 LYS N N 120.590 0.06 1 478 52 52 PRO HA H 4.169 0.01 1 479 52 52 PRO HD2 H 3.608 0.01 2 480 52 52 PRO HD3 H 2.940 0.01 2 481 52 52 PRO C C 175.949 0.08 1 482 52 52 PRO CA C 63.905 0.08 1 483 52 52 PRO CB C 30.406 0.08 1 484 52 52 PRO CD C 51.421 0.08 1 485 53 53 ASN H H 7.813 0.01 1 486 53 53 ASN HA H 4.514 0.01 1 487 53 53 ASN HB2 H 2.877 0.01 2 488 53 53 ASN HB3 H 2.569 0.01 2 489 53 53 ASN HD21 H 7.456 0.01 2 490 53 53 ASN HD22 H 6.700 0.01 2 491 53 53 ASN C C 175.068 0.08 1 492 53 53 ASN CA C 53.225 0.08 1 493 53 53 ASN CB C 37.022 0.08 1 494 53 53 ASN N N 115.163 0.06 1 495 53 53 ASN ND2 N 111.954 0.06 1 496 54 54 TYR H H 7.808 0.01 1 497 54 54 TYR HA H 4.662 0.01 1 498 54 54 TYR HB2 H 3.252 0.01 2 499 54 54 TYR HB3 H 2.724 0.01 2 500 54 54 TYR HD1 H 7.087 0.01 3 501 54 54 TYR HD2 H 7.087 0.01 3 502 54 54 TYR C C 177.826 0.08 1 503 54 54 TYR CA C 57.567 0.08 1 504 54 54 TYR CB C 39.250 0.08 1 505 54 54 TYR CD1 C 132.053 0.08 3 506 54 54 TYR CD2 C 132.053 0.08 3 507 54 54 TYR N N 119.296 0.06 1 508 55 55 SER H H 9.157 0.01 1 509 55 55 SER HA H 4.494 0.01 1 510 55 55 SER HB2 H 4.343 0.01 2 511 55 55 SER HB3 H 4.133 0.01 2 512 55 55 SER C C 174.316 0.08 1 513 55 55 SER CA C 58.060 0.08 1 514 55 55 SER CB C 64.566 0.08 1 515 55 55 SER N N 118.695 0.06 1 516 56 56 HIS H H 9.016 0.01 1 517 56 56 HIS HA H 4.105 0.01 1 518 56 56 HIS HB2 H 3.280 0.01 2 519 56 56 HIS HB3 H 2.981 0.01 2 520 56 56 HIS HD2 H 6.807 0.01 1 521 56 56 HIS C C 175.932 0.08 1 522 56 56 HIS CA C 62.155 0.08 1 523 56 56 HIS CB C 31.791 0.08 1 524 56 56 HIS N N 121.624 0.06 1 525 57 57 GLU H H 9.094 0.01 1 526 57 57 GLU HA H 3.561 0.01 1 527 57 57 GLU HB2 H 2.013 0.01 2 528 57 57 GLU HB3 H 2.013 0.01 2 529 57 57 GLU C C 177.966 0.08 1 530 57 57 GLU CA C 61.589 0.08 1 531 57 57 GLU CB C 28.681 0.08 1 532 57 57 GLU N N 114.487 0.06 1 533 58 58 GLU H H 7.361 0.01 1 534 58 58 GLU HA H 3.942 0.01 1 535 58 58 GLU HB2 H 2.171 0.01 2 536 58 58 GLU HB3 H 1.821 0.01 2 537 58 58 GLU C C 178.571 0.08 1 538 58 58 GLU CA C 58.624 0.08 1 539 58 58 GLU CB C 30.009 0.08 1 540 58 58 GLU N N 117.777 0.06 1 541 59 59 LEU H H 8.585 0.01 1 542 59 59 LEU HA H 3.656 0.01 1 543 59 59 LEU HB2 H 2.101 0.01 2 544 59 59 LEU HB3 H 1.612 0.01 2 545 59 59 LEU HD1 H 1.072 0.01 2 546 59 59 LEU HD2 H 0.905 0.01 2 547 59 59 LEU HG H 1.420 0.01 1 548 59 59 LEU C C 178.254 0.08 1 549 59 59 LEU CA C 58.057 0.08 1 550 59 59 LEU CB C 41.066 0.08 1 551 59 59 LEU CD1 C 24.403 0.08 2 552 59 59 LEU CD2 C 26.598 0.08 2 553 59 59 LEU N N 120.596 0.06 1 554 60 60 ILE H H 7.381 0.01 1 555 60 60 ILE HA H 3.360 0.01 1 556 60 60 ILE HB H 1.910 0.01 1 557 60 60 ILE HD1 H 0.379 0.01 1 558 60 60 ILE HG12 H 1.461 0.01 2 559 60 60 ILE HG13 H 0.790 0.01 2 560 60 60 ILE HG2 H 0.742 0.01 1 561 60 60 ILE C C 177.275 0.08 1 562 60 60 ILE CA C 62.452 0.08 1 563 60 60 ILE CB C 34.542 0.08 1 564 60 60 ILE CD1 C 9.232 0.08 1 565 60 60 ILE CG1 C 26.146 0.08 1 566 60 60 ILE CG2 C 18.106 0.08 1 567 60 60 ILE N N 115.767 0.06 1 568 61 61 ASP H H 7.356 0.01 1 569 61 61 ASP HA H 4.303 0.01 1 570 61 61 ASP HB2 H 2.520 0.01 2 571 61 61 ASP HB3 H 2.520 0.01 2 572 61 61 ASP C C 179.946 0.08 1 573 61 61 ASP CA C 58.074 0.08 1 574 61 61 ASP CB C 39.673 0.08 1 575 61 61 ASP N N 118.835 0.06 1 576 62 62 MET H H 8.578 0.01 1 577 62 62 MET HA H 4.238 0.01 1 578 62 62 MET HB2 H 2.187 0.01 2 579 62 62 MET HB3 H 2.187 0.01 2 580 62 62 MET HE H 1.884 0.01 1 581 62 62 MET HG2 H 2.291 0.01 2 582 62 62 MET HG3 H 2.291 0.01 2 583 62 62 MET C C 179.313 0.08 1 584 62 62 MET CA C 56.878 0.08 1 585 62 62 MET CB C 31.488 0.08 1 586 62 62 MET CE C 16.824 0.08 1 587 62 62 MET CG C 31.838 0.08 1 588 62 62 MET N N 120.244 0.06 1 589 63 63 LEU H H 8.843 0.01 1 590 63 63 LEU HA H 4.034 0.01 1 591 63 63 LEU HB2 H 1.273 0.01 2 592 63 63 LEU HB3 H 2.067 0.01 2 593 63 63 LEU HD1 H 0.733 0.01 2 594 63 63 LEU HD2 H 0.571 0.01 2 595 63 63 LEU HG H 1.376 0.01 1 596 63 63 LEU C C 177.857 0.08 1 597 63 63 LEU CA C 57.835 0.08 1 598 63 63 LEU CB C 41.190 0.08 1 599 63 63 LEU CD1 C 25.903 0.08 2 600 63 63 LEU CD2 C 27.015 0.08 2 601 63 63 LEU CG C 27.671 0.08 1 602 63 63 LEU N N 124.022 0.06 1 603 64 64 ILE HA H 3.444 0.01 1 604 64 64 ILE HB H 1.940 0.01 1 605 64 64 ILE HD1 H 0.738 0.01 1 606 64 64 ILE HG2 H 0.836 0.01 1 607 64 64 ILE C C 177.959 0.08 1 608 64 64 ILE CA C 65.830 0.08 1 609 64 64 ILE CB C 37.262 0.08 1 610 64 64 ILE CD1 C 13.691 0.08 1 611 64 64 ILE CG2 C 17.088 0.08 1 612 65 65 GLY H H 7.599 0.01 1 613 65 65 GLY HA2 H 3.801 0.01 2 614 65 65 GLY HA3 H 3.801 0.01 2 615 65 65 GLY C C 174.798 0.08 1 616 65 65 GLY CA C 47.340 0.08 1 617 65 65 GLY N N 104.801 0.06 1 618 66 66 TYR H H 8.180 0.01 1 619 66 66 TYR HA H 4.216 0.01 1 620 66 66 TYR HB2 H 3.161 0.01 2 621 66 66 TYR HB3 H 3.161 0.01 2 622 66 66 TYR HD1 H 6.989 0.01 3 623 66 66 TYR HD2 H 6.989 0.01 3 624 66 66 TYR C C 178.487 0.08 1 625 66 66 TYR CA C 61.517 0.08 1 626 66 66 TYR CB C 38.905 0.08 1 627 66 66 TYR N N 123.196 0.06 1 628 77 77 ILE HA H 4.181 0.01 1 629 77 77 ILE HB H 2.107 0.01 1 630 77 77 ILE HD1 H 0.905 0.01 1 631 77 77 ILE HG12 H 1.459 0.01 2 632 77 77 ILE HG13 H 1.256 0.01 2 633 77 77 ILE HG2 H 0.935 0.01 1 634 77 77 ILE CA C 61.219 0.08 1 635 77 77 ILE CB C 38.355 0.08 1 636 77 77 ILE CD1 C 13.651 0.08 1 637 77 77 ILE CG1 C 27.569 0.08 1 638 77 77 ILE CG2 C 19.158 0.08 1 639 78 78 ASN HA H 4.599 0.01 1 640 78 78 ASN HB2 H 3.067 0.01 2 641 78 78 ASN HB3 H 2.803 0.01 2 642 78 78 ASN C C 176.176 0.08 1 643 78 78 ASN CA C 58.258 0.08 1 644 78 78 ASN CB C 39.540 0.08 1 645 79 79 GLY H H 8.001 0.01 1 646 79 79 GLY HA2 H 3.928 0.01 2 647 79 79 GLY HA3 H 3.804 0.01 2 648 79 79 GLY C C 173.492 0.08 1 649 79 79 GLY CA C 45.543 0.08 1 650 79 79 GLY N N 107.776 0.06 1 651 80 80 LEU H H 8.128 0.01 1 652 80 80 LEU HA H 4.525 0.01 1 653 80 80 LEU HB2 H 1.690 0.01 2 654 80 80 LEU HB3 H 1.484 0.01 2 655 80 80 LEU HD1 H 0.870 0.01 2 656 80 80 LEU HD2 H 0.833 0.01 2 657 80 80 LEU C C 177.537 0.08 1 658 80 80 LEU CA C 54.960 0.08 1 659 80 80 LEU CB C 42.653 0.08 1 660 80 80 LEU CD1 C 25.832 0.08 2 661 80 80 LEU N N 120.314 0.06 1 662 81 81 VAL H H 8.347 0.01 1 663 81 81 VAL HA H 4.223 0.01 1 664 81 81 VAL HB H 2.153 0.01 1 665 81 81 VAL HG1 H 0.937 0.01 2 666 81 81 VAL HG2 H 0.937 0.01 2 667 81 81 VAL C C 176.254 0.08 1 668 81 81 VAL CA C 62.136 0.08 1 669 81 81 VAL CB C 32.932 0.08 1 670 81 81 VAL CG1 C 21.110 0.08 2 671 81 81 VAL CG2 C 21.126 0.08 2 672 81 81 VAL N N 120.576 0.06 1 673 82 82 THR H H 8.221 0.01 1 674 82 82 THR HA H 4.310 0.01 1 675 82 82 THR HB H 4.231 0.01 1 676 82 82 THR HG2 H 1.211 0.01 1 677 82 82 THR C C 176.270 0.08 1 678 82 82 THR CA C 62.529 0.08 1 679 82 82 THR CB C 70.069 0.08 1 680 82 82 THR CG2 C 21.661 0.08 1 681 82 82 THR N N 116.962 0.06 1 682 83 83 GLY HA2 H 4.170 0.01 2 683 83 83 GLY HA3 H 3.936 0.01 2 684 83 83 GLY C C 174.581 0.08 1 685 83 83 GLY CA C 45.663 0.08 1 686 84 84 ASP H H 8.220 0.01 1 687 84 84 ASP HA H 4.619 0.01 1 688 84 84 ASP HB2 H 2.713 0.01 2 689 84 84 ASP HB3 H 2.713 0.01 2 690 84 84 ASP C C 176.152 0.08 1 691 84 84 ASP CA C 55.159 0.08 1 692 84 84 ASP CB C 41.176 0.08 1 693 84 84 ASP N N 120.874 0.06 1 694 85 85 ASP H H 8.426 0.01 1 695 85 85 ASP HA H 4.493 0.01 1 696 85 85 ASP HB2 H 2.678 0.01 2 697 85 85 ASP HB3 H 2.678 0.01 2 698 85 85 ASP C C 175.108 0.08 1 699 85 85 ASP CA C 54.713 0.08 1 700 85 85 ASP CB C 41.022 0.08 1 701 85 85 ASP N N 118.506 0.06 1 702 86 86 LEU H H 7.845 0.01 1 703 86 86 LEU HA H 4.199 0.01 1 704 86 86 LEU HB2 H 1.698 0.01 2 705 86 86 LEU HB3 H 1.612 0.01 2 706 86 86 LEU HD1 H 0.903 0.01 2 707 86 86 LEU HD2 H 0.843 0.01 2 708 86 86 LEU C C 177.763 0.08 1 709 86 86 LEU CA C 56.453 0.08 1 710 86 86 LEU CB C 42.415 0.08 1 711 86 86 LEU N N 121.612 0.06 1 712 87 87 GLU H H 8.366 0.01 1 713 87 87 GLU HA H 4.195 0.01 1 714 87 87 GLU HB2 H 2.043 0.01 2 715 87 87 GLU HB3 H 2.043 0.01 2 716 87 87 GLU C C 178.139 0.08 1 717 87 87 GLU CA C 58.210 0.08 1 718 87 87 GLU CB C 29.609 0.08 1 719 87 87 GLU N N 120.680 0.06 1 720 88 88 ILE H H 7.867 0.01 1 721 88 88 ILE HA H 4.020 0.01 1 722 88 88 ILE HB H 1.890 0.01 1 723 88 88 ILE HD1 H 0.746 0.01 1 724 88 88 ILE HG12 H 1.201 0.01 1 725 88 88 ILE HG2 H 0.937 0.01 1 726 88 88 ILE C C 176.921 0.08 1 727 88 88 ILE CA C 62.693 0.08 1 728 88 88 ILE CB C 38.115 0.08 1 729 88 88 ILE CD1 C 13.223 0.08 1 730 88 88 ILE CG1 C 28.344 0.08 1 731 88 88 ILE CG2 C 17.740 0.08 1 732 88 88 ILE N N 119.733 0.06 1 733 89 89 ALA H H 8.234 0.01 1 734 89 89 ALA HA H 4.156 0.01 1 735 89 89 ALA HB H 1.409 0.01 1 736 89 89 ALA C C 178.925 0.08 1 737 89 89 ALA CA C 54.182 0.08 1 738 89 89 ALA CB C 18.901 0.08 1 739 89 89 ALA N N 125.566 0.06 1 740 90 90 ASN H H 8.228 0.01 1 741 90 90 ASN HA H 4.530 0.01 1 742 90 90 ASN HB2 H 2.827 0.01 2 743 90 90 ASN HB3 H 2.827 0.01 2 744 90 90 ASN HD21 H 7.659 0.01 2 745 90 90 ASN HD22 H 6.869 0.01 2 746 90 90 ASN C C 176.476 0.08 1 747 90 90 ASN CA C 54.629 0.08 1 748 90 90 ASN CB C 38.722 0.08 1 749 90 90 ASN N N 116.527 0.06 1 750 90 90 ASN ND2 N 112.169 0.06 1 751 91 91 SER H H 8.101 0.01 1 752 91 91 SER HA H 4.277 0.01 1 753 91 91 SER HB2 H 3.644 0.01 2 754 91 91 SER HB3 H 3.498 0.01 2 755 91 91 SER C C 174.523 0.08 1 756 91 91 SER CA C 60.192 0.08 1 757 91 91 SER CB C 63.555 0.08 1 758 91 91 SER N N 114.732 0.06 1 759 92 92 TYR H H 8.004 0.01 1 760 92 92 TYR HA H 4.606 0.01 1 761 92 92 TYR HB2 H 2.718 0.01 2 762 92 92 TYR HB3 H 2.718 0.01 2 763 92 92 TYR C C 176.192 0.08 1 764 92 92 TYR CA C 58.288 0.08 1 765 92 92 TYR CB C 38.910 0.08 1 766 92 92 TYR N N 118.924 0.06 1 767 93 93 GLY C C 175.870 0.08 1 768 94 94 PHE H H 7.112 0.01 1 769 94 94 PHE HA H 4.766 0.01 1 770 94 94 PHE HB2 H 3.261 0.01 2 771 94 94 PHE HB3 H 2.808 0.01 2 772 94 94 PHE HD1 H 7.175 0.01 3 773 94 94 PHE HD2 H 7.175 0.01 3 774 94 94 PHE CA C 57.356 0.08 1 775 94 94 PHE CB C 40.393 0.08 1 776 94 94 PHE N N 107.608 0.06 1 777 100 100 VAL HA H 3.620 0.01 1 778 100 100 VAL HB H 2.189 0.01 1 779 100 100 VAL HG1 H 1.135 0.01 2 780 100 100 VAL HG2 H 1.042 0.01 2 781 100 100 VAL C C 177.599 0.08 1 782 100 100 VAL CA C 66.322 0.08 1 783 100 100 VAL CB C 31.507 0.08 1 784 100 100 VAL CG1 C 23.834 0.08 2 785 100 100 VAL CG2 C 22.152 0.08 2 786 101 101 THR H H 7.858 0.01 1 787 101 101 THR HA H 3.524 0.01 1 788 101 101 THR HB H 4.108 0.01 1 789 101 101 THR HG2 H 1.072 0.01 1 790 101 101 THR C C 175.908 0.08 1 791 101 101 THR CA C 67.498 0.08 1 792 101 101 THR CB C 67.746 0.08 1 793 101 101 THR CG2 C 22.349 0.08 1 794 101 101 THR N N 116.249 0.06 1 795 102 102 ASN H H 7.674 0.01 1 796 102 102 ASN HA H 4.305 0.01 1 797 102 102 ASN HB2 H 2.582 0.01 2 798 102 102 ASN HB3 H 2.491 0.01 2 799 102 102 ASN HD21 H 7.574 0.01 2 800 102 102 ASN HD22 H 6.919 0.01 2 801 102 102 ASN C C 177.998 0.08 1 802 102 102 ASN CA C 56.075 0.08 1 803 102 102 ASN CB C 37.471 0.08 1 804 102 102 ASN N N 117.794 0.06 1 805 102 102 ASN ND2 N 112.470 0.06 1 806 103 103 LEU H H 7.848 0.01 1 807 103 103 LEU HA H 4.019 0.01 1 808 103 103 LEU C C 180.057 0.08 1 809 103 103 LEU CA C 58.449 0.08 1 810 103 103 LEU CB C 41.756 0.08 1 811 103 103 LEU N N 123.027 0.06 1 812 104 104 LEU H H 8.426 0.01 1 813 104 104 LEU HA H 3.628 0.01 1 814 104 104 LEU HB2 H 1.816 0.01 2 815 104 104 LEU HB3 H 1.127 0.01 2 816 104 104 LEU HD1 H 0.379 0.01 2 817 104 104 LEU HD2 H -0.207 0.01 2 818 104 104 LEU HG H 1.515 0.01 1 819 104 104 LEU C C 177.509 0.08 1 820 104 104 LEU CA C 57.282 0.08 1 821 104 104 LEU CB C 41.955 0.08 1 822 104 104 LEU CD1 C 26.771 0.08 2 823 104 104 LEU CD2 C 22.156 0.08 2 824 104 104 LEU CG C 26.636 0.08 1 825 104 104 LEU N N 119.536 0.06 1 826 105 105 LYS H H 7.531 0.01 1 827 105 105 LYS HA H 4.084 0.01 1 828 105 105 LYS HB2 H 2.215 0.01 2 829 105 105 LYS HB3 H 1.857 0.01 2 830 105 105 LYS C C 175.113 0.08 1 831 105 105 LYS CA C 57.967 0.08 1 832 105 105 LYS CB C 33.958 0.08 1 833 105 105 LYS N N 115.498 0.06 1 834 106 106 SER H H 7.806 0.01 1 835 106 106 SER HA H 4.666 0.01 1 836 106 106 SER HB2 H 4.661 0.01 2 837 106 106 SER HB3 H 4.514 0.01 2 838 106 106 SER C C 172.090 0.08 1 839 106 106 SER CA C 58.466 0.08 1 840 106 106 SER CB C 63.411 0.08 1 841 106 106 SER N N 117.624 0.06 1 842 107 107 PRO HA H 4.086 0.01 1 843 107 107 PRO HB2 H 2.317 0.01 2 844 107 107 PRO HB3 H 2.267 0.01 2 845 107 107 PRO HD2 H 4.000 0.01 2 846 107 107 PRO HD3 H 4.000 0.01 2 847 107 107 PRO HG2 H 2.070 0.01 2 848 107 107 PRO HG3 H 1.762 0.01 2 849 107 107 PRO C C 178.852 0.08 1 850 107 107 PRO CA C 65.188 0.08 1 851 107 107 PRO CB C 31.867 0.08 1 852 107 107 PRO CD C 50.610 0.08 1 853 108 108 GLU H H 8.563 0.01 1 854 108 108 GLU HA H 3.431 0.01 1 855 108 108 GLU C C 177.482 0.08 1 856 108 108 GLU CA C 61.975 0.08 1 857 108 108 GLU CB C 28.816 0.08 1 858 108 108 GLU N N 117.322 0.06 1 859 109 109 PHE H H 7.504 0.01 1 860 109 109 PHE HA H 4.158 0.01 1 861 109 109 PHE HB2 H 3.346 0.01 2 862 109 109 PHE HB3 H 3.346 0.01 2 863 109 109 PHE HD1 H 7.103 0.01 3 864 109 109 PHE HD2 H 7.103 0.01 3 865 109 109 PHE C C 178.711 0.08 1 866 109 109 PHE CA C 62.681 0.08 1 867 109 109 PHE CB C 40.592 0.08 1 868 109 109 PHE N N 118.277 0.06 1 869 110 110 ARG H H 8.259 0.01 1 870 110 110 ARG HA H 2.645 0.01 1 871 110 110 ARG HB2 H 1.702 0.01 2 872 110 110 ARG HB3 H 1.483 0.01 2 873 110 110 ARG C C 178.780 0.08 1 874 110 110 ARG CA C 59.551 0.08 1 875 110 110 ARG CB C 29.869 0.08 1 876 110 110 ARG N N 122.631 0.06 1 877 111 111 LEU H H 7.571 0.01 1 878 111 111 LEU HA H 3.876 0.01 1 879 111 111 LEU HB2 H 1.593 0.01 2 880 111 111 LEU HB3 H 1.505 0.01 2 881 111 111 LEU HD1 H 0.723 0.01 2 882 111 111 LEU HD2 H 0.723 0.01 2 883 111 111 LEU HG H 1.412 0.01 1 884 111 111 LEU C C 178.250 0.08 1 885 111 111 LEU CA C 57.857 0.08 1 886 111 111 LEU CB C 40.900 0.08 1 887 111 111 LEU CD1 C 25.144 0.08 2 888 111 111 LEU CD2 C 25.144 0.08 2 889 111 111 LEU CG C 26.845 0.08 1 890 111 111 LEU N N 120.985 0.06 1 891 112 112 VAL H H 7.548 0.01 1 892 112 112 VAL HA H 3.084 0.01 1 893 112 112 VAL HB H 2.294 0.01 1 894 112 112 VAL HG1 H 1.057 0.01 2 895 112 112 VAL HG2 H 0.772 0.01 2 896 112 112 VAL C C 176.325 0.08 1 897 112 112 VAL CA C 68.196 0.08 1 898 112 112 VAL CB C 31.237 0.08 1 899 112 112 VAL CG1 C 21.738 0.08 2 900 112 112 VAL CG2 C 23.645 0.08 2 901 112 112 VAL N N 118.278 0.06 1 902 113 113 HIS H H 7.665 0.01 1 903 113 113 HIS HA H 3.753 0.01 1 904 113 113 HIS HB2 H 3.157 0.01 2 905 113 113 HIS HB3 H 3.157 0.01 2 906 113 113 HIS HD2 H 7.414 0.01 1 907 113 113 HIS C C 176.451 0.08 1 908 113 113 HIS CA C 57.459 0.08 1 909 113 113 HIS CB C 28.490 0.08 1 910 113 113 HIS N N 117.008 0.06 1 911 114 114 THR H H 7.979 0.01 1 912 114 114 THR HA H 3.538 0.01 1 913 114 114 THR HB H 4.144 0.01 1 914 114 114 THR HG2 H 0.968 0.01 1 915 114 114 THR C C 174.642 0.08 1 916 114 114 THR CA C 66.761 0.08 1 917 114 114 THR CB C 69.009 0.08 1 918 114 114 THR N N 117.015 0.06 1 919 115 115 ILE H H 7.925 0.01 1 920 115 115 ILE HA H 2.797 0.01 1 921 115 115 ILE HB H 1.571 0.01 1 922 115 115 ILE HD1 H 0.432 0.01 1 923 115 115 ILE HG12 H 1.426 0.01 2 924 115 115 ILE HG13 H 0.197 0.01 2 925 115 115 ILE HG2 H 0.660 0.01 1 926 115 115 ILE C C 177.279 0.08 1 927 115 115 ILE CA C 64.676 0.08 1 928 115 115 ILE CB C 38.422 0.08 1 929 115 115 ILE CD1 C 14.311 0.08 1 930 115 115 ILE CG2 C 18.199 0.08 1 931 115 115 ILE N N 119.053 0.06 1 932 116 116 ILE H H 7.906 0.01 1 933 116 116 ILE HA H 4.861 0.01 1 934 116 116 ILE HB H 2.131 0.01 1 935 116 116 ILE HD1 H 0.999 0.01 1 936 116 116 ILE HG12 H 1.984 0.01 2 937 116 116 ILE HG13 H 1.821 0.01 2 938 116 116 ILE HG2 H 0.733 0.01 1 939 116 116 ILE C C 176.806 0.08 1 940 116 116 ILE CA C 61.843 0.08 1 941 116 116 ILE CB C 38.205 0.08 1 942 116 116 ILE CD1 C 14.374 0.08 1 943 116 116 ILE N N 109.779 0.06 1 944 117 117 GLY H H 8.215 0.01 1 945 117 117 GLY HA2 H 4.667 0.01 2 946 117 117 GLY HA3 H 4.065 0.01 2 947 117 117 GLY C C 173.964 0.08 1 948 117 117 GLY CA C 44.758 0.08 1 949 117 117 GLY N N 112.522 0.06 1 950 118 118 THR H H 8.592 0.01 1 951 118 118 THR HA H 4.173 0.01 1 952 118 118 THR HB H 4.068 0.01 1 953 118 118 THR HG2 H 1.375 0.01 1 954 118 118 THR C C 175.372 0.08 1 955 118 118 THR CA C 67.814 0.08 1 956 118 118 THR CB C 69.262 0.08 1 957 118 118 THR CG2 C 23.490 0.08 1 958 118 118 THR N N 117.035 0.06 1 959 119 119 GLU H H 9.135 0.01 1 960 119 119 GLU HA H 3.728 0.01 1 961 119 119 GLU HB2 H 2.090 0.01 2 962 119 119 GLU HB3 H 2.090 0.01 2 963 119 119 GLU C C 178.361 0.08 1 964 119 119 GLU CA C 62.042 0.08 1 965 119 119 GLU CB C 29.213 0.08 1 966 119 119 GLU N N 120.819 0.06 1 967 120 120 THR H H 8.470 0.01 1 968 120 120 THR HA H 4.029 0.01 1 969 120 120 THR HB H 3.977 0.01 1 970 120 120 THR HG2 H 1.402 0.01 1 971 120 120 THR C C 174.872 0.08 1 972 120 120 THR CA C 66.231 0.08 1 973 120 120 THR CB C 67.773 0.08 1 974 120 120 THR CG2 C 23.943 0.08 1 975 120 120 THR N N 116.337 0.06 1 976 121 121 PHE H H 8.626 0.01 1 977 121 121 PHE HA H 4.281 0.01 1 978 121 121 PHE HB2 H 3.197 0.01 2 979 121 121 PHE HB3 H 2.972 0.01 2 980 121 121 PHE C C 175.907 0.08 1 981 121 121 PHE CA C 61.563 0.08 1 982 121 121 PHE CB C 40.206 0.08 1 983 121 121 PHE N N 122.483 0.06 1 984 122 122 LEU H H 8.387 0.01 1 985 122 122 LEU HA H 3.722 0.01 1 986 122 122 LEU HB2 H 2.057 0.01 2 987 122 122 LEU HB3 H 2.057 0.01 2 988 122 122 LEU HD1 H 0.667 0.01 2 989 122 122 LEU HD2 H 0.667 0.01 2 990 122 122 LEU C C 178.081 0.08 1 991 122 122 LEU CA C 57.718 0.08 1 992 122 122 LEU CB C 42.321 0.08 1 993 122 122 LEU CD1 C 28.125 0.08 2 994 122 122 LEU CD2 C 28.125 0.08 2 995 122 122 LEU N N 115.901 0.06 1 996 123 123 ASP H H 7.924 0.01 1 997 123 123 ASP HA H 4.369 0.01 1 998 123 123 ASP HB2 H 2.810 0.01 2 999 123 123 ASP HB3 H 2.680 0.01 2 1000 123 123 ASP C C 178.136 0.08 1 1001 123 123 ASP CA C 58.432 0.08 1 1002 123 123 ASP CB C 41.789 0.08 1 1003 123 123 ASP N N 120.482 0.06 1 1004 124 124 LEU H H 8.413 0.01 1 1005 124 124 LEU HA H 3.915 0.01 1 1006 124 124 LEU HB2 H 2.184 0.01 2 1007 124 124 LEU HB3 H 1.753 0.01 2 1008 124 124 LEU HD1 H 0.963 0.01 2 1009 124 124 LEU HD2 H 0.241 0.01 2 1010 124 124 LEU HG H 1.276 0.01 1 1011 124 124 LEU C C 177.902 0.08 1 1012 124 124 LEU CA C 58.096 0.08 1 1013 124 124 LEU CB C 40.298 0.08 1 1014 124 124 LEU CD1 C 25.605 0.08 2 1015 124 124 LEU CD2 C 21.703 0.08 2 1016 124 124 LEU N N 119.296 0.06 1 1017 125 125 LEU H H 6.947 0.01 1 1018 125 125 LEU HA H 3.541 0.01 1 1019 125 125 LEU HB2 H 1.210 0.01 2 1020 125 125 LEU HB3 H 0.660 0.01 2 1021 125 125 LEU HD1 H -0.318 0.01 2 1022 125 125 LEU HD2 H -0.935 0.01 2 1023 125 125 LEU HG H 0.794 0.01 1 1024 125 125 LEU C C 177.203 0.08 1 1025 125 125 LEU CA C 56.082 0.08 1 1026 125 125 LEU CB C 42.500 0.08 1 1027 125 125 LEU CD1 C 25.467 0.08 2 1028 125 125 LEU CD2 C 20.690 0.08 2 1029 125 125 LEU CG C 26.270 0.08 1 1030 125 125 LEU N N 115.133 0.06 1 1031 126 126 ILE H H 8.386 0.01 1 1032 126 126 ILE HA H 3.746 0.01 1 1033 126 126 ILE HB H 1.675 0.01 1 1034 126 126 ILE HD1 H 0.698 0.01 1 1035 126 126 ILE HG2 H 0.815 0.01 1 1036 126 126 ILE C C 179.146 0.08 1 1037 126 126 ILE CA C 64.249 0.08 1 1038 126 126 ILE CB C 39.416 0.08 1 1039 126 126 ILE CD1 C 13.735 0.08 1 1040 126 126 ILE CG2 C 16.996 0.08 1 1041 126 126 ILE N N 113.539 0.06 1 1042 127 127 ASN H H 8.956 0.01 1 1043 127 127 ASN HA H 5.077 0.01 1 1044 127 127 ASN HB2 H 3.103 0.01 2 1045 127 127 ASN HB3 H 3.103 0.01 2 1046 127 127 ASN C C 175.428 0.08 1 1047 127 127 ASN CA C 54.932 0.08 1 1048 127 127 ASN CB C 40.050 0.08 1 1049 127 127 ASN N N 115.629 0.06 1 1050 128 128 TYR H H 7.495 0.01 1 1051 128 128 TYR HA H 5.514 0.01 1 1052 128 128 TYR HB2 H 4.133 0.01 2 1053 128 128 TYR HB3 H 2.684 0.01 2 1054 128 128 TYR HD1 H 6.755 0.01 3 1055 128 128 TYR HD2 H 6.755 0.01 3 1056 128 128 TYR C C 175.464 0.08 1 1057 128 128 TYR CA C 56.731 0.08 1 1058 128 128 TYR CB C 39.124 0.08 1 1059 128 128 TYR CD1 C 133.163 0.08 3 1060 128 128 TYR CD2 C 133.163 0.08 3 1061 128 128 TYR N N 119.392 0.06 1 1062 129 129 SER H H 9.383 0.01 1 1063 129 129 SER HA H 4.953 0.01 1 1064 129 129 SER HB2 H 4.008 0.01 2 1065 129 129 SER HB3 H 3.704 0.01 2 1066 129 129 SER C C 173.207 0.08 1 1067 129 129 SER CA C 55.777 0.08 1 1068 129 129 SER CB C 66.364 0.08 1 1069 129 129 SER N N 113.630 0.06 1 1070 130 130 ALA H H 7.279 0.01 1 1071 130 130 ALA HA H 4.909 0.01 1 1072 130 130 ALA HB H -0.542 0.01 1 1073 130 130 ALA C C 175.117 0.08 1 1074 130 130 ALA CA C 49.716 0.08 1 1075 130 130 ALA CB C 20.807 0.08 1 1076 130 130 ALA N N 122.563 0.06 1 1077 131 131 ARG H H 8.721 0.01 1 1078 131 131 ARG HA H 4.862 0.01 1 1079 131 131 ARG HB2 H 1.067 0.01 2 1080 131 131 ARG HB3 H 1.067 0.01 2 1081 131 131 ARG C C 173.639 0.08 1 1082 131 131 ARG CA C 53.828 0.08 1 1083 131 131 ARG CB C 33.648 0.08 1 1084 131 131 ARG N N 121.907 0.06 1 1085 132 132 MET H H 8.660 0.01 1 1086 132 132 MET HA H 4.719 0.01 1 1087 132 132 MET HB2 H 1.972 0.01 2 1088 132 132 MET HB3 H 1.546 0.01 2 1089 132 132 MET HE H 1.920 0.01 1 1090 132 132 MET HG2 H 2.278 0.01 2 1091 132 132 MET HG3 H 2.278 0.01 2 1092 132 132 MET C C 176.007 0.08 1 1093 132 132 MET CA C 54.421 0.08 1 1094 132 132 MET CB C 35.411 0.08 1 1095 132 132 MET CE C 17.458 0.08 1 1096 132 132 MET CG C 31.957 0.08 1 1097 132 132 MET N N 124.524 0.06 1 1098 133 133 GLY H H 9.131 0.01 1 1099 133 133 GLY HA2 H 3.919 0.01 2 1100 133 133 GLY HA3 H 3.555 0.01 2 1101 133 133 GLY C C 174.120 0.08 1 1102 133 133 GLY CA C 47.257 0.08 1 1103 133 133 GLY N N 117.984 0.06 1 1104 134 134 ASN H H 8.864 0.01 1 1105 134 134 ASN HA H 4.656 0.01 1 1106 134 134 ASN HB2 H 2.869 0.01 2 1107 134 134 ASN HB3 H 2.711 0.01 2 1108 134 134 ASN C C 174.323 0.08 1 1109 134 134 ASN CA C 52.770 0.08 1 1110 134 134 ASN CB C 38.918 0.08 1 1111 134 134 ASN N N 124.767 0.06 1 1112 135 135 VAL H H 7.785 0.01 1 1113 135 135 VAL HA H 4.155 0.01 1 1114 135 135 VAL HB H 2.120 0.01 1 1115 135 135 VAL HG1 H 0.940 0.01 2 1116 135 135 VAL HG2 H 0.846 0.01 2 1117 135 135 VAL C C 174.940 0.08 1 1118 135 135 VAL CA C 61.721 0.08 1 1119 135 135 VAL CB C 33.843 0.08 1 1120 135 135 VAL CG1 C 21.267 0.08 2 1121 135 135 VAL CG2 C 21.415 0.08 2 1122 135 135 VAL N N 119.979 0.06 1 1123 136 136 TYR H H 8.661 0.01 1 1124 136 136 TYR HA H 4.551 0.01 1 1125 136 136 TYR HB2 H 2.739 0.01 2 1126 136 136 TYR HB3 H 2.500 0.01 2 1127 136 136 TYR C C 175.524 0.08 1 1128 136 136 TYR CA C 59.066 0.08 1 1129 136 136 TYR CB C 38.737 0.08 1 1130 136 136 TYR N N 125.170 0.06 1 1131 137 137 LEU H H 8.808 0.01 1 1132 137 137 LEU HA H 4.256 0.01 1 1133 137 137 LEU HB2 H 1.186 0.01 2 1134 137 137 LEU HB3 H 1.469 0.01 2 1135 137 137 LEU HD1 H 0.627 0.01 2 1136 137 137 LEU HD2 H 0.559 0.01 2 1137 137 137 LEU C C 178.099 0.08 1 1138 137 137 LEU CA C 56.171 0.08 1 1139 137 137 LEU CB C 43.828 0.08 1 1140 137 137 LEU CD1 C 23.314 0.08 2 1141 137 137 LEU CD2 C 25.634 0.08 2 1142 137 137 LEU N N 122.467 0.06 1 1143 138 138 TRP HB2 H 3.517 0.01 2 1144 138 138 TRP HB3 H 3.517 0.01 2 1145 138 138 TRP HD1 H 7.452 0.01 1 1146 138 138 TRP HE1 H 8.861 0.01 1 1147 138 138 TRP HH2 H 6.467 0.01 1 1148 138 138 TRP HZ2 H 6.650 0.01 1 1149 138 138 TRP CD1 C 129.800 0.08 1 1150 138 138 TRP CZ2 C 113.540 0.08 1 1151 138 138 TRP NE1 N 129.312 0.06 1 1152 141 141 LEU HA H 4.181 0.01 1 1153 141 141 LEU HB2 H 1.414 0.01 2 1154 141 141 LEU HB3 H 1.287 0.01 2 1155 141 141 LEU HD1 H 0.479 0.01 2 1156 141 141 LEU HD2 H 0.364 0.01 2 1157 141 141 LEU HG H 1.357 0.01 1 1158 141 141 LEU C C 177.036 0.08 1 1159 141 141 LEU CA C 54.663 0.08 1 1160 141 141 LEU CB C 42.580 0.08 1 1161 141 141 LEU CD1 C 24.740 0.08 2 1162 141 141 LEU CD2 C 22.975 0.08 2 1163 141 141 LEU CG C 27.052 0.08 1 1164 142 142 ASN H H 8.363 0.01 1 1165 142 142 ASN HA H 4.593 0.01 1 1166 142 142 ASN HB2 H 2.742 0.01 2 1167 142 142 ASN HB3 H 2.742 0.01 2 1168 142 142 ASN HD21 H 7.592 0.01 2 1169 142 142 ASN HD22 H 6.928 0.01 2 1170 142 142 ASN C C 175.289 0.08 1 1171 142 142 ASN CA C 53.157 0.08 1 1172 142 142 ASN CB C 39.172 0.08 1 1173 142 142 ASN N N 119.014 0.06 1 1174 142 142 ASN ND2 N 112.829 0.06 1 1175 143 143 GLU H H 8.442 0.01 1 1176 143 143 GLU HA H 4.188 0.01 1 1177 143 143 GLU HB2 H 2.051 0.01 2 1178 143 143 GLU HB3 H 1.921 0.01 2 1179 143 143 GLU C C 176.729 0.08 1 1180 143 143 GLU CA C 57.288 0.08 1 1181 143 143 GLU CB C 30.134 0.08 1 1182 143 143 GLU N N 121.100 0.06 1 1183 144 144 SER H H 8.326 0.01 1 1184 144 144 SER HA H 4.328 0.01 1 1185 144 144 SER HB2 H 3.813 0.01 2 1186 144 144 SER HB3 H 3.813 0.01 2 1187 144 144 SER C C 174.764 0.08 1 1188 144 144 SER CA C 59.156 0.08 1 1189 144 144 SER CB C 63.600 0.08 1 1190 144 144 SER N N 115.943 0.06 1 1191 145 145 ASN H H 8.288 0.01 1 1192 145 145 ASN HA H 4.636 0.01 1 1193 145 145 ASN HB2 H 2.662 0.01 2 1194 145 145 ASN HB3 H 2.662 0.01 2 1195 145 145 ASN HD21 H 7.471 0.01 2 1196 145 145 ASN HD22 H 6.852 0.01 2 1197 145 145 ASN C C 175.232 0.08 1 1198 145 145 ASN CA C 53.696 0.08 1 1199 145 145 ASN CB C 38.835 0.08 1 1200 145 145 ASN N N 120.066 0.06 1 1201 145 145 ASN ND2 N 112.260 0.06 1 1202 146 146 TYR H H 7.956 0.01 1 1203 146 146 TYR HA H 4.462 0.01 1 1204 146 146 TYR HB2 H 3.010 0.01 2 1205 146 146 TYR HB3 H 2.931 0.01 2 1206 146 146 TYR HD1 H 7.021 0.01 3 1207 146 146 TYR HD2 H 7.021 0.01 3 1208 146 146 TYR C C 175.926 0.08 1 1209 146 146 TYR CA C 58.614 0.08 1 1210 146 146 TYR CB C 38.510 0.08 1 1211 146 146 TYR N N 119.945 0.06 1 1212 147 147 LYS H H 7.997 0.01 1 1213 147 147 LYS HA H 4.244 0.01 1 1214 147 147 LYS HB2 H 1.768 0.01 2 1215 147 147 LYS HB3 H 1.691 0.01 2 1216 147 147 LYS C C 176.758 0.08 1 1217 147 147 LYS CA C 56.756 0.08 1 1218 147 147 LYS CB C 32.963 0.08 1 1219 147 147 LYS N N 121.716 0.06 1 1220 148 148 THR H H 7.953 0.01 1 1221 148 148 THR HA H 4.237 0.01 1 1222 148 148 THR HB H 4.202 0.01 1 1223 148 148 THR HG2 H 1.177 0.01 1 1224 148 148 THR C C 174.653 0.08 1 1225 148 148 THR CA C 62.292 0.08 1 1226 148 148 THR CB C 69.642 0.08 1 1227 148 148 THR CG2 C 21.729 0.08 1 1228 148 148 THR N N 114.129 0.06 1 1229 149 149 GLN H H 8.270 0.01 1 1230 149 149 GLN HA H 4.329 0.01 1 1231 149 149 GLN HE21 H 7.451 0.01 2 1232 149 149 GLN HE22 H 6.808 0.01 2 1233 149 149 GLN C C 175.848 0.08 1 1234 149 149 GLN CA C 56.015 0.08 1 1235 149 149 GLN CB C 29.475 0.08 1 1236 149 149 GLN CD C 180.346 0.08 1 1237 149 149 GLN CG C 33.679 0.08 1 1238 149 149 GLN N N 122.125 0.06 1 1239 149 149 GLN NE2 N 111.853 0.06 1 1240 150 150 CYS H H 8.286 0.01 1 1241 150 150 CYS HA H 4.446 0.01 1 1242 150 150 CYS HB2 H 2.858 0.01 2 1243 150 150 CYS HB3 H 2.858 0.01 2 1244 150 150 CYS C C 174.706 0.08 1 1245 150 150 CYS CA C 58.770 0.08 1 1246 150 150 CYS CB C 27.981 0.08 1 1247 150 150 CYS N N 120.538 0.06 1 1248 151 151 LYS H H 8.405 0.01 1 1249 151 151 LYS HA H 4.348 0.01 1 1250 151 151 LYS C C 176.620 0.08 1 1251 151 151 LYS CA C 56.462 0.08 1 1252 151 151 LYS CB C 33.041 0.08 1 1253 151 151 LYS N N 123.954 0.06 1 1254 152 152 SER H H 8.378 0.01 1 1255 152 152 SER HA H 4.438 0.01 1 1256 152 152 SER HB2 H 3.880 0.01 2 1257 152 152 SER HB3 H 3.880 0.01 2 1258 152 152 SER C C 174.805 0.08 1 1259 152 152 SER CA C 58.542 0.08 1 1260 152 152 SER CB C 63.827 0.08 1 1261 152 152 SER N N 117.173 0.06 1 1262 153 153 SER H H 8.344 0.01 1 1263 153 153 SER HA H 4.420 0.01 1 1264 153 153 SER HB2 H 3.903 0.01 2 1265 153 153 SER HB3 H 3.838 0.01 2 1266 153 153 SER C C 174.625 0.08 1 1267 153 153 SER CA C 58.699 0.08 1 1268 153 153 SER CB C 63.770 0.08 1 1269 153 153 SER N N 117.528 0.06 1 1270 154 154 GLU H H 8.324 0.01 1 1271 154 154 GLU HA H 4.226 0.01 1 1272 154 154 GLU HB2 H 2.031 0.01 2 1273 154 154 GLU HB3 H 1.900 0.01 2 1274 154 154 GLU C C 176.057 0.08 1 1275 154 154 GLU CA C 56.920 0.08 1 1276 154 154 GLU CB C 30.215 0.08 1 1277 154 154 GLU N N 121.995 0.06 1 1278 155 155 ASN H H 8.275 0.01 1 1279 155 155 ASN HA H 4.587 0.01 1 1280 155 155 ASN HB2 H 2.690 0.01 2 1281 155 155 ASN HB3 H 2.690 0.01 2 1282 155 155 ASN HD21 H 7.470 0.01 2 1283 155 155 ASN HD22 H 6.849 0.01 2 1284 155 155 ASN C C 174.744 0.08 1 1285 155 155 ASN CA C 53.305 0.08 1 1286 155 155 ASN CB C 38.820 0.08 1 1287 155 155 ASN N N 118.818 0.06 1 1288 155 155 ASN ND2 N 111.945 0.06 1 1289 156 156 LEU H H 7.966 0.01 1 1290 156 156 LEU HA H 4.183 0.01 1 1291 156 156 LEU HB2 H 1.407 0.01 2 1292 156 156 LEU HB3 H 1.281 0.01 2 1293 156 156 LEU HD1 H 0.824 0.01 2 1294 156 156 LEU HD2 H 0.756 0.01 2 1295 156 156 LEU HG H 1.413 0.01 1 1296 156 156 LEU C C 176.625 0.08 1 1297 156 156 LEU CA C 55.284 0.08 1 1298 156 156 LEU CB C 42.463 0.08 1 1299 156 156 LEU CD1 C 24.976 0.08 2 1300 156 156 LEU CD2 C 23.501 0.08 2 1301 156 156 LEU CG C 26.992 0.08 1 1302 156 156 LEU N N 121.968 0.06 1 1303 157 157 TYR H H 7.928 0.01 1 1304 157 157 TYR HA H 4.487 0.01 1 1305 157 157 TYR HB2 H 2.928 0.01 2 1306 157 157 TYR HB3 H 2.784 0.01 2 1307 157 157 TYR C C 175.158 0.08 1 1308 157 157 TYR CA C 57.626 0.08 1 1309 157 157 TYR CB C 38.800 0.08 1 1310 157 157 TYR N N 119.459 0.06 1 1311 158 158 PHE H H 7.946 0.01 1 1312 158 158 PHE HA H 4.570 0.01 1 1313 158 158 PHE HB2 H 3.127 0.01 2 1314 158 158 PHE HB3 H 2.932 0.01 2 1315 158 158 PHE HD1 H 7.172 0.01 3 1316 158 158 PHE HD2 H 7.172 0.01 3 1317 158 158 PHE C C 174.400 0.08 1 1318 158 158 PHE CA C 57.545 0.08 1 1319 158 158 PHE CB C 39.523 0.08 1 1320 158 158 PHE N N 121.239 0.06 1 1321 159 159 GLN H H 7.703 0.01 1 1322 159 159 GLN HA H 4.095 0.01 1 1323 159 159 GLN HB2 H 2.047 0.01 2 1324 159 159 GLN HB3 H 1.871 0.01 2 1325 159 159 GLN HE21 H 7.455 0.01 2 1326 159 159 GLN HE22 H 6.767 0.01 2 1327 159 159 GLN HG2 H 2.204 0.01 1 1328 159 159 GLN HG3 H 1.932 0.01 1 1329 159 159 GLN C C 180.120 0.08 1 1330 159 159 GLN CA C 57.429 0.08 1 1331 159 159 GLN CB C 30.590 0.08 1 1332 159 159 GLN CD C 181.156 0.08 1 1333 159 159 GLN CG C 34.136 0.08 1 1334 159 159 GLN N N 126.035 0.06 1 1335 159 159 GLN NE2 N 111.615 0.06 1 stop_ save_