data_17640 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; EL222(14-222) ; _BMRB_accession_number 17640 _BMRB_flat_file_name bmr17640.str _Entry_type original _Submission_date 2011-05-12 _Accession_date 2011-05-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'chemical shifts for EL222(14-222)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nash Abigail I. . 2 McNulty Reginald . . 3 Shillito Mary E. . 4 Swartz Trevor E. . 5 Bogomolni Roberto A. . 6 Luecke Hartmut . . 7 Gardner Kevin H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 515 "13C chemical shifts" 437 "15N chemical shifts" 167 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-04 original author . stop_ _Original_release_date 2012-06-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis of photosensitivity in a bacterial light-oxygen-voltage/helix-turn-helix (LOV-HTH) DNA-binding protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21606338 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nash Abigail I. . 2 McNulty Reginald . . 3 Shillito 'Mary Elizabeth' . . 4 Swartz Trevor E. . 5 Bogomolni Roberto A. . 6 Luecke Hartmut . . 7 Gardner Kevin H. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 108 _Journal_issue 23 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9449 _Page_last 9454 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EL222 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EL222(14-222) protein' $EL222(14-222) FMN $FMN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'blue light photosensing' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EL222(14-222) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EL222(14-222) _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'biological photosensor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 212 _Mol_residue_sequence ; GEFGADDTRVEVQPPAQWVL DLIEASPIASVVSDPRLADN PLIAINQAFTDLTGYSEEEC VGRNCRFLAGSGTEPWLTDK IRQGVREHKPVLVEILNYKK DGTPFRNAVLVAPIYDDDDE LLYFLGSQVEVDDDQPNMGM ARRERAAEMLKTLSPRQLEV TTLVASGLRNKEVAARLGLS EKTVKMHRGLVMEKLNLKTS ADLVRIAVEAGI ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLU 3 PHE 4 GLY 5 ALA 6 ASP 7 ASP 8 THR 9 ARG 10 VAL 11 GLU 12 VAL 13 GLN 14 PRO 15 PRO 16 ALA 17 GLN 18 TRP 19 VAL 20 LEU 21 ASP 22 LEU 23 ILE 24 GLU 25 ALA 26 SER 27 PRO 28 ILE 29 ALA 30 SER 31 VAL 32 VAL 33 SER 34 ASP 35 PRO 36 ARG 37 LEU 38 ALA 39 ASP 40 ASN 41 PRO 42 LEU 43 ILE 44 ALA 45 ILE 46 ASN 47 GLN 48 ALA 49 PHE 50 THR 51 ASP 52 LEU 53 THR 54 GLY 55 TYR 56 SER 57 GLU 58 GLU 59 GLU 60 CYS 61 VAL 62 GLY 63 ARG 64 ASN 65 CYS 66 ARG 67 PHE 68 LEU 69 ALA 70 GLY 71 SER 72 GLY 73 THR 74 GLU 75 PRO 76 TRP 77 LEU 78 THR 79 ASP 80 LYS 81 ILE 82 ARG 83 GLN 84 GLY 85 VAL 86 ARG 87 GLU 88 HIS 89 LYS 90 PRO 91 VAL 92 LEU 93 VAL 94 GLU 95 ILE 96 LEU 97 ASN 98 TYR 99 LYS 100 LYS 101 ASP 102 GLY 103 THR 104 PRO 105 PHE 106 ARG 107 ASN 108 ALA 109 VAL 110 LEU 111 VAL 112 ALA 113 PRO 114 ILE 115 TYR 116 ASP 117 ASP 118 ASP 119 ASP 120 GLU 121 LEU 122 LEU 123 TYR 124 PHE 125 LEU 126 GLY 127 SER 128 GLN 129 VAL 130 GLU 131 VAL 132 ASP 133 ASP 134 ASP 135 GLN 136 PRO 137 ASN 138 MET 139 GLY 140 MET 141 ALA 142 ARG 143 ARG 144 GLU 145 ARG 146 ALA 147 ALA 148 GLU 149 MET 150 LEU 151 LYS 152 THR 153 LEU 154 SER 155 PRO 156 ARG 157 GLN 158 LEU 159 GLU 160 VAL 161 THR 162 THR 163 LEU 164 VAL 165 ALA 166 SER 167 GLY 168 LEU 169 ARG 170 ASN 171 LYS 172 GLU 173 VAL 174 ALA 175 ALA 176 ARG 177 LEU 178 GLY 179 LEU 180 SER 181 GLU 182 LYS 183 THR 184 VAL 185 LYS 186 MET 187 HIS 188 ARG 189 GLY 190 LEU 191 VAL 192 MET 193 GLU 194 LYS 195 LEU 196 ASN 197 LEU 198 LYS 199 THR 200 SER 201 ALA 202 ASP 203 LEU 204 VAL 205 ARG 206 ILE 207 ALA 208 VAL 209 GLU 210 ALA 211 GLY 212 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 3P7N "Crystal Structure Of Light Activated Transcription Factor El222 From Erythrobacter Litoralis" 100.00 258 99.06 99.06 7.81e-149 GB ABC63043 "sensor histidine kinase [Erythrobacter litoralis HTCC2594]" 100.00 225 99.06 99.06 4.09e-149 REF WP_041685679 "histidine kinase [Erythrobacter litoralis]" 94.81 201 99.50 100.00 5.67e-143 stop_ save_ ############# # Ligands # ############# save_FMN _Saveframe_category ligand _Mol_type non-polymer _Name_common "FMN (FLAVIN MONONUCLEOTIDE)" _BMRB_code . _PDB_code FMN _Molecular_mass 456.344 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon May 16 11:37:39 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N1 N1 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C4A C4A C . 0 . ? N5 N5 N . 0 . ? C5A C5A C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C7M C7M C . 0 . ? C8 C8 C . 0 . ? C8M C8M C . 0 . ? C9 C9 C . 0 . ? C9A C9A C . 0 . ? N10 N10 N . 0 . ? C10 C10 C . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? HN3 HN3 H . 0 . ? H6 H6 H . 0 . ? HM71 HM71 H . 0 . ? HM72 HM72 H . 0 . ? HM73 HM73 H . 0 . ? HM81 HM81 H . 0 . ? HM82 HM82 H . 0 . ? HM83 HM83 H . 0 . ? H9 H9 H . 0 . ? H1'1 H1'1 H . 0 . ? H1'2 H1'2 H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H4' H4' H . 0 . ? HO4' HO4' H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N1 C2 ? ? DOUB N1 C10 ? ? DOUB C2 O2 ? ? SING C2 N3 ? ? SING N3 C4 ? ? SING N3 HN3 ? ? DOUB C4 O4 ? ? SING C4 C4A ? ? DOUB C4A N5 ? ? SING C4A C10 ? ? SING N5 C5A ? ? DOUB C5A C6 ? ? SING C5A C9A ? ? SING C6 C7 ? ? SING C6 H6 ? ? SING C7 C7M ? ? DOUB C7 C8 ? ? SING C7M HM71 ? ? SING C7M HM72 ? ? SING C7M HM73 ? ? SING C8 C8M ? ? SING C8 C9 ? ? SING C8M HM81 ? ? SING C8M HM82 ? ? SING C8M HM83 ? ? DOUB C9 C9A ? ? SING C9 H9 ? ? SING C9A N10 ? ? SING N10 C10 ? ? SING N10 C1' ? ? SING C1' C2' ? ? SING C1' H1'1 ? ? SING C1' H1'2 ? ? SING C2' O2' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C3' O3' ? ? SING C3' C4' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C4' O4' ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING O4' HO4' ? ? SING C5' O5' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING O5' P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $EL222(14-222) 'Erythrobacter litoralis' 314225 Bacteria . Erythrobacter litoralis HTCC2594 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 $EL222(14-222) 'recombinant technology' . Escherichia coli . 'His6-GB1 parallel' 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 $EL222(14-222) 0.1-1 mM '[U-100% 13C; U-100% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EL222(14-222) 0.1-1 mM '[U-100% 13C; U-100% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _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' 0.15 . M pH 6 . 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 protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'EL222(14-222) protein' _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 GLY CA C 43.1500 0.0000 1 2 2 2 GLU H H 8.6550 0.0000 1 3 2 2 GLU CA C 56.2440 0.0000 1 4 2 2 GLU CB C 29.5220 0.0000 1 5 2 2 GLU N N 120.5910 0.0000 1 6 3 3 PHE H H 8.5220 0.0000 1 7 3 3 PHE HA H 4.6040 0.0000 1 8 3 3 PHE HB2 H 3.1730 0.0000 2 9 3 3 PHE HB3 H 2.9670 0.0000 2 10 3 3 PHE CA C 57.5000 0.0000 1 11 3 3 PHE CB C 38.5120 0.0000 1 12 3 3 PHE N N 120.5830 0.0000 1 13 4 4 GLY H H 8.3570 0.0000 1 14 4 4 GLY HA2 H 3.9270 0.0000 2 15 4 4 GLY HA3 H 3.8710 0.0000 2 16 4 4 GLY CA C 44.6860 0.0000 1 17 4 4 GLY N N 110.8350 0.0000 1 18 5 5 ALA H H 8.1520 0.0000 1 19 5 5 ALA HA H 4.2650 0.0000 1 20 5 5 ALA HB H 1.3500 0.0000 1 21 5 5 ALA CA C 52.2550 0.0000 1 22 5 5 ALA CB C 18.5450 0.0000 1 23 5 5 ALA N N 123.6520 0.0000 1 24 6 6 ASP H H 8.3630 0.0000 1 25 6 6 ASP HA H 4.5720 0.0000 1 26 6 6 ASP HB2 H 2.6930 0.0000 2 27 6 6 ASP HB3 H 2.5820 0.0000 2 28 6 6 ASP CA C 53.9380 0.0000 1 29 6 6 ASP CB C 40.4650 0.0000 1 30 6 6 ASP N N 118.8260 0.0000 1 31 7 7 ASP H H 8.2080 0.0000 1 32 7 7 ASP HA H 4.6200 0.0000 1 33 7 7 ASP HB2 H 2.6900 0.0000 2 34 7 7 ASP HB3 H 2.6300 0.0000 2 35 7 7 ASP CA C 54.0050 0.0000 1 36 7 7 ASP CB C 40.4170 0.0000 1 37 7 7 ASP N N 120.7940 0.0000 1 38 8 8 THR H H 8.1430 0.0000 1 39 8 8 THR HA H 4.2400 0.0000 1 40 8 8 THR HB H 4.1900 0.0000 1 41 8 8 THR HG2 H 1.1700 0.0000 1 42 8 8 THR CA C 61.9270 0.0000 1 43 8 8 THR CB C 69.1830 0.0000 1 44 8 8 THR CG2 C 21.6000 0.0000 1 45 8 8 THR N N 114.4950 0.0000 1 46 9 9 ARG H H 8.1540 0.0000 1 47 9 9 ARG HA H 4.4040 0.0000 1 48 9 9 ARG HB2 H 1.7320 0.0000 2 49 9 9 ARG HB3 H 1.6710 0.0000 2 50 9 9 ARG HG2 H 1.5000 0.0000 2 51 9 9 ARG HD2 H 3.1050 0.0000 2 52 9 9 ARG CA C 55.3210 0.0000 1 53 9 9 ARG CB C 30.4390 0.0000 1 54 9 9 ARG CG C 26.9000 0.0000 1 55 9 9 ARG CD C 43.5350 0.0000 1 56 9 9 ARG N N 123.7050 0.0000 1 57 10 10 VAL H H 8.3820 0.0000 1 58 10 10 VAL HA H 4.1830 0.0000 1 59 10 10 VAL HB H 2.0300 0.0000 1 60 10 10 VAL HG1 H 0.9450 0.0000 2 61 10 10 VAL HG2 H 0.9450 0.0000 2 62 10 10 VAL CA C 61.1690 0.0000 1 63 10 10 VAL CB C 32.8120 0.0000 1 64 10 10 VAL CG1 C 21.4040 0.0000 2 65 10 10 VAL CG2 C 20.5500 0.0000 2 66 10 10 VAL N N 122.2770 0.0000 1 67 11 11 GLU H H 8.4220 0.0000 1 68 11 11 GLU HA H 4.2750 0.0000 1 69 11 11 GLU HB2 H 1.9580 0.0000 2 70 11 11 GLU HB3 H 1.8870 0.0000 2 71 11 11 GLU HG2 H 2.2410 0.0000 2 72 11 11 GLU HG3 H 2.1380 0.0000 2 73 11 11 GLU CA C 55.9150 0.0000 1 74 11 11 GLU CB C 29.2940 0.0000 1 75 11 11 GLU CG C 36.2200 0.0000 1 76 11 11 GLU N N 124.7000 0.0000 1 77 12 12 VAL H H 8.2150 0.0000 1 78 12 12 VAL HA H 4.2230 0.0000 1 79 12 12 VAL HB H 2.0100 0.0000 1 80 12 12 VAL HG1 H 0.9010 0.0000 2 81 12 12 VAL HG2 H 0.8450 0.0000 2 82 12 12 VAL CA C 60.8290 0.0000 1 83 12 12 VAL CB C 33.0090 0.0000 1 84 12 12 VAL CG1 C 21.6400 0.0000 2 85 12 12 VAL CG2 C 20.3600 0.0000 2 86 12 12 VAL N N 122.0500 0.0000 1 87 13 13 GLN H H 8.5630 0.0000 1 88 13 13 GLN HA H 4.5480 0.0000 1 89 13 13 GLN HB2 H 2.1090 0.0000 2 90 13 13 GLN HB3 H 1.9100 0.0000 2 91 13 13 GLN HG2 H 2.4300 0.0000 2 92 13 13 GLN HE21 H 7.5670 0.0000 2 93 13 13 GLN HE22 H 6.8680 0.0000 2 94 13 13 GLN CA C 53.2160 0.0000 1 95 13 13 GLN CB C 27.5770 0.0000 1 96 13 13 GLN CG C 33.5000 0.0000 1 97 13 13 GLN N N 125.5510 0.0000 1 98 13 13 GLN NE2 N 112.9900 0.0000 1 99 15 15 PRO CA C 60.6590 0.0000 1 100 15 15 PRO CB C 37.8950 0.0000 1 101 16 16 ALA H H 8.3060 0.0000 1 102 16 16 ALA CA C 52.0370 0.0000 1 103 16 16 ALA N N 127.8490 0.0000 1 104 17 17 GLN H H 8.2030 0.0000 1 105 17 17 GLN CA C 55.4010 0.0000 1 106 17 17 GLN CB C 28.7410 0.0000 1 107 17 17 GLN N N 118.8590 0.0000 1 108 18 18 TRP H H 8.0340 0.0000 1 109 18 18 TRP CA C 56.5610 0.0000 1 110 18 18 TRP CB C 28.8760 0.0000 1 111 18 18 TRP N N 121.5620 0.0000 1 112 19 19 VAL H H 7.9110 0.0000 1 113 19 19 VAL CA C 64.9970 0.0000 1 114 19 19 VAL CG1 C 21.1580 0.0000 2 115 19 19 VAL N N 122.1000 0.0000 1 116 20 20 LEU H H 6.7130 0.0000 1 117 20 20 LEU HA H 3.7710 0.0000 1 118 20 20 LEU HB2 H 1.7980 0.0000 2 119 20 20 LEU HB3 H 1.4460 0.0000 2 120 20 20 LEU HG H 1.4170 0.0000 1 121 20 20 LEU HD1 H 0.8100 0.0000 2 122 20 20 LEU HD2 H 0.7330 0.0000 2 123 20 20 LEU CA C 57.0140 0.0000 1 124 20 20 LEU CB C 40.6370 0.0000 1 125 20 20 LEU CG C 26.8390 0.0000 1 126 20 20 LEU CD1 C 25.3240 0.0000 2 127 20 20 LEU CD2 C 22.6060 0.0000 2 128 20 20 LEU N N 117.8830 0.0000 1 129 21 21 ASP H H 8.6810 0.0000 1 130 21 21 ASP HA H 4.2610 0.0000 1 131 21 21 ASP HB2 H 2.6550 0.0000 2 132 21 21 ASP CA C 56.4510 0.0000 1 133 21 21 ASP CB C 39.6980 0.0000 1 134 21 21 ASP N N 118.1980 0.0000 1 135 22 22 LEU H H 7.4420 0.0000 1 136 22 22 LEU CA C 57.4590 0.0000 1 137 22 22 LEU CB C 41.7170 0.0000 1 138 22 22 LEU N N 119.9720 0.0000 1 139 23 23 ILE H H 6.9500 0.0000 1 140 23 23 ILE HA H 4.6510 0.0000 1 141 23 23 ILE HB H 1.8610 0.0000 1 142 23 23 ILE HG12 H 1.3420 0.0000 2 143 23 23 ILE HG13 H 1.1420 0.0000 2 144 23 23 ILE HG2 H 1.0870 0.0000 1 145 23 23 ILE HD1 H 0.4460 0.0000 1 146 23 23 ILE CA C 61.6700 0.0000 1 147 23 23 ILE CB C 40.9180 0.0000 1 148 23 23 ILE CG1 C 24.4850 0.0000 1 149 23 23 ILE CG2 C 22.6520 0.0000 1 150 23 23 ILE CD1 C 13.6200 0.0000 1 151 23 23 ILE N N 102.3000 0.0000 1 152 24 24 GLU H H 9.0700 0.0000 1 153 24 24 GLU HA H 4.1250 0.0000 1 154 24 24 GLU HB2 H 2.1880 0.0000 2 155 24 24 GLU HB3 H 2.0530 0.0000 2 156 24 24 GLU HG2 H 2.4450 0.0000 2 157 24 24 GLU HG3 H 2.3030 0.0000 2 158 24 24 GLU CA C 59.9550 0.0000 1 159 24 24 GLU CB C 28.3440 0.0000 1 160 24 24 GLU CG C 36.4660 0.0000 1 161 24 24 GLU N N 124.9700 0.0000 1 162 25 25 ALA H H 7.9850 0.0000 1 163 25 25 ALA HA H 4.3860 0.0000 1 164 25 25 ALA HB H 1.3380 0.0000 1 165 25 25 ALA CA C 51.1710 0.0000 1 166 25 25 ALA CB C 18.4540 0.0000 1 167 25 25 ALA N N 116.5660 0.0000 1 168 26 26 SER H H 7.1500 0.0000 1 169 26 26 SER CA C 55.0660 0.0000 1 170 26 26 SER CB C 63.0700 0.0000 1 171 26 26 SER N N 113.6980 0.0000 1 172 27 27 PRO CA C 62.5880 0.0000 1 173 27 27 PRO CB C 29.3230 0.0000 1 174 28 28 ILE H H 8.1870 0.0000 1 175 28 28 ILE HA H 4.3040 0.0000 1 176 28 28 ILE HB H 1.8250 0.0000 1 177 28 28 ILE HG12 H 1.6530 0.0000 2 178 28 28 ILE HG13 H 1.3750 0.0000 2 179 28 28 ILE HG2 H 0.8890 0.0000 1 180 28 28 ILE HD1 H 0.7230 0.0000 1 181 28 28 ILE CA C 59.2640 0.0000 1 182 28 28 ILE CB C 38.3790 0.0000 1 183 28 28 ILE CG1 C 27.8540 0.0000 1 184 28 28 ILE CG2 C 14.3180 0.0000 1 185 28 28 ILE CD1 C 13.4400 0.0000 1 186 28 28 ILE N N 120.2480 0.0000 1 187 29 29 ALA H H 8.7760 0.0000 1 188 29 29 ALA HA H 4.3650 0.0000 1 189 29 29 ALA HB H 1.8710 0.0000 1 190 29 29 ALA CA C 53.6970 0.0000 1 191 29 29 ALA CB C 18.4900 0.0000 1 192 29 29 ALA N N 132.4920 0.0000 1 193 30 30 SER H H 8.3660 0.0000 1 194 30 30 SER HA H 4.3800 0.0000 1 195 30 30 SER CA C 53.6860 0.0000 1 196 30 30 SER CB C 67.2740 0.0000 1 197 30 30 SER N N 116.8470 0.0000 1 198 31 31 VAL H H 7.4640 0.0000 1 199 31 31 VAL HA H 5.0070 0.0000 1 200 31 31 VAL HB H 2.0810 0.0000 1 201 31 31 VAL HG1 H 0.4060 0.0000 2 202 31 31 VAL HG2 H 0.2150 0.0000 2 203 31 31 VAL CA C 57.6810 0.0000 1 204 31 31 VAL CB C 35.2160 0.0000 1 205 31 31 VAL CG1 C 22.6550 0.0000 2 206 31 31 VAL CG2 C 20.1540 0.0000 2 207 31 31 VAL N N 121.2190 0.0000 1 208 32 32 VAL H H 8.0740 0.0000 1 209 32 32 VAL HA H 5.5230 0.0000 1 210 32 32 VAL HB H 1.4380 0.0000 1 211 32 32 VAL HG1 H 0.8670 0.0000 2 212 32 32 VAL HG2 H 0.8030 0.0000 2 213 32 32 VAL CA C 59.9640 0.0000 1 214 32 32 VAL CB C 35.9630 0.0000 1 215 32 32 VAL CG1 C 23.0800 0.0000 2 216 32 32 VAL CG2 C 21.8700 0.0000 2 217 32 32 VAL N N 117.9610 0.0000 1 218 33 33 SER H H 10.1160 0.0000 1 219 33 33 SER HA H 5.4340 0.0000 1 220 33 33 SER CA C 57.3120 0.0000 1 221 33 33 SER CB C 67.0490 0.0000 1 222 33 33 SER N N 125.2210 0.0000 1 223 34 34 ASP H H 7.5530 0.0000 1 224 34 34 ASP HA H 5.5250 0.0000 1 225 34 34 ASP CA C 48.9660 0.0000 1 226 34 34 ASP CB C 43.8400 0.0000 1 227 34 34 ASP N N 117.7520 0.0000 1 228 35 35 PRO CA C 63.2960 0.0000 1 229 36 36 ARG H H 8.8280 0.0000 1 230 36 36 ARG CA C 57.1690 0.0000 1 231 36 36 ARG N N 121.0030 0.0000 1 232 37 37 LEU H H 7.4150 0.0000 1 233 37 37 LEU CA C 52.7940 0.0000 1 234 37 37 LEU CB C 41.7780 0.0000 1 235 37 37 LEU CD1 C 26.0820 0.0000 2 236 37 37 LEU CD2 C 22.4080 0.0000 2 237 37 37 LEU N N 121.3140 0.0000 1 238 38 38 ALA H H 8.2870 0.0000 1 239 38 38 ALA HA H 4.4830 0.0000 1 240 38 38 ALA HB H 1.2730 0.0000 1 241 38 38 ALA CA C 53.3410 0.0000 1 242 38 38 ALA CB C 17.0960 0.0000 1 243 38 38 ALA N N 124.1960 0.0000 1 244 39 39 ASP H H 8.7610 0.0000 1 245 39 39 ASP HA H 4.2550 0.0000 1 246 39 39 ASP HB2 H 3.0660 0.0000 2 247 39 39 ASP HB3 H 2.2440 0.0000 2 248 39 39 ASP CA C 54.1720 0.0000 1 249 39 39 ASP CB C 41.6620 0.0000 1 250 39 39 ASP N N 118.6770 0.0000 1 251 40 40 ASN H H 8.0980 0.0000 1 252 40 40 ASN N N 114.7850 0.0000 1 253 41 41 PRO CA C 55.8550 0.0000 1 254 41 41 PRO CB C 28.9810 0.0000 1 255 42 42 LEU H H 8.1120 0.0000 1 256 42 42 LEU CA C 54.5950 0.0000 1 257 42 42 LEU N N 114.9630 0.0000 1 258 43 43 ILE H H 9.5350 0.0000 1 259 43 43 ILE HD1 H 0.9320 0.0000 1 260 43 43 ILE CA C 60.1540 0.0000 1 261 43 43 ILE CB C 39.1510 0.0000 1 262 43 43 ILE CD1 C 15.2940 0.0000 1 263 43 43 ILE N N 113.6080 0.0000 1 264 44 44 ALA H H 7.4680 0.0000 1 265 44 44 ALA HA H 4.4280 0.0000 1 266 44 44 ALA CA C 51.9630 0.0000 1 267 44 44 ALA CB C 21.6160 0.0000 1 268 44 44 ALA N N 121.0510 0.0000 1 269 45 45 ILE H H 8.3520 0.0000 1 270 45 45 ILE HA H 4.9290 0.0000 1 271 45 45 ILE CA C 59.2410 0.0000 1 272 45 45 ILE CB C 41.1630 0.0000 1 273 45 45 ILE CD1 C 15.1190 0.0000 1 274 45 45 ILE N N 112.2270 0.0000 1 275 46 46 ASN H H 7.8920 0.0000 1 276 46 46 ASN CA C 49.2820 0.0000 1 277 46 46 ASN CB C 39.7360 0.0000 1 278 46 46 ASN N N 118.3440 0.0000 1 279 47 47 GLN H H 8.8990 0.0000 1 280 47 47 GLN HA H 4.0330 0.0000 1 281 47 47 GLN HB2 H 2.2680 0.0000 2 282 47 47 GLN HB3 H 1.9350 0.0000 2 283 47 47 GLN HG2 H 33.5990 0.0000 2 284 47 47 GLN CA C 57.9110 0.0000 1 285 47 47 GLN CB C 27.5100 0.0000 1 286 47 47 GLN CG C 33.5540 0.0000 1 287 47 47 GLN N N 119.9460 0.0000 1 288 48 48 ALA H H 8.0680 0.0000 1 289 48 48 ALA HA H 4.2440 0.0000 1 290 48 48 ALA HB H 1.3260 0.0000 1 291 48 48 ALA CA C 54.3660 0.0000 1 292 48 48 ALA CB C 16.6990 0.0000 1 293 48 48 ALA N N 119.1910 0.0000 1 294 49 49 PHE H H 8.4210 0.0000 1 295 49 49 PHE HA H 4.3660 0.0000 1 296 49 49 PHE HB2 H 3.6830 0.0000 2 297 49 49 PHE HB3 H 3.6610 0.0000 2 298 49 49 PHE CA C 62.7470 0.0000 1 299 49 49 PHE CB C 39.0550 0.0000 1 300 49 49 PHE N N 122.6110 0.0000 1 301 50 50 THR H H 7.7420 0.0000 1 302 50 50 THR HA H 4.1950 0.0000 1 303 50 50 THR HB H 4.2070 0.0000 1 304 50 50 THR HG2 H 1.0200 0.0000 1 305 50 50 THR CA C 66.1420 0.0000 1 306 50 50 THR CB C 68.4600 0.0000 1 307 50 50 THR CG2 C 22.1300 0.0000 1 308 50 50 THR N N 123.8640 0.0000 1 309 51 51 ASP H H 8.8210 0.0000 1 310 51 51 ASP HA H 4.1540 0.0000 1 311 51 51 ASP HB2 H 2.6430 0.0000 2 312 51 51 ASP CA C 57.0470 0.0000 1 313 51 51 ASP CB C 39.4720 0.0000 1 314 51 51 ASP N N 123.1430 0.0000 1 315 53 53 THR CB C 67.2520 0.0000 1 316 54 54 GLY H H 9.4050 0.0000 1 317 54 54 GLY CA C 44.6400 0.0000 1 318 54 54 GLY N N 113.1060 0.0000 1 319 55 55 TYR H H 7.6430 0.0000 1 320 55 55 TYR CA C 58.4290 0.0000 1 321 55 55 TYR CB C 39.2830 0.0000 1 322 55 55 TYR N N 118.6530 0.0000 1 323 56 56 SER H H 9.3340 0.0000 1 324 56 56 SER CA C 56.8130 0.0000 1 325 56 56 SER CB C 64.8920 0.0000 1 326 56 56 SER N N 119.2640 0.0000 1 327 57 57 GLU H H 9.2610 0.0000 1 328 57 57 GLU HA H 3.6900 0.0000 1 329 57 57 GLU HB2 H 2.0510 0.0000 2 330 57 57 GLU HB3 H 2.0320 0.0000 2 331 57 57 GLU HG2 H 2.2380 0.0000 2 332 57 57 GLU HG3 H 2.1720 0.0000 2 333 57 57 GLU CA C 60.6100 0.0000 1 334 57 57 GLU CB C 28.7220 0.0000 1 335 57 57 GLU CG C 36.4370 0.0000 1 336 57 57 GLU N N 123.2100 0.0000 1 337 58 58 GLU H H 9.0190 0.0000 1 338 58 58 GLU HA H 4.0240 0.0000 1 339 58 58 GLU HB2 H 2.0190 0.0000 2 340 58 58 GLU HB3 H 1.9480 0.0000 2 341 58 58 GLU HG2 H 2.2520 0.0000 2 342 58 58 GLU CA C 58.5470 0.0000 1 343 58 58 GLU CB C 28.0010 0.0000 1 344 58 58 GLU CG C 36.3860 0.0000 1 345 58 58 GLU N N 117.2820 0.0000 1 346 59 59 GLU H H 7.4320 0.0000 1 347 59 59 GLU HA H 4.1210 0.0000 1 348 59 59 GLU HB2 H 2.3520 0.0000 2 349 59 59 GLU HB3 H 2.0090 0.0000 2 350 59 59 GLU HG2 H 2.2900 0.0000 2 351 59 59 GLU CA C 56.5000 0.0000 1 352 59 59 GLU CB C 30.4230 0.0000 1 353 59 59 GLU CG C 36.3760 0.0000 1 354 59 59 GLU N N 116.1590 0.0000 1 355 60 60 CYS H H 7.4330 0.0000 1 356 60 60 CYS CA C 59.5580 0.0000 1 357 60 60 CYS CB C 30.1920 0.0000 1 358 60 60 CYS N N 114.2760 0.0000 1 359 61 61 VAL H H 7.8560 0.0000 1 360 61 61 VAL CA C 64.7440 0.0000 1 361 61 61 VAL CB C 30.3890 0.0000 1 362 61 61 VAL N N 117.8250 0.0000 1 363 63 63 ARG CA C 53.9570 0.0000 1 364 63 63 ARG CB C 32.1370 0.0000 1 365 64 64 ASN H H 8.9270 0.0000 1 366 64 64 ASN CA C 54.3170 0.0000 1 367 64 64 ASN CB C 39.7910 0.0000 1 368 64 64 ASN N N 121.9110 0.0000 1 369 65 65 CYS H H 8.0390 0.0000 1 370 65 65 CYS CA C 60.0700 0.0000 1 371 65 65 CYS N N 124.0920 0.0000 1 372 66 66 ARG H H 8.6320 0.0000 1 373 66 66 ARG CA C 57.4030 0.0000 1 374 66 66 ARG CB C 29.1890 0.0000 1 375 66 66 ARG N N 119.2040 0.0000 1 376 67 67 PHE H H 6.7700 0.0000 1 377 67 67 PHE HA H 4.5550 0.0000 1 378 67 67 PHE HB2 H 3.2720 0.0000 2 379 67 67 PHE HB3 H 2.8880 0.0000 2 380 67 67 PHE CA C 58.3110 0.0000 1 381 67 67 PHE CB C 36.8700 0.0000 1 382 67 67 PHE N N 117.8220 0.0000 1 383 68 68 LEU H H 6.8110 0.0000 1 384 68 68 LEU HA H 4.4450 0.0000 1 385 68 68 LEU HG H 1.1810 0.0000 1 386 68 68 LEU HD1 H 1.0830 0.0000 2 387 68 68 LEU HD2 H 0.7750 0.0000 2 388 68 68 LEU CA C 55.7680 0.0000 1 389 68 68 LEU CB C 42.0130 0.0000 1 390 68 68 LEU CG C 26.6350 0.0000 1 391 68 68 LEU CD1 C 23.4510 0.0000 2 392 68 68 LEU CD2 C 26.1500 0.0000 2 393 68 68 LEU N N 120.5730 0.0000 1 394 69 69 ALA H H 7.7680 0.0000 1 395 69 69 ALA CA C 50.9310 0.0000 1 396 69 69 ALA CB C 19.4040 0.0000 1 397 69 69 ALA N N 120.7490 0.0000 1 398 70 70 GLY H H 8.9410 0.0000 1 399 70 70 GLY CA C 45.2940 0.0000 1 400 70 70 GLY N N 105.9510 0.0000 1 401 71 71 SER H H 8.6980 0.0000 1 402 71 71 SER CA C 61.4870 0.0000 1 403 71 71 SER CB C -939.2800 0.0000 1 404 71 71 SER N N 118.8980 0.0000 1 405 72 72 GLY H H 8.4960 0.0000 1 406 72 72 GLY CA C 44.4360 0.0000 1 407 72 72 GLY N N 108.0360 0.0000 1 408 73 73 THR H H 7.7440 0.0000 1 409 73 73 THR CA C 64.6420 0.0000 1 410 73 73 THR CB C 68.4680 0.0000 1 411 73 73 THR N N 119.3000 0.0000 1 412 74 74 GLU H H 10.7100 0.0000 1 413 74 74 GLU CA C 55.9210 0.0000 1 414 74 74 GLU CB C 25.8950 0.0000 1 415 74 74 GLU N N 134.5920 0.0000 1 416 76 76 TRP H H 7.0930 0.0000 1 417 76 76 TRP HA H 4.2710 0.0000 1 418 76 76 TRP HB2 H 3.6830 0.0000 2 419 76 76 TRP HB3 H 2.3330 0.0000 2 420 76 76 TRP CA C 51.6370 0.0000 1 421 76 76 TRP CB C 27.7940 0.0000 1 422 76 76 TRP N N 112.8880 0.0000 1 423 77 77 LEU H H 6.3840 0.0000 1 424 77 77 LEU HA H 4.3000 0.0000 1 425 77 77 LEU HD1 H 0.8070 0.0000 2 426 77 77 LEU HD2 H 0.8320 0.0000 2 427 77 77 LEU CA C 56.7690 0.0000 1 428 77 77 LEU CD1 C 25.5600 0.0000 2 429 77 77 LEU CD2 C 22.2000 0.0000 2 430 77 77 LEU N N 122.7850 0.0000 1 431 78 78 THR H H 8.0780 0.0000 1 432 78 78 THR HA H 4.2710 0.0000 1 433 78 78 THR HB H 4.0800 0.0000 1 434 78 78 THR HG2 H 1.1790 0.0000 1 435 78 78 THR CA C 65.3740 0.0000 1 436 78 78 THR CB C 68.0740 0.0000 1 437 78 78 THR CG2 C 23.4760 0.0000 1 438 78 78 THR N N 120.7760 0.0000 1 439 79 79 ASP H H 8.2860 0.0000 1 440 79 79 ASP HA H 4.4290 0.0000 1 441 79 79 ASP HB2 H 2.7350 0.0000 2 442 79 79 ASP HB3 H 2.5980 0.0000 2 443 79 79 ASP CA C 57.7560 0.0000 1 444 79 79 ASP CB C 17.1450 0.0000 1 445 79 79 ASP N N 118.5460 0.0000 1 446 80 80 LYS H H 7.1400 0.0000 1 447 80 80 LYS HA H 4.0480 0.0000 1 448 80 80 LYS HB2 H 2.0580 0.0000 2 449 80 80 LYS HB3 H 1.7630 0.0000 2 450 80 80 LYS CA C 59.5480 0.0000 1 451 80 80 LYS CB C 32.1620 0.0000 1 452 80 80 LYS N N 118.8090 0.0000 1 453 81 81 ILE H H 7.4880 0.0000 1 454 81 81 ILE HA H 3.4880 0.0000 1 455 81 81 ILE HB H 1.8810 0.0000 1 456 81 81 ILE HG12 H 1.1840 0.0000 2 457 81 81 ILE HG2 H 0.4280 0.0000 1 458 81 81 ILE HD1 H 0.3530 0.0000 1 459 81 81 ILE CA C 66.1230 0.0000 1 460 81 81 ILE CB C 66.1230 0.0000 1 461 81 81 ILE CG1 C 23.4530 0.0000 1 462 81 81 ILE CG2 C 17.7350 0.0000 1 463 81 81 ILE CD1 C 13.5560 0.0000 1 464 81 81 ILE N N 120.0180 0.0000 1 465 82 82 ARG H H 8.4260 0.0000 1 466 82 82 ARG HA H 3.7760 0.0000 1 467 82 82 ARG CA C 59.4320 0.0000 1 468 82 82 ARG N N 118.5820 0.0000 1 469 83 83 GLN H H 8.3290 0.0000 1 470 83 83 GLN HA H 3.9360 0.0000 1 471 83 83 GLN HB2 H 2.0750 0.0000 2 472 83 83 GLN CA C 58.3120 0.0000 1 473 83 83 GLN CB C 27.2270 0.0000 1 474 83 83 GLN N N 117.7130 0.0000 1 475 84 84 GLY H H 7.9250 0.0000 1 476 84 84 GLY HA2 H 3.8500 0.0000 2 477 84 84 GLY HA3 H 3.7170 0.0000 2 478 84 84 GLY CA C 47.3510 0.0000 1 479 84 84 GLY N N 108.6780 0.0000 1 480 85 85 VAL H H 8.1000 0.0000 1 481 85 85 VAL HG1 H 0.3650 0.0000 2 482 85 85 VAL HG2 H 0.2690 0.0000 2 483 85 85 VAL CA C 64.8610 0.0000 1 484 85 85 VAL CG1 C 22.6630 0.0000 2 485 85 85 VAL CG2 C 20.3680 0.0000 2 486 85 85 VAL N N 122.2280 0.0000 1 487 86 86 ARG H H 8.0500 0.0000 1 488 86 86 ARG HA H 4.0470 0.0000 1 489 86 86 ARG HB2 H 1.9030 0.0000 2 490 86 86 ARG CA C 59.0080 0.0000 1 491 86 86 ARG CB C 30.5670 0.0000 1 492 86 86 ARG N N 119.9760 0.0000 1 493 87 87 GLU H H 8.4110 0.0000 1 494 87 87 GLU HA H 4.1220 0.0000 1 495 87 87 GLU HB2 H 2.1180 0.0000 2 496 87 87 GLU HG2 H 2.4440 0.0000 2 497 87 87 GLU HG3 H 2.2220 0.0000 2 498 87 87 GLU CA C 55.8550 0.0000 1 499 87 87 GLU CB C 28.9810 0.0000 1 500 87 87 GLU CG C 36.6980 0.0000 1 501 87 87 GLU N N 114.2160 0.0000 1 502 88 88 HIS H H 8.1120 0.0000 1 503 88 88 HIS HA H 4.1210 0.0000 1 504 88 88 HIS HB2 H 3.9290 0.0000 2 505 88 88 HIS HB3 H 3.0700 0.0000 2 506 88 88 HIS CA C 54.5710 0.0000 1 507 88 88 HIS CB C 26.3590 0.0000 1 508 88 88 HIS N N 114.9630 0.0000 1 509 89 89 LYS H H 9.1040 0.0000 1 510 89 89 LYS HA H 5.0360 0.0000 1 511 89 89 LYS HB2 H 1.8150 0.0000 2 512 89 89 LYS HB3 H 1.6190 0.0000 2 513 89 89 LYS CA C 53.1580 0.0000 1 514 89 89 LYS CB C 35.7020 0.0000 1 515 89 89 LYS N N 119.6110 0.0000 1 516 90 90 PRO HA H 5.1130 0.0000 1 517 90 90 PRO CA C 61.9430 0.0000 1 518 90 90 PRO CB C 32.1040 0.0000 1 519 91 91 VAL H H 8.7290 0.0000 1 520 91 91 VAL HA H 4.3170 0.0000 1 521 91 91 VAL HB H 1.8070 0.0000 1 522 91 91 VAL HG1 H 0.8210 0.0000 2 523 91 91 VAL CA C 59.6670 0.0000 1 524 91 91 VAL CB C 35.2010 0.0000 1 525 91 91 VAL CG1 C 21.2000 0.0000 2 526 91 91 VAL N N 120.1720 0.0000 1 527 92 92 LEU H H 8.0790 0.0000 1 528 92 92 LEU HA H 5.7190 0.0000 1 529 92 92 LEU HB2 H 1.6060 0.0000 2 530 92 92 LEU HB3 H 1.0940 0.0000 2 531 92 92 LEU HG H 1.2550 0.0000 1 532 92 92 LEU HD1 H 0.8040 0.0000 2 533 92 92 LEU HD2 H 0.6320 0.0000 2 534 92 92 LEU CA C 53.4130 0.0000 1 535 92 92 LEU CB C 44.4650 0.0000 1 536 92 92 LEU CG C 28.1980 0.0000 1 537 92 92 LEU CD1 C 25.4920 0.0000 2 538 92 92 LEU CD2 C 24.5040 0.0000 2 539 92 92 LEU N N 127.9560 0.0000 1 540 93 93 VAL H H 8.5570 0.0000 1 541 93 93 VAL HA H 4.6260 0.0000 1 542 93 93 VAL HB H 1.9100 0.0000 1 543 93 93 VAL HG1 H 0.8210 0.0000 2 544 93 93 VAL HG2 H 0.5850 0.0000 2 545 93 93 VAL CA C 58.0620 0.0000 1 546 93 93 VAL CB C 35.9480 0.0000 1 547 93 93 VAL CG1 C 22.5360 0.0000 2 548 93 93 VAL CG2 C 19.3920 0.0000 2 549 93 93 VAL N N 119.0400 0.0000 1 550 94 94 GLU H H 8.2900 0.0000 1 551 94 94 GLU HA H 5.0720 0.0000 1 552 94 94 GLU HB2 H 1.9190 0.0000 2 553 94 94 GLU HB3 H 1.4670 0.0000 2 554 94 94 GLU HG2 H 2.0560 0.0000 2 555 94 94 GLU HG3 H 1.8260 0.0000 2 556 94 94 GLU CA C 54.4410 0.0000 1 557 94 94 GLU CB C 28.3370 0.0000 1 558 94 94 GLU CG C 36.5070 0.0000 1 559 94 94 GLU N N 120.4330 0.0000 1 560 95 95 ILE H H 9.0050 0.0000 1 561 95 95 ILE HA H 4.4060 0.0000 1 562 95 95 ILE HB H 1.1720 0.0000 1 563 95 95 ILE HG12 H 0.5880 0.0000 2 564 95 95 ILE HG2 H 0.7680 0.0000 1 565 95 95 ILE HD1 H 0.5830 0.0000 1 566 95 95 ILE CA C 58.8660 0.0000 1 567 95 95 ILE CB C 44.1520 0.0000 1 568 95 95 ILE CG1 C 19.5760 0.0000 1 569 95 95 ILE CG2 C 14.7650 0.0000 1 570 95 95 ILE CD1 C 14.8370 0.0000 1 571 95 95 ILE N N 126.6220 0.0000 1 572 96 96 LEU H H 9.7740 0.0000 1 573 96 96 LEU HA H 4.2830 0.0000 1 574 96 96 LEU HB2 H 1.6590 0.0000 2 575 96 96 LEU HB3 H 1.3540 0.0000 2 576 96 96 LEU HG H 1.0820 0.0000 1 577 96 96 LEU HD1 H 0.6340 0.0000 2 578 96 96 LEU HD2 H 0.5380 0.0000 2 579 96 96 LEU CA C 55.6360 0.0000 1 580 96 96 LEU CB C 40.2330 0.0000 1 581 96 96 LEU CG C 27.0400 0.0000 1 582 96 96 LEU CD1 C 25.2550 0.0000 2 583 96 96 LEU CD2 C 23.4400 0.0000 2 584 96 96 LEU N N 131.7140 0.0000 1 585 97 97 ASN H H 9.0120 0.0000 1 586 97 97 ASN HA H 4.8690 0.0000 1 587 97 97 ASN HB2 H 2.7450 0.0000 2 588 97 97 ASN HB3 H 2.7150 0.0000 2 589 97 97 ASN CA C 50.3510 0.0000 1 590 97 97 ASN CB C 45.5420 0.0000 1 591 97 97 ASN N N 133.8860 0.0000 1 592 98 98 TYR H H 8.9530 0.0000 1 593 98 98 TYR HA H 5.2370 0.0000 1 594 98 98 TYR HB2 H 2.7320 0.0000 2 595 98 98 TYR HB3 H 2.5730 0.0000 2 596 98 98 TYR CA C 57.4610 0.0000 1 597 98 98 TYR CB C 41.1170 0.0000 1 598 98 98 TYR N N 115.0230 0.0000 1 599 99 99 LYS H H 8.9840 0.0000 1 600 99 99 LYS HA H 4.3250 0.0000 1 601 99 99 LYS CA C 56.1760 0.0000 1 602 99 99 LYS N N 122.8570 0.0000 1 603 100 100 LYS H H 8.6610 0.0000 1 604 100 100 LYS HA H 3.7270 0.0000 1 605 100 100 LYS CA C 59.3450 0.0000 1 606 100 100 LYS CB C 31.4300 0.0000 1 607 100 100 LYS N N 123.1190 0.0000 1 608 101 101 ASP H H 7.9000 0.0000 1 609 101 101 ASP HA H 4.3120 0.0000 1 610 101 101 ASP CA C 53.0990 0.0000 1 611 101 101 ASP CB C 38.9640 0.0000 1 612 101 101 ASP N N 114.3330 0.0000 1 613 102 102 GLY H H 8.3140 0.0000 1 614 102 102 GLY HA2 H 4.3700 0.0000 2 615 102 102 GLY HA3 H 3.7310 0.0000 2 616 102 102 GLY CA C 44.3480 0.0000 1 617 102 102 GLY N N 108.7620 0.0000 1 618 103 103 THR H H 8.2190 0.0000 1 619 103 103 THR CA C 61.9280 0.0000 1 620 103 103 THR CB C 69.3090 0.0000 1 621 103 103 THR N N 119.0920 0.0000 1 622 104 104 PRO HA H 4.8600 0.0000 1 623 104 104 PRO CA C 60.8850 0.0000 1 624 104 104 PRO CB C 31.3940 0.0000 1 625 105 105 PHE H H 9.2630 0.0000 1 626 105 105 PHE HA H 4.6930 0.0000 1 627 105 105 PHE CA C 55.4270 0.0000 1 628 105 105 PHE CB C 41.1260 0.0000 1 629 105 105 PHE N N 119.8770 0.0000 1 630 106 106 ARG H H 9.1580 0.0000 1 631 106 106 ARG HA H 4.0140 0.0000 1 632 106 106 ARG HB2 H 2.0780 0.0000 2 633 106 106 ARG HB3 H 1.6290 0.0000 2 634 106 106 ARG CA C 54.0320 0.0000 1 635 106 106 ARG CB C 26.4000 0.0000 1 636 106 106 ARG N N 124.9470 0.0000 1 637 107 107 ASN H H 8.9470 0.0000 1 638 107 107 ASN HA H 4.9280 0.0000 1 639 107 107 ASN HB2 H 2.7540 0.0000 2 640 107 107 ASN HB3 H 1.6430 0.0000 2 641 107 107 ASN CA C 50.2880 0.0000 1 642 107 107 ASN CB C 40.4260 0.0000 1 643 107 107 ASN N N 128.4950 0.0000 1 644 108 108 ALA H H 9.5810 0.0000 1 645 108 108 ALA HA H 4.9690 0.0000 1 646 108 108 ALA HB H 1.1410 0.0000 1 647 108 108 ALA CA C 50.4830 0.0000 1 648 108 108 ALA CB C 15.7370 0.0000 1 649 108 108 ALA N N 129.0420 0.0000 1 650 109 109 VAL H H 8.9980 0.0000 1 651 109 109 VAL HA H 5.1380 0.0000 1 652 109 109 VAL HB H 1.7670 0.0000 1 653 109 109 VAL HG1 H 0.6070 0.0000 2 654 109 109 VAL HG2 H 0.4550 0.0000 2 655 109 109 VAL CA C 58.5190 0.0000 1 656 109 109 VAL CB C 32.9140 0.0000 1 657 109 109 VAL CG1 C 22.8690 0.0000 2 658 109 109 VAL CG2 C 20.9170 0.0000 2 659 109 109 VAL N N 130.3360 0.0000 1 660 110 110 LEU H H 8.6780 0.0000 1 661 110 110 LEU HA H 5.2990 0.0000 1 662 110 110 LEU CA C 51.7030 0.0000 1 663 110 110 LEU CB C 43.9670 0.0000 1 664 110 110 LEU N N 127.9870 0.0000 1 665 111 111 VAL H H 8.5750 0.0000 1 666 111 111 VAL HA H 4.8800 0.0000 1 667 111 111 VAL HB H 1.3480 0.0000 1 668 111 111 VAL HG1 H 0.1900 0.0000 2 669 111 111 VAL HG2 H 0.8430 0.0000 2 670 111 111 VAL CA C 61.1410 0.0000 1 671 111 111 VAL CB C 32.7890 0.0000 1 672 111 111 VAL CG1 C 21.5400 0.0000 2 673 111 111 VAL CG2 C 21.2540 0.0000 2 674 111 111 VAL N N 123.3070 0.0000 1 675 112 112 ALA H H 9.7010 0.0000 1 676 112 112 ALA HA H 5.0170 0.0000 1 677 112 112 ALA HB H 1.2500 0.0000 1 678 112 112 ALA CA C 48.8020 0.0000 1 679 112 112 ALA CB C 20.5750 0.0000 1 680 112 112 ALA N N 129.0430 0.0000 1 681 114 114 ILE CD1 C 18.8810 0.0000 1 682 115 115 TYR H H 8.3720 0.0000 1 683 115 115 TYR N N 110.8640 0.0000 1 684 123 123 TYR CA C 56.6010 0.0000 1 685 123 123 TYR CB C 40.6480 0.0000 1 686 124 124 PHE H H 7.9670 0.0000 1 687 124 124 PHE HA H 5.1990 0.0000 1 688 124 124 PHE CA C 58.0660 0.0000 1 689 124 124 PHE CB C 40.8810 0.0000 1 690 124 124 PHE N N 112.8430 0.0000 1 691 125 125 LEU H H 9.3540 0.0000 1 692 125 125 LEU HA H 5.1100 0.0000 1 693 125 125 LEU HB2 H 1.8100 0.0000 2 694 125 125 LEU HB3 H 1.4320 0.0000 2 695 125 125 LEU HG H 2.1450 0.0000 1 696 125 125 LEU HD1 H 0.9720 0.0000 2 697 125 125 LEU CA C 52.6720 0.0000 1 698 125 125 LEU CB C 45.6720 0.0000 1 699 125 125 LEU CG C 21.2070 0.0000 1 700 125 125 LEU CD1 C 23.2630 0.0000 2 701 125 125 LEU CD2 C 26.9650 0.0000 2 702 125 125 LEU N N 124.6460 0.0000 1 703 126 126 GLY H H 9.3420 0.0000 1 704 126 126 GLY HA2 H 6.0700 0.0000 2 705 126 126 GLY HA3 H 3.4600 0.0000 2 706 126 126 GLY CA C 44.1980 0.0000 1 707 126 126 GLY N N 113.3450 0.0000 1 708 127 127 SER H H 9.1840 0.0000 1 709 127 127 SER HA H 5.7370 0.0000 1 710 127 127 SER CA C 56.0750 0.0000 1 711 127 127 SER CB C 65.5350 0.0000 1 712 127 127 SER N N 115.8520 0.0000 1 713 128 128 GLN H H 8.6510 0.0000 1 714 128 128 GLN HA H 4.8570 0.0000 1 715 128 128 GLN CA C 57.9530 0.0000 1 716 128 128 GLN CB C 28.5930 0.0000 1 717 128 128 GLN N N 124.7950 0.0000 1 718 129 129 VAL H H 7.6030 0.0000 1 719 129 129 VAL HA H 4.0950 0.0000 1 720 129 129 VAL HB H 1.9310 0.0000 1 721 129 129 VAL HG1 H 0.8670 0.0000 2 722 129 129 VAL HG2 H 0.8440 0.0000 2 723 129 129 VAL CA C 60.7400 0.0000 1 724 129 129 VAL CB C 36.4830 0.0000 1 725 129 129 VAL CG1 C 21.9160 0.0000 2 726 129 129 VAL CG2 C 20.7980 0.0000 2 727 129 129 VAL N N 121.8340 0.0000 1 728 130 130 GLU H H 8.6950 0.0000 1 729 130 130 GLU HA H 4.8680 0.0000 1 730 130 130 GLU CA C 56.1250 0.0000 1 731 130 130 GLU CB C 28.7070 0.0000 1 732 130 130 GLU N N 127.5940 0.0000 1 733 131 131 VAL H H 8.8420 0.0000 1 734 131 131 VAL HA H 4.3490 0.0000 1 735 131 131 VAL HB H 1.9360 0.0000 1 736 131 131 VAL HG1 H 0.7440 0.0000 2 737 131 131 VAL HG2 H 0.8340 0.0000 2 738 131 131 VAL CA C 60.2780 0.0000 1 739 131 131 VAL CB C 32.3560 0.0000 1 740 131 131 VAL CG1 C 20.3790 0.0000 2 741 131 131 VAL CG2 C 21.9160 0.0000 2 742 131 131 VAL N N 125.8670 0.0000 1 743 132 132 ASP H H 8.0730 0.0000 1 744 132 132 ASP HA H 4.6230 0.0000 1 745 132 132 ASP HB2 H 2.7760 0.0000 2 746 132 132 ASP HB3 H 2.6090 0.0000 2 747 132 132 ASP CA C 53.8290 0.0000 1 748 132 132 ASP CB C 41.3450 0.0000 1 749 132 132 ASP N N 125.0460 0.0000 1 750 133 133 ASP H H 8.7680 0.0000 1 751 133 133 ASP HA H 4.4670 0.0000 1 752 133 133 ASP HB2 H 2.6560 0.0000 2 753 133 133 ASP HB3 H 2.6210 0.0000 2 754 133 133 ASP CA C 55.5110 0.0000 1 755 133 133 ASP CB C 40.5840 0.0000 1 756 133 133 ASP N N 123.3160 0.0000 1 757 134 134 ASP H H 8.4890 0.0000 1 758 134 134 ASP HA H 4.5960 0.0000 1 759 134 134 ASP HB2 H 2.7130 0.0000 2 760 134 134 ASP CA C 54.2980 0.0000 1 761 134 134 ASP CB C 40.2090 0.0000 1 762 134 134 ASP N N 117.1600 0.0000 1 763 135 135 GLN H H 7.6730 0.0000 1 764 135 135 GLN HB2 H 2.1320 0.0000 2 765 135 135 GLN HB3 H 1.9260 0.0000 2 766 135 135 GLN HG2 H 2.3200 0.0000 2 767 135 135 GLN HG3 H 2.2460 0.0000 2 768 135 135 GLN CA C 53.0240 0.0000 1 769 135 135 GLN CB C 28.9590 0.0000 1 770 135 135 GLN CG C 33.5330 0.0000 1 771 135 135 GLN N N 118.4910 0.0000 1 772 144 144 GLU CA C 45.1660 0.0000 1 773 145 145 ARG H H 8.0880 0.0000 1 774 145 145 ARG CA C 58.4230 0.0000 1 775 145 145 ARG CB C 29.1440 0.0000 1 776 145 145 ARG N N 119.4390 0.0000 1 777 146 146 ALA H H 7.8270 0.0000 1 778 146 146 ALA HA H 4.0390 0.0000 1 779 146 146 ALA HB H 1.7160 0.0000 1 780 146 146 ALA CA C 55.0370 0.0000 1 781 146 146 ALA CB C 18.2600 0.0000 1 782 146 146 ALA N N 122.1480 0.0000 1 783 147 147 ALA H H 8.2360 0.0000 1 784 147 147 ALA HA H 3.9460 0.0000 1 785 147 147 ALA HB H 1.5560 0.0000 1 786 147 147 ALA CA C 54.9530 0.0000 1 787 147 147 ALA CB C 17.1400 0.0000 1 788 147 147 ALA N N 118.7000 0.0000 1 789 148 148 GLU H H 8.0370 0.0000 1 790 148 148 GLU CA C 58.6800 0.0000 1 791 148 148 GLU CB C 28.5290 0.0000 1 792 148 148 GLU N N 117.3500 0.0000 1 793 150 150 LEU CA C 57.0900 0.0000 1 794 150 150 LEU CB C 39.4900 0.0000 1 795 150 150 LEU CD1 C 26.1050 0.0000 2 796 150 150 LEU CD2 C 23.1160 0.0000 2 797 151 151 LYS H H 7.5000 0.0000 1 798 151 151 LYS HA H 4.1590 0.0000 1 799 151 151 LYS CA C 58.1080 0.0000 1 800 151 151 LYS CB C 31.6210 0.0000 1 801 151 151 LYS N N 117.1110 0.0000 1 802 152 152 THR H H 7.4020 0.0000 1 803 152 152 THR HA H 4.3160 0.0000 1 804 152 152 THR HB H 4.3550 0.0000 1 805 152 152 THR HG2 H 4.3570 0.0000 1 806 152 152 THR CA C 62.2180 0.0000 1 807 152 152 THR CB C 69.3530 0.0000 1 808 152 152 THR CG2 C 22.1850 0.0000 1 809 152 152 THR N N 107.1960 0.0000 1 810 153 153 LEU H H 7.2890 0.0000 1 811 153 153 LEU HA H 4.3580 0.0000 1 812 153 153 LEU HB2 H 1.9480 0.0000 2 813 153 153 LEU HB3 H 1.9140 0.0000 2 814 153 153 LEU CA C 53.9590 0.0000 1 815 153 153 LEU CB C 40.6570 0.0000 1 816 153 153 LEU CD1 C 26.4720 0.0000 2 817 153 153 LEU CD2 C 22.1120 0.0000 2 818 153 153 LEU N N 120.6340 0.0000 1 819 154 154 SER H H 8.3840 0.0000 1 820 154 154 SER CA C 56.2240 0.0000 1 821 154 154 SER CB C 62.0100 0.0000 1 822 154 154 SER N N 118.3460 0.0000 1 823 155 155 PRO CA C 56.5270 0.0000 1 824 156 156 ARG H H 8.1020 0.0000 1 825 156 156 ARG CA C 57.4170 0.0000 1 826 156 156 ARG CB C 28.3660 0.0000 1 827 156 156 ARG N N 121.4610 0.0000 1 828 157 157 GLN H H 7.4600 0.0000 1 829 157 157 GLN CA C 58.7110 0.0000 1 830 157 157 GLN CB C 27.3480 0.0000 1 831 157 157 GLN N N 117.4910 0.0000 1 832 158 158 LEU H H 8.9510 0.0000 1 833 158 158 LEU HA H 3.9590 0.0000 1 834 158 158 LEU CA C 58.2940 0.0000 1 835 158 158 LEU CD1 C 24.9100 0.0000 2 836 158 158 LEU CD2 C 23.9390 0.0000 2 837 158 158 LEU N N 123.5530 0.0000 1 838 159 159 GLU H H 8.1610 0.0000 1 839 159 159 GLU CA C 59.4570 0.0000 1 840 159 159 GLU CB C 29.2490 0.0000 1 841 159 159 GLU N N 121.9590 0.0000 1 842 160 160 VAL H H 7.8360 0.0000 1 843 160 160 VAL CA C 66.6570 0.0000 1 844 160 160 VAL CG1 C 21.1450 0.0000 2 845 160 160 VAL CG2 C 22.9930 0.0000 2 846 160 160 VAL N N 116.6380 0.0000 1 847 161 161 THR H H 7.9540 0.0000 1 848 161 161 THR CA C 68.2560 0.0000 1 849 161 161 THR CB C -939.2800 0.0000 1 850 161 161 THR N N 115.4950 0.0000 1 851 162 162 THR H H 8.4890 0.0000 1 852 162 162 THR CA C 66.1480 0.0000 1 853 162 162 THR CB C 68.4290 0.0000 1 854 162 162 THR N N 115.0230 0.0000 1 855 163 163 LEU H H 7.6830 0.0000 1 856 163 163 LEU HA H 4.1930 0.0000 1 857 163 163 LEU HB2 H 1.9620 0.0000 2 858 163 163 LEU HB3 H 1.4080 0.0000 2 859 163 163 LEU CA C 57.2680 0.0000 1 860 163 163 LEU CB C 18.8750 0.0000 1 861 163 163 LEU CD1 C 26.6830 0.0000 2 862 163 163 LEU CD2 C 22.2310 0.0000 2 863 163 163 LEU N N 121.3380 0.0000 1 864 164 164 VAL H H 8.5650 0.0000 1 865 164 164 VAL HA H 3.7820 0.0000 1 866 164 164 VAL HB H 2.1790 0.0000 1 867 164 164 VAL HG1 H 1.0170 0.0000 2 868 164 164 VAL HG2 H 0.8920 0.0000 2 869 164 164 VAL CA C 65.9970 0.0000 1 870 164 164 VAL CB C 31.9550 0.0000 1 871 164 164 VAL CG1 C 22.7650 0.0000 2 872 164 164 VAL CG2 C 20.7030 0.0000 2 873 164 164 VAL N N 121.4640 0.0000 1 874 165 165 ALA H H 8.3060 0.0000 1 875 165 165 ALA HA H 4.1160 0.0000 1 876 165 165 ALA HB H 1.4290 0.0000 1 877 165 165 ALA CA C 53.6080 0.0000 1 878 165 165 ALA CB C 18.3630 0.0000 1 879 165 165 ALA N N 121.5570 0.0000 1 880 166 166 SER H H 7.3750 0.0000 1 881 166 166 SER HA H 4.3310 0.0000 1 882 166 166 SER HB2 H 4.1200 0.0000 2 883 166 166 SER HB3 H 4.0600 0.0000 2 884 166 166 SER CA C 59.2880 0.0000 1 885 166 166 SER CB C 63.4490 0.0000 1 886 166 166 SER N N 109.6050 0.0000 1 887 167 167 GLY H H 8.1400 0.0000 1 888 167 167 GLY CA C 45.3570 0.0000 1 889 167 167 GLY N N 108.3780 0.0000 1 890 168 168 LEU H H 6.9350 0.0000 1 891 168 168 LEU CA C 54.0680 0.0000 1 892 168 168 LEU CB C 42.6130 0.0000 1 893 168 168 LEU CD1 C 25.7450 0.0000 2 894 168 168 LEU CD2 C 22.8660 0.0000 2 895 168 168 LEU N N 119.2070 0.0000 1 896 169 169 ARG H H 8.5380 0.0000 1 897 169 169 ARG CA C 55.3540 0.0000 1 898 169 169 ARG CB C 42.5800 0.0000 1 899 169 169 ARG N N 119.3280 0.0000 1 900 172 172 GLU H H 7.8770 0.0000 1 901 172 172 GLU N N 114.5390 0.0000 1 902 173 173 VAL H H 8.2980 0.0000 1 903 173 173 VAL CG1 C 22.9870 0.0000 2 904 173 173 VAL N N 108.9130 0.0000 1 905 174 174 ALA H H 8.1880 0.0000 1 906 174 174 ALA CA C 55.3760 0.0000 1 907 174 174 ALA CB C 16.6680 0.0000 1 908 174 174 ALA N N 119.2910 0.0000 1 909 175 175 ALA H H 7.4300 0.0000 1 910 175 175 ALA HA H 4.1100 0.0000 1 911 175 175 ALA HB H 1.4900 0.0000 1 912 175 175 ALA CA C 54.4010 0.0000 1 913 175 175 ALA CB C 18.1910 0.0000 1 914 175 175 ALA N N 118.5340 0.0000 1 915 176 176 ARG H H 7.9700 0.0000 1 916 176 176 ARG HA H 4.0230 0.0000 1 917 176 176 ARG HB2 H 1.8200 0.0000 2 918 176 176 ARG HB3 H 1.7040 0.0000 2 919 176 176 ARG HD2 H 3.1370 0.0000 2 920 176 176 ARG HD3 H 3.0510 0.0000 2 921 176 176 ARG CA C 57.8480 0.0000 1 922 176 176 ARG CB C 28.9720 0.0000 1 923 176 176 ARG CD C 18.9350 0.0000 1 924 176 176 ARG N N 117.1990 0.0000 1 925 177 177 LEU H H 7.6360 0.0000 1 926 177 177 LEU CA C 53.9400 0.0000 1 927 177 177 LEU CB C 41.9790 0.0000 1 928 177 177 LEU CD1 C 27.1610 0.0000 2 929 177 177 LEU CD2 C 21.8780 0.0000 2 930 177 177 LEU N N 114.3880 0.0000 1 931 178 178 GLY H H 7.8760 0.0000 1 932 178 178 GLY HA2 H 3.9260 0.0000 2 933 178 178 GLY HA3 H 3.8880 0.0000 2 934 178 178 GLY CA C 46.2690 0.0000 1 935 178 178 GLY N N 109.9590 0.0000 1 936 179 179 LEU H H 7.9960 0.0000 1 937 179 179 LEU HA H 3.9630 0.0000 1 938 179 179 LEU HB2 H 1.7540 0.0000 2 939 179 179 LEU HB3 H 1.5360 0.0000 2 940 179 179 LEU CA C 57.0130 0.0000 1 941 179 179 LEU CB C 39.3660 0.0000 1 942 179 179 LEU CD1 C 25.7170 0.0000 2 943 179 179 LEU CD2 C 22.4760 0.0000 2 944 179 179 LEU N N 118.5190 0.0000 1 945 180 180 SER H H 8.3350 0.0000 1 946 180 180 SER HA H 4.5990 0.0000 1 947 180 180 SER HB2 H 4.3000 0.0000 2 948 180 180 SER HB3 H 3.9980 0.0000 2 949 180 180 SER CA C 56.4990 0.0000 1 950 180 180 SER CB C 64.4240 0.0000 1 951 180 180 SER N N 113.8540 0.0000 1 952 181 181 GLU H H 9.2190 0.0000 1 953 181 181 GLU HA H 3.5900 0.0000 1 954 181 181 GLU HB2 H 1.9500 0.0000 2 955 181 181 GLU CA C 60.4430 0.0000 1 956 181 181 GLU CB C 28.7550 0.0000 1 957 181 181 GLU N N 122.7110 0.0000 1 958 182 182 LYS H H 8.3350 0.0000 1 959 182 182 LYS HA H 3.8930 0.0000 1 960 182 182 LYS HB2 H 1.8250 0.0000 2 961 182 182 LYS HB3 H 1.7230 0.0000 2 962 182 182 LYS CA C 59.1920 0.0000 1 963 182 182 LYS CB C 31.3300 0.0000 1 964 182 182 LYS N N 118.5020 0.0000 1 965 183 183 THR H H 7.9810 0.0000 1 966 183 183 THR CA C 65.8860 0.0000 1 967 183 183 THR CB C 67.2690 0.0000 1 968 183 183 THR N N 118.8000 0.0000 1 969 187 187 HIS CA C 60.1400 0.0000 1 970 187 187 HIS CB C 29.5260 0.0000 1 971 188 188 ARG H H 8.5060 0.0000 1 972 188 188 ARG CA C 60.2430 0.0000 1 973 188 188 ARG CB C 29.6570 0.0000 1 974 188 188 ARG N N 117.9630 0.0000 1 975 189 189 GLY H H 8.0590 0.0000 1 976 189 189 GLY CA C 46.8370 0.0000 1 977 189 189 GLY N N 105.1090 0.0000 1 978 190 190 LEU H H 8.0770 0.0000 1 979 190 190 LEU CA C 57.4130 0.0000 1 980 190 190 LEU CB C 40.7050 0.0000 1 981 190 190 LEU N N 122.9700 0.0000 1 982 195 195 LEU CA C 53.7240 0.0000 1 983 195 195 LEU CB C 40.4740 0.0000 1 984 195 195 LEU CD1 C 26.0030 0.0000 2 985 195 195 LEU CD2 C 22.2240 0.0000 2 986 196 196 ASN H H 7.7780 0.0000 1 987 196 196 ASN HA H 4.3400 0.0000 1 988 196 196 ASN HB2 H 3.1260 0.0000 2 989 196 196 ASN HB3 H 2.6550 0.0000 2 990 196 196 ASN CA C 53.7960 0.0000 1 991 196 196 ASN CB C 36.6570 0.0000 1 992 196 196 ASN N N 116.9690 0.0000 1 993 197 197 LEU H H 8.4270 0.0000 1 994 197 197 LEU CA C 52.7580 0.0000 1 995 197 197 LEU CB C 42.9450 0.0000 1 996 197 197 LEU CD1 C 26.8690 0.0000 2 997 197 197 LEU CD2 C 22.3390 0.0000 2 998 197 197 LEU N N 116.7240 0.0000 1 999 198 198 LYS H H 9.0910 0.0000 1 1000 198 198 LYS HA H 4.3080 0.0000 1 1001 198 198 LYS HB2 H 1.8960 0.0000 2 1002 198 198 LYS HB3 H 1.8610 0.0000 2 1003 198 198 LYS CA C 56.2540 0.0000 1 1004 198 198 LYS CB C 32.7690 0.0000 1 1005 198 198 LYS N N 119.1840 0.0000 1 1006 199 199 THR H H 7.7450 0.0000 1 1007 199 199 THR HA H 4.9710 0.0000 1 1008 199 199 THR HB H 4.5500 0.0000 1 1009 199 199 THR HG2 H 1.0820 0.0000 1 1010 199 199 THR CA C 58.4660 0.0000 1 1011 199 199 THR CB C 72.0660 0.0000 1 1012 199 199 THR CG2 C 22.6400 0.0000 1 1013 199 199 THR N N 107.2290 0.0000 1 1014 200 200 SER H H 9.4600 0.0000 1 1015 200 200 SER HA H 4.2080 0.0000 1 1016 200 200 SER HB2 H 3.8920 0.0000 2 1017 200 200 SER HB3 H 3.8560 0.0000 2 1018 200 200 SER CA C 60.7690 0.0000 1 1019 200 200 SER CB C 61.9850 0.0000 1 1020 200 200 SER N N 119.3370 0.0000 1 1021 201 201 ALA H H 7.7250 0.0000 1 1022 201 201 ALA HA H 3.8780 0.0000 1 1023 201 201 ALA HB H 1.4580 0.0000 1 1024 201 201 ALA CA C 54.8550 0.0000 1 1025 201 201 ALA CB C 18.5740 0.0000 1 1026 201 201 ALA N N 124.0860 0.0000 1 1027 202 202 ASP H H 7.4920 0.0000 1 1028 202 202 ASP HA H 4.3520 0.0000 1 1029 202 202 ASP HB2 H 2.8530 0.0000 2 1030 202 202 ASP HB3 H 2.7260 0.0000 2 1031 202 202 ASP CA C 56.7400 0.0000 1 1032 202 202 ASP CB C 41.6590 0.0000 1 1033 202 202 ASP N N 118.0160 0.0000 1 1034 203 203 LEU H H 7.0330 0.0000 1 1035 203 203 LEU HA H 3.9880 0.0000 1 1036 203 203 LEU HB2 H 2.2140 0.0000 2 1037 203 203 LEU HB3 H 2.1930 0.0000 2 1038 203 203 LEU HG H 1.5090 0.0000 1 1039 203 203 LEU CA C 57.1760 0.0000 1 1040 203 203 LEU CB C 40.4890 0.0000 1 1041 203 203 LEU CG C 27.2120 0.0000 1 1042 203 203 LEU CD1 C 25.1530 0.0000 2 1043 203 203 LEU CD2 C 23.8160 0.0000 2 1044 203 203 LEU N N 120.7120 0.0000 1 1045 204 204 VAL H H 7.8730 0.0000 1 1046 204 204 VAL HA H 3.3490 0.0000 1 1047 204 204 VAL HB H 1.9550 0.0000 1 1048 204 204 VAL HG1 H 0.9810 0.0000 2 1049 204 204 VAL HG2 H 0.8660 0.0000 2 1050 204 204 VAL CA C 66.7320 0.0000 1 1051 204 204 VAL CB C 30.9340 0.0000 1 1052 204 204 VAL CG1 C 22.7300 0.0000 2 1053 204 204 VAL CG2 C 21.5000 0.0000 2 1054 204 204 VAL N N 117.2950 0.0000 1 1055 205 205 ARG H H 7.3250 0.0000 1 1056 205 205 ARG HA H 3.6890 0.0000 1 1057 205 205 ARG CA C 59.7470 0.0000 1 1058 205 205 ARG CB C 27.9480 0.0000 1 1059 205 205 ARG N N 115.0750 0.0000 1 1060 206 206 ILE H H 7.6000 0.0000 1 1061 206 206 ILE HA H 4.0160 0.0000 1 1062 206 206 ILE HB H 1.8650 0.0000 1 1063 206 206 ILE HG12 H 1.6230 0.0000 2 1064 206 206 ILE HG13 H 1.3590 0.0000 2 1065 206 206 ILE HG2 H 0.9350 0.0000 1 1066 206 206 ILE HD1 H 0.7800 0.0000 1 1067 206 206 ILE CA C 63.4870 0.0000 1 1068 206 206 ILE CB C 37.1470 0.0000 1 1069 206 206 ILE CG1 C 29.6890 0.0000 1 1070 206 206 ILE CG2 C 17.7390 0.0000 1 1071 206 206 ILE CD1 C 14.5190 0.0000 1 1072 206 206 ILE N N 117.1190 0.0000 1 1073 207 207 ALA H H 7.8660 0.0000 1 1074 207 207 ALA HA H 3.8710 0.0000 1 1075 207 207 ALA HB H 1.2610 0.0000 1 1076 207 207 ALA CA C 54.6430 0.0000 1 1077 207 207 ALA CB C 17.8710 0.0000 1 1078 207 207 ALA N N 120.7810 0.0000 1 1079 208 208 VAL H H 8.0680 0.0000 1 1080 208 208 VAL HA H 3.6840 0.0000 1 1081 208 208 VAL HB H 1.9140 0.0000 1 1082 208 208 VAL HG1 H 0.9700 0.0000 2 1083 208 208 VAL HG2 H 0.7890 0.0000 2 1084 208 208 VAL CA C 65.4750 0.0000 1 1085 208 208 VAL CB C 30.5600 0.0000 1 1086 208 208 VAL CG1 C 23.1600 0.0000 2 1087 208 208 VAL CG2 C 21.9400 0.0000 2 1088 208 208 VAL N N 117.1270 0.0000 1 1089 209 209 GLU H H 8.9480 0.0000 1 1090 209 209 GLU HA H 3.6820 0.0000 1 1091 209 209 GLU HB2 H 2.0060 0.0000 2 1092 209 209 GLU HB3 H 1.5790 0.0000 2 1093 209 209 GLU CA C 58.9350 0.0000 1 1094 209 209 GLU CB C 29.1910 0.0000 1 1095 209 209 GLU N N 120.9790 0.0000 1 1096 210 210 ALA H H 7.8910 0.0000 1 1097 210 210 ALA HA H 4.1250 0.0000 1 1098 210 210 ALA HB H 1.3470 0.0000 1 1099 210 210 ALA CA C 53.6870 0.0000 1 1100 210 210 ALA CB C 18.9930 0.0000 1 1101 210 210 ALA N N 117.1840 0.0000 1 1102 211 211 GLY H H 7.5300 0.0000 1 1103 211 211 GLY HA2 H 3.9480 0.0000 2 1104 211 211 GLY HA3 H 3.8570 0.0000 2 1105 211 211 GLY CA C 45.4920 0.0000 1 1106 211 211 GLY N N 104.9470 0.0000 1 1107 212 212 ILE H H 7.3560 0.0000 1 1108 212 212 ILE HA H 4.0300 0.0000 1 1109 212 212 ILE HB H 1.8780 0.0000 1 1110 212 212 ILE HG12 H 1.3600 0.0000 2 1111 212 212 ILE HG13 H 1.1430 0.0000 2 1112 212 212 ILE HG2 H 0.8360 0.0000 1 1113 212 212 ILE HD1 H 0.7870 0.0000 1 1114 212 212 ILE CA C 62.4730 0.0000 1 1115 212 212 ILE CB C 38.0620 0.0000 1 1116 212 212 ILE CG1 C 27.3430 0.0000 1 1117 212 212 ILE CG2 C 18.5560 0.0000 1 1118 212 212 ILE CD1 C 14.3390 0.0000 1 1119 212 212 ILE N N 123.0650 0.0000 1 stop_ save_