data_25153 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; holo_FldB ; _BMRB_accession_number 25153 _BMRB_flat_file_name bmr25153.str _Entry_type original _Submission_date 2014-08-15 _Accession_date 2014-08-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jin Changwen . . 2 Fu Wenyu . . 3 Ye Qian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 963 "13C chemical shifts" 750 "15N chemical shifts" 185 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-03-07 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25155 'apo FldB' stop_ _Original_release_date 2016-03-07 save_ ############################# # Citation for this entry # ############################# save_holo_FldB _Saveframe_category entry_citation _Citation_full . _Citation_title ; Long-chain flavodoxin FldB from Escherichia coli ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25380767 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ye Qian . . 2 Fu Wenyu . . 3 Hu Yunfei . . 4 Jin Changwen . . stop_ _Journal_abbreviation 'J. Biomol. NMR.' _Journal_volume 60 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 283 _Page_last 288 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'holo FldB' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'FLAVIN MONONUCLEOTIDE' $entity_FMN 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 19713.229 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 173 _Mol_residue_sequence ; MNMGLFYGSSTCYTEMAAEK IRDIIGPELVTLHNLKDDSP KLMEQYDVLILGIPTWDFGE IQEDWEAVWDQLDDLNLEGK IVALYGLGDQLGYGEWFLDA LGMLHDKLSTKGVKFVGYWP TEGYEFTSPKPVIADGQLFV GLALDETNQYDLSDERIQSW CEQILNEMAEHYA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 MET 4 GLY 5 LEU 6 PHE 7 TYR 8 GLY 9 SER 10 SER 11 THR 12 CYS 13 TYR 14 THR 15 GLU 16 MET 17 ALA 18 ALA 19 GLU 20 LYS 21 ILE 22 ARG 23 ASP 24 ILE 25 ILE 26 GLY 27 PRO 28 GLU 29 LEU 30 VAL 31 THR 32 LEU 33 HIS 34 ASN 35 LEU 36 LYS 37 ASP 38 ASP 39 SER 40 PRO 41 LYS 42 LEU 43 MET 44 GLU 45 GLN 46 TYR 47 ASP 48 VAL 49 LEU 50 ILE 51 LEU 52 GLY 53 ILE 54 PRO 55 THR 56 TRP 57 ASP 58 PHE 59 GLY 60 GLU 61 ILE 62 GLN 63 GLU 64 ASP 65 TRP 66 GLU 67 ALA 68 VAL 69 TRP 70 ASP 71 GLN 72 LEU 73 ASP 74 ASP 75 LEU 76 ASN 77 LEU 78 GLU 79 GLY 80 LYS 81 ILE 82 VAL 83 ALA 84 LEU 85 TYR 86 GLY 87 LEU 88 GLY 89 ASP 90 GLN 91 LEU 92 GLY 93 TYR 94 GLY 95 GLU 96 TRP 97 PHE 98 LEU 99 ASP 100 ALA 101 LEU 102 GLY 103 MET 104 LEU 105 HIS 106 ASP 107 LYS 108 LEU 109 SER 110 THR 111 LYS 112 GLY 113 VAL 114 LYS 115 PHE 116 VAL 117 GLY 118 TYR 119 TRP 120 PRO 121 THR 122 GLU 123 GLY 124 TYR 125 GLU 126 PHE 127 THR 128 SER 129 PRO 130 LYS 131 PRO 132 VAL 133 ILE 134 ALA 135 ASP 136 GLY 137 GLN 138 LEU 139 PHE 140 VAL 141 GLY 142 LEU 143 ALA 144 LEU 145 ASP 146 GLU 147 THR 148 ASN 149 GLN 150 TYR 151 ASP 152 LEU 153 SER 154 ASP 155 GLU 156 ARG 157 ILE 158 GLN 159 SER 160 TRP 161 CYS 162 GLU 163 GLN 164 ILE 165 LEU 166 ASN 167 GLU 168 MET 169 ALA 170 GLU 171 HIS 172 TYR 173 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_FMN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_FMN (FLAVIN MONONUCLEOTIDE)" _BMRB_code FMN _PDB_code FMN _Molecular_mass 456.344 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . 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 $entity_1 'E. coli' 562 Bacteria . Escherichia coli K12 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 $entity_1 'recombinant technology' . Escherichia coli . PET-21 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 $entity_1 1 mM [U-15N] 'sodium phosphate' 30 mM 'natural abundance' $entity_FMN 2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'sodium phosphate' 30 mM 'natural abundance' $entity_FMN 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 pH 7 . 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 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_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 4.250 . . 2 1 1 MET HB2 H 2.074 . . 3 1 1 MET HG2 H 2.450 . . 4 1 1 MET HE H 1.953 . . 5 1 1 MET C C 171.560 . . 6 1 1 MET CA C 55.300 . . 7 1 1 MET CB C 33.126 . . 8 1 1 MET CG C 31.200 . . 9 1 1 MET CE C 17.000 . . 10 2 2 ASN H H 9.428 . . 11 2 2 ASN HA H 5.208 . . 12 2 2 ASN HB2 H 3.060 . . 13 2 2 ASN HD21 H 6.821 . . 14 2 2 ASN HD22 H 7.707 . . 15 2 2 ASN C C 174.590 . . 16 2 2 ASN CA C 53.000 . . 17 2 2 ASN CB C 39.970 . . 18 2 2 ASN N N 123.320 . . 19 2 2 ASN ND2 N 113.860 . . 20 3 3 MET H H 8.751 . . 21 3 3 MET HA H 5.530 . . 22 3 3 MET HB2 H 2.227 . . 23 3 3 MET HB3 H 1.600 . . 24 3 3 MET HG2 H 2.250 . . 25 3 3 MET HG3 H 2.485 . . 26 3 3 MET HE H 1.970 . . 27 3 3 MET C C 174.400 . . 28 3 3 MET CA C 54.643 . . 29 3 3 MET CB C 34.637 . . 30 3 3 MET CG C 32.900 . . 31 3 3 MET CE C 19.000 . . 32 3 3 MET N N 120.920 . . 33 4 4 GLY H H 8.927 . . 34 4 4 GLY HA2 H 4.152 . . 35 4 4 GLY HA3 H 2.074 . . 36 4 4 GLY C C 170.413 . . 37 4 4 GLY CA C 43.102 . . 38 4 4 GLY N N 115.542 . . 39 5 5 LEU H H 8.928 . . 40 5 5 LEU HA H 6.402 . . 41 5 5 LEU HB2 H 1.793 . . 42 5 5 LEU HB3 H 1.168 . . 43 5 5 LEU HG H 0.914 . . 44 5 5 LEU HD1 H 1.178 . . 45 5 5 LEU C C 175.952 . . 46 5 5 LEU CA C 53.450 . . 47 5 5 LEU CB C 44.592 . . 48 5 5 LEU CG C 27.530 . . 49 5 5 LEU CD1 C 24.700 . . 50 5 5 LEU N N 131.030 . . 51 6 6 PHE H H 9.237 . . 52 6 6 PHE HA H 5.740 . . 53 6 6 PHE HB2 H 3.260 . . 54 6 6 PHE HB3 H 2.345 . . 55 6 6 PHE HD1 H 6.994 . . 56 6 6 PHE HE1 H 6.820 . . 57 6 6 PHE HZ H 6.575 . . 58 6 6 PHE C C 174.300 . . 59 6 6 PHE CA C 55.320 . . 60 6 6 PHE CB C 41.230 . . 61 6 6 PHE CE1 C 130.276 . . 62 6 6 PHE CZ C 130.350 . . 63 6 6 PHE N N 125.790 . . 64 7 7 TYR H H 8.125 . . 65 7 7 TYR HA H 5.965 . . 66 7 7 TYR HB2 H 2.862 . . 67 7 7 TYR HD1 H 6.583 . . 68 7 7 TYR HE1 H 6.530 . . 69 7 7 TYR C C 171.262 . . 70 7 7 TYR CA C 55.400 . . 71 7 7 TYR CB C 41.240 . . 72 7 7 TYR CD1 C 132.714 . . 73 7 7 TYR CE1 C 117.684 . . 74 7 7 TYR N N 117.289 . . 75 8 8 GLY H H 7.031 . . 76 8 8 GLY HA2 H 4.559 . . 77 8 8 GLY HA3 H 3.560 . . 78 8 8 GLY C C 172.000 . . 79 8 8 GLY CA C 43.944 . . 80 8 8 GLY N N 107.420 . . 81 9 9 SER H H 9.604 . . 82 9 9 SER HA H 5.200 . . 83 9 9 SER HB2 H 3.665 . . 84 9 9 SER HB3 H 3.845 . . 85 9 9 SER C C 175.000 . . 86 9 9 SER CA C 57.570 . . 87 9 9 SER CB C 66.700 . . 88 9 9 SER N N 118.150 . . 89 10 10 SER H H 11.636 . . 90 10 10 SER HA H 4.775 . . 91 10 10 SER HB2 H 3.578 . . 92 10 10 SER HB3 H 3.456 . . 93 10 10 SER C C 175.730 . . 94 10 10 SER CA C 61.750 . . 95 10 10 SER CB C 64.400 . . 96 10 10 SER N N 131.193 . . 97 11 11 THR H H 9.550 . . 98 11 11 THR HA H 4.770 . . 99 11 11 THR HB H 4.993 . . 100 11 11 THR HG2 H 1.387 . . 101 11 11 THR C C 173.700 . . 102 11 11 THR CA C 60.700 . . 103 11 11 THR CB C 67.430 . . 104 11 11 THR CG2 C 23.800 . . 105 11 11 THR N N 115.848 . . 106 12 12 CYS H H 7.437 . . 107 12 12 CYS HA H 4.070 . . 108 12 12 CYS HB2 H 3.264 . . 109 12 12 CYS HB3 H 3.180 . . 110 12 12 CYS C C 176.220 . . 111 12 12 CYS CA C 63.600 . . 112 12 12 CYS CB C 26.400 . . 113 12 12 CYS N N 109.780 . . 114 13 13 TYR H H 10.886 . . 115 13 13 TYR HA H 4.103 . . 116 13 13 TYR HB2 H 3.500 . . 117 13 13 TYR HB3 H 2.793 . . 118 13 13 TYR HD2 H 7.621 . . 119 13 13 TYR HE2 H 6.990 . . 120 13 13 TYR C C 180.880 . . 121 13 13 TYR CA C 65.100 . . 122 13 13 TYR CB C 36.835 . . 123 13 13 TYR CD2 C 133.932 . . 124 13 13 TYR CE2 C 118.496 . . 125 13 13 TYR N N 127.830 . . 126 14 14 THR H H 11.405 . . 127 14 14 THR HA H 4.160 . . 128 14 14 THR HB H 3.855 . . 129 14 14 THR HG2 H 1.283 . . 130 14 14 THR C C 177.760 . . 131 14 14 THR CA C 67.823 . . 132 14 14 THR CB C 68.040 . . 133 14 14 THR CG2 C 21.100 . . 134 14 14 THR N N 124.428 . . 135 15 15 GLU H H 6.885 . . 136 15 15 GLU HA H 2.890 . . 137 15 15 GLU HB2 H 1.777 . . 138 15 15 GLU HB3 H 2.215 . . 139 15 15 GLU HG2 H 1.900 . . 140 15 15 GLU C C 176.392 . . 141 15 15 GLU CA C 59.200 . . 142 15 15 GLU CB C 30.450 . . 143 15 15 GLU CG C 36.100 . . 144 15 15 GLU N N 123.050 . . 145 16 16 MET H H 8.469 . . 146 16 16 MET HA H 4.050 . . 147 16 16 MET HB2 H 2.016 . . 148 16 16 MET HB3 H 2.250 . . 149 16 16 MET HG2 H 2.507 . . 150 16 16 MET HG3 H 2.783 . . 151 16 16 MET HE H 1.923 . . 152 16 16 MET C C 179.940 . . 153 16 16 MET CA C 59.240 . . 154 16 16 MET CB C 32.970 . . 155 16 16 MET CG C 32.460 . . 156 16 16 MET CE C 17.000 . . 157 16 16 MET N N 120.173 . . 158 17 17 ALA H H 7.880 . . 159 17 17 ALA HA H 3.836 . . 160 17 17 ALA HB H 1.245 . . 161 17 17 ALA C C 177.900 . . 162 17 17 ALA CA C 55.200 . . 163 17 17 ALA CB C 18.000 . . 164 17 17 ALA N N 121.930 . . 165 18 18 ALA H H 7.374 . . 166 18 18 ALA HA H 3.737 . . 167 18 18 ALA HB H 1.158 . . 168 18 18 ALA C C 179.380 . . 169 18 18 ALA CA C 55.000 . . 170 18 18 ALA CB C 18.830 . . 171 18 18 ALA N N 121.477 . . 172 19 19 GLU H H 7.628 . . 173 19 19 GLU HA H 3.616 . . 174 19 19 GLU HB2 H 1.980 . . 175 19 19 GLU HB3 H 2.070 . . 176 19 19 GLU HG2 H 2.420 . . 177 19 19 GLU HG3 H 1.953 . . 178 19 19 GLU C C 178.479 . . 179 19 19 GLU CA C 59.730 . . 180 19 19 GLU CB C 29.300 . . 181 19 19 GLU CG C 36.400 . . 182 19 19 GLU N N 116.650 . . 183 20 20 LYS H H 7.376 . . 184 20 20 LYS HA H 4.050 . . 185 20 20 LYS HB2 H 1.980 . . 186 20 20 LYS HB3 H 1.777 . . 187 20 20 LYS HG2 H 1.655 . . 188 20 20 LYS HG3 H 1.396 . . 189 20 20 LYS HD2 H 1.680 . . 190 20 20 LYS HD3 H 1.465 . . 191 20 20 LYS HE2 H 2.840 . . 192 20 20 LYS HE3 H 2.890 . . 193 20 20 LYS C C 179.116 . . 194 20 20 LYS CA C 59.830 . . 195 20 20 LYS CB C 32.850 . . 196 20 20 LYS CG C 26.100 . . 197 20 20 LYS CD C 29.640 . . 198 20 20 LYS CE C 42.250 . . 199 20 20 LYS N N 119.470 . . 200 21 21 ILE H H 8.100 . . 201 21 21 ILE HA H 3.390 . . 202 21 21 ILE HB H 1.637 . . 203 21 21 ILE HG12 H 1.505 . . 204 21 21 ILE HG13 H 0.530 . . 205 21 21 ILE HG2 H 0.870 . . 206 21 21 ILE HD1 H -0.006 . . 207 21 21 ILE C C 177.580 . . 208 21 21 ILE CA C 65.820 . . 209 21 21 ILE CB C 38.348 . . 210 21 21 ILE CG1 C 31.186 . . 211 21 21 ILE CG2 C 17.800 . . 212 21 21 ILE CD1 C 13.560 . . 213 21 21 ILE N N 121.030 . . 214 22 22 ARG H H 8.187 . . 215 22 22 ARG HA H 3.555 . . 216 22 22 ARG HB2 H 2.132 . . 217 22 22 ARG HB3 H 1.558 . . 218 22 22 ARG HG2 H 1.725 . . 219 22 22 ARG HG3 H 1.380 . . 220 22 22 ARG HD2 H 3.136 . . 221 22 22 ARG HD3 H 3.176 . . 222 22 22 ARG HE H 7.158 . . 223 22 22 ARG C C 177.320 . . 224 22 22 ARG CA C 59.720 . . 225 22 22 ARG CB C 28.932 . . 226 22 22 ARG CG C 26.570 . . 227 22 22 ARG CD C 43.600 . . 228 22 22 ARG N N 119.720 . . 229 22 22 ARG NE N 116.650 . . 230 23 23 ASP H H 7.950 . . 231 23 23 ASP HA H 4.363 . . 232 23 23 ASP HB2 H 2.795 . . 233 23 23 ASP HB3 H 2.647 . . 234 23 23 ASP C C 178.330 . . 235 23 23 ASP CA C 56.950 . . 236 23 23 ASP CB C 40.240 . . 237 23 23 ASP N N 118.730 . . 238 24 24 ILE H H 7.910 . . 239 24 24 ILE HA H 3.796 . . 240 24 24 ILE HB H 1.995 . . 241 24 24 ILE HG12 H 1.197 . . 242 24 24 ILE HG13 H 1.688 . . 243 24 24 ILE HG2 H 0.882 . . 244 24 24 ILE HD1 H 0.805 . . 245 24 24 ILE C C 178.250 . . 246 24 24 ILE CA C 64.150 . . 247 24 24 ILE CB C 38.480 . . 248 24 24 ILE CG1 C 29.300 . . 249 24 24 ILE CG2 C 18.800 . . 250 24 24 ILE CD1 C 14.180 . . 251 24 24 ILE N N 121.090 . . 252 25 25 ILE H H 8.476 . . 253 25 25 ILE HA H 3.646 . . 254 25 25 ILE HB H 1.685 . . 255 25 25 ILE HG12 H 1.926 . . 256 25 25 ILE HG13 H 0.870 . . 257 25 25 ILE HG2 H 0.920 . . 258 25 25 ILE HD1 H 0.680 . . 259 25 25 ILE C C 176.800 . . 260 25 25 ILE CA C 65.700 . . 261 25 25 ILE CB C 38.190 . . 262 25 25 ILE CG1 C 29.250 . . 263 25 25 ILE CG2 C 17.860 . . 264 25 25 ILE CD1 C 13.390 . . 265 25 25 ILE N N 121.406 . . 266 26 26 GLY H H 8.016 . . 267 26 26 GLY HA2 H 4.420 . . 268 26 26 GLY HA3 H 3.967 . . 269 26 26 GLY C C 173.710 . . 270 26 26 GLY CA C 44.330 . . 271 26 26 GLY N N 108.900 . . 272 27 27 PRO HA H 4.338 . . 273 27 27 PRO HB2 H 2.246 . . 274 27 27 PRO HB3 H 2.060 . . 275 27 27 PRO HG2 H 2.125 . . 276 27 27 PRO HG3 H 2.050 . . 277 27 27 PRO HD2 H 3.982 . . 278 27 27 PRO HD3 H 3.946 . . 279 27 27 PRO C C 177.200 . . 280 27 27 PRO CA C 64.686 . . 281 27 27 PRO CB C 32.200 . . 282 27 27 PRO CG C 27.820 . . 283 27 27 PRO CD C 52.000 . . 284 28 28 GLU H H 9.204 . . 285 28 28 GLU HA H 4.270 . . 286 28 28 GLU HB2 H 2.012 . . 287 28 28 GLU HB3 H 2.113 . . 288 28 28 GLU HG2 H 2.370 . . 289 28 28 GLU HG3 H 2.300 . . 290 28 28 GLU C C 176.980 . . 291 28 28 GLU CA C 57.740 . . 292 28 28 GLU CB C 28.670 . . 293 28 28 GLU CG C 36.530 . . 294 28 28 GLU N N 116.295 . . 295 29 29 LEU H H 7.940 . . 296 29 29 LEU HA H 4.636 . . 297 29 29 LEU HB2 H 1.860 . . 298 29 29 LEU HB3 H 1.592 . . 299 29 29 LEU HG H 1.612 . . 300 29 29 LEU HD1 H 0.950 . . 301 29 29 LEU HD2 H 0.925 . . 302 29 29 LEU C C 175.770 . . 303 29 29 LEU CA C 55.800 . . 304 29 29 LEU CB C 45.100 . . 305 29 29 LEU CG C 27.650 . . 306 29 29 LEU CD1 C 25.500 . . 307 29 29 LEU CD2 C 23.360 . . 308 29 29 LEU N N 120.250 . . 309 30 30 VAL H H 7.434 . . 310 30 30 VAL HA H 4.648 . . 311 30 30 VAL HB H 1.840 . . 312 30 30 VAL HG1 H 0.656 . . 313 30 30 VAL HG2 H 0.895 . . 314 30 30 VAL C C 174.347 . . 315 30 30 VAL CA C 60.868 . . 316 30 30 VAL CB C 34.580 . . 317 30 30 VAL CG1 C 22.730 . . 318 30 30 VAL CG2 C 22.410 . . 319 30 30 VAL N N 118.693 . . 320 31 31 THR H H 7.844 . . 321 31 31 THR HA H 4.362 . . 322 31 31 THR HB H 3.934 . . 323 31 31 THR HG2 H 0.893 . . 324 31 31 THR C C 172.964 . . 325 31 31 THR CA C 61.720 . . 326 31 31 THR CB C 70.485 . . 327 31 31 THR CG2 C 22.000 . . 328 31 31 THR N N 123.800 . . 329 32 32 LEU H H 8.660 . . 330 32 32 LEU HA H 4.684 . . 331 32 32 LEU HB2 H 1.720 . . 332 32 32 LEU HB3 H 1.563 . . 333 32 32 LEU HG H 1.680 . . 334 32 32 LEU HD1 H 0.780 . . 335 32 32 LEU C C 176.600 . . 336 32 32 LEU CA C 55.155 . . 337 32 32 LEU CB C 43.850 . . 338 32 32 LEU CG C 29.420 . . 339 32 32 LEU CD1 C 25.750 . . 340 32 32 LEU N N 127.800 . . 341 33 33 HIS H H 9.060 . . 342 33 33 HIS HA H 4.400 . . 343 33 33 HIS HB2 H 2.050 . . 344 33 33 HIS HB3 H 1.435 . . 345 33 33 HIS HD2 H 5.480 . . 346 33 33 HIS HE1 H 6.570 . . 347 33 33 HIS C C 171.667 . . 348 33 33 HIS CA C 55.200 . . 349 33 33 HIS CB C 32.200 . . 350 33 33 HIS CD2 C 125.400 . . 351 33 33 HIS N N 119.670 . . 352 34 34 ASN H H 8.780 . . 353 34 34 ASN HA H 3.434 . . 354 34 34 ASN HB2 H 3.060 . . 355 34 34 ASN HB3 H 2.512 . . 356 34 34 ASN HD21 H 7.433 . . 357 34 34 ASN HD22 H 7.683 . . 358 34 34 ASN C C 178.000 . . 359 34 34 ASN CA C 51.429 . . 360 34 34 ASN CB C 38.560 . . 361 34 34 ASN N N 124.068 . . 362 34 34 ASN ND2 N 113.340 . . 363 35 35 LEU H H 8.821 . . 364 35 35 LEU HA H 4.315 . . 365 35 35 LEU HB2 H 1.008 . . 366 35 35 LEU HB3 H 0.887 . . 367 35 35 LEU HG H 1.124 . . 368 35 35 LEU HD1 H 0.575 . . 369 35 35 LEU HD2 H -0.977 . . 370 35 35 LEU C C 177.700 . . 371 35 35 LEU CA C 56.480 . . 372 35 35 LEU CB C 42.300 . . 373 35 35 LEU CG C 26.950 . . 374 35 35 LEU CD1 C 23.050 . . 375 35 35 LEU CD2 C 23.175 . . 376 35 35 LEU N N 129.040 . . 377 36 36 LYS H H 8.480 . . 378 36 36 LYS HA H 3.880 . . 379 36 36 LYS HB2 H 1.310 . . 380 36 36 LYS HB3 H 1.492 . . 381 36 36 LYS HG2 H 1.336 . . 382 36 36 LYS HG3 H 1.300 . . 383 36 36 LYS HD2 H 1.682 . . 384 36 36 LYS HE2 H 3.033 . . 385 36 36 LYS HE3 H 2.985 . . 386 36 36 LYS C C 176.230 . . 387 36 36 LYS CA C 59.420 . . 388 36 36 LYS CB C 33.270 . . 389 36 36 LYS CG C 24.450 . . 390 36 36 LYS CD C 29.300 . . 391 36 36 LYS CE C 41.780 . . 392 36 36 LYS N N 121.043 . . 393 37 37 ASP H H 7.228 . . 394 37 37 ASP HA H 4.777 . . 395 37 37 ASP HB2 H 2.700 . . 396 37 37 ASP HB3 H 2.362 . . 397 37 37 ASP C C 175.440 . . 398 37 37 ASP CA C 54.711 . . 399 37 37 ASP CB C 44.700 . . 400 37 37 ASP N N 114.965 . . 401 38 38 ASP H H 8.184 . . 402 38 38 ASP HA H 4.870 . . 403 38 38 ASP HB2 H 2.390 . . 404 38 38 ASP HB3 H 2.215 . . 405 38 38 ASP C C 174.852 . . 406 38 38 ASP CA C 53.080 . . 407 38 38 ASP CB C 42.110 . . 408 38 38 ASP N N 121.650 . . 409 39 39 SER H H 8.351 . . 410 39 39 SER HA H 4.585 . . 411 39 39 SER HB2 H 4.145 . . 412 39 39 SER HB3 H 3.670 . . 413 39 39 SER C C 175.040 . . 414 39 39 SER CA C 54.960 . . 415 39 39 SER CB C 64.720 . . 416 39 39 SER N N 115.207 . . 417 40 40 PRO HA H 4.005 . . 418 40 40 PRO HB2 H 1.852 . . 419 40 40 PRO HB3 H 1.787 . . 420 40 40 PRO HG2 H 1.786 . . 421 40 40 PRO HG3 H 1.893 . . 422 40 40 PRO HD2 H 4.107 . . 423 40 40 PRO HD3 H 3.766 . . 424 40 40 PRO C C 176.730 . . 425 40 40 PRO CA C 63.900 . . 426 40 40 PRO CB C 31.400 . . 427 40 40 PRO CG C 27.200 . . 428 40 40 PRO CD C 50.460 . . 429 41 41 LYS H H 8.255 . . 430 41 41 LYS HA H 3.912 . . 431 41 41 LYS HB2 H 1.756 . . 432 41 41 LYS HG2 H 1.393 . . 433 41 41 LYS HD2 H 1.513 . . 434 41 41 LYS HD3 H 1.640 . . 435 41 41 LYS HE2 H 2.915 . . 436 41 41 LYS C C 179.600 . . 437 41 41 LYS CA C 58.200 . . 438 41 41 LYS CB C 32.000 . . 439 41 41 LYS CG C 24.850 . . 440 41 41 LYS CD C 28.824 . . 441 41 41 LYS CE C 42.250 . . 442 41 41 LYS N N 121.150 . . 443 42 42 LEU H H 7.600 . . 444 42 42 LEU HA H 4.037 . . 445 42 42 LEU HB2 H 1.887 . . 446 42 42 LEU HB3 H 1.430 . . 447 42 42 LEU HG H 1.793 . . 448 42 42 LEU HD1 H 0.832 . . 449 42 42 LEU HD2 H 0.828 . . 450 42 42 LEU C C 178.760 . . 451 42 42 LEU CA C 57.180 . . 452 42 42 LEU CB C 41.973 . . 453 42 42 LEU CG C 27.460 . . 454 42 42 LEU CD1 C 25.700 . . 455 42 42 LEU CD2 C 22.300 . . 456 42 42 LEU N N 118.103 . . 457 43 43 MET H H 8.202 . . 458 43 43 MET HA H 3.750 . . 459 43 43 MET HB2 H 1.674 . . 460 43 43 MET HB3 H 0.787 . . 461 43 43 MET HE H 1.596 . . 462 43 43 MET C C 177.680 . . 463 43 43 MET CA C 59.730 . . 464 43 43 MET CB C 32.700 . . 465 43 43 MET CG C 32.720 . . 466 43 43 MET CE C 18.550 . . 467 43 43 MET N N 118.917 . . 468 44 44 GLU H H 7.218 . . 469 44 44 GLU HA H 3.740 . . 470 44 44 GLU HB2 H 2.226 . . 471 44 44 GLU HB3 H 2.027 . . 472 44 44 GLU HG2 H 2.319 . . 473 44 44 GLU HG3 H 2.410 . . 474 44 44 GLU C C 178.130 . . 475 44 44 GLU CA C 59.400 . . 476 44 44 GLU CB C 29.550 . . 477 44 44 GLU CG C 38.000 . . 478 44 44 GLU N N 110.924 . . 479 45 45 GLN H H 7.516 . . 480 45 45 GLN HA H 4.183 . . 481 45 45 GLN HB2 H 1.845 . . 482 45 45 GLN HB3 H 1.800 . . 483 45 45 GLN HG2 H 2.341 . . 484 45 45 GLN HE21 H 6.887 . . 485 45 45 GLN HE22 H 7.055 . . 486 45 45 GLN C C 175.414 . . 487 45 45 GLN CA C 56.180 . . 488 45 45 GLN CB C 28.600 . . 489 45 45 GLN CG C 33.220 . . 490 45 45 GLN N N 115.756 . . 491 45 45 GLN NE2 N 111.670 . . 492 46 46 TYR H H 6.996 . . 493 46 46 TYR HA H 4.663 . . 494 46 46 TYR HB2 H 3.434 . . 495 46 46 TYR HB3 H 2.720 . . 496 46 46 TYR HD1 H 7.090 . . 497 46 46 TYR HE1 H 6.880 . . 498 46 46 TYR C C 175.500 . . 499 46 46 TYR CA C 58.486 . . 500 46 46 TYR CB C 41.470 . . 501 46 46 TYR CD1 C 133.932 . . 502 46 46 TYR CE1 C 119.800 . . 503 46 46 TYR N N 117.860 . . 504 47 47 ASP H H 8.808 . . 505 47 47 ASP HA H 4.700 . . 506 47 47 ASP HB2 H 2.988 . . 507 47 47 ASP HB3 H 2.891 . . 508 47 47 ASP C C 175.610 . . 509 47 47 ASP CA C 56.700 . . 510 47 47 ASP CB C 43.000 . . 511 47 47 ASP N N 121.683 . . 512 48 48 VAL H H 7.628 . . 513 48 48 VAL HA H 5.034 . . 514 48 48 VAL HB H 1.883 . . 515 48 48 VAL HG1 H 1.086 . . 516 48 48 VAL HG2 H 0.874 . . 517 48 48 VAL C C 174.190 . . 518 48 48 VAL CA C 60.190 . . 519 48 48 VAL CB C 36.100 . . 520 48 48 VAL CG1 C 21.650 . . 521 48 48 VAL CG2 C 20.890 . . 522 48 48 VAL N N 118.628 . . 523 49 49 LEU H H 9.407 . . 524 49 49 LEU HA H 5.603 . . 525 49 49 LEU HB2 H 1.996 . . 526 49 49 LEU HB3 H 1.376 . . 527 49 49 LEU HG H 0.902 . . 528 49 49 LEU HD1 H 1.254 . . 529 49 49 LEU C C 174.880 . . 530 49 49 LEU CA C 52.240 . . 531 49 49 LEU CB C 45.340 . . 532 49 49 LEU CG C 26.530 . . 533 49 49 LEU CD1 C 25.050 . . 534 49 49 LEU N N 128.190 . . 535 50 50 ILE H H 9.238 . . 536 50 50 ILE HA H 5.700 . . 537 50 50 ILE HB H 1.716 . . 538 50 50 ILE HG12 H 1.603 . . 539 50 50 ILE HG13 H 0.940 . . 540 50 50 ILE HG2 H 1.320 . . 541 50 50 ILE HD1 H 0.752 . . 542 50 50 ILE C C 175.300 . . 543 50 50 ILE CA C 59.864 . . 544 50 50 ILE CB C 40.250 . . 545 50 50 ILE CG1 C 27.405 . . 546 50 50 ILE CG2 C 17.970 . . 547 50 50 ILE CD1 C 14.692 . . 548 50 50 ILE N N 124.550 . . 549 51 51 LEU H H 9.228 . . 550 51 51 LEU HA H 6.185 . . 551 51 51 LEU HB2 H 1.576 . . 552 51 51 LEU HB3 H 2.200 . . 553 51 51 LEU HG H 1.398 . . 554 51 51 LEU HD1 H 0.948 . . 555 51 51 LEU HD2 H 1.875 . . 556 51 51 LEU C C 174.544 . . 557 51 51 LEU CA C 52.820 . . 558 51 51 LEU CB C 43.637 . . 559 51 51 LEU CG C 26.580 . . 560 51 51 LEU CD1 C 26.800 . . 561 51 51 LEU CD2 C 26.900 . . 562 51 51 LEU N N 127.460 . . 563 52 52 GLY H H 8.860 . . 564 52 52 GLY HA2 H 4.090 . . 565 52 52 GLY HA3 H 2.304 . . 566 52 52 GLY C C 174.710 . . 567 52 52 GLY CA C 43.870 . . 568 52 52 GLY N N 107.760 . . 569 53 53 ILE H H 8.458 . . 570 53 53 ILE HA H 5.270 . . 571 53 53 ILE HB H 0.940 . . 572 53 53 ILE HG12 H 1.260 . . 573 53 53 ILE HG13 H 0.855 . . 574 53 53 ILE HG2 H 0.099 . . 575 53 53 ILE HD1 H 0.547 . . 576 53 53 ILE C C 172.630 . . 577 53 53 ILE CA C 56.680 . . 578 53 53 ILE CB C 44.160 . . 579 53 53 ILE CG1 C 28.380 . . 580 53 53 ILE CG2 C 14.850 . . 581 53 53 ILE CD1 C 14.160 . . 582 53 53 ILE N N 123.890 . . 583 54 54 PRO HA H 5.388 . . 584 54 54 PRO HB2 H 2.520 . . 585 54 54 PRO HB3 H 1.860 . . 586 54 54 PRO HG2 H 3.380 . . 587 54 54 PRO HD2 H 3.817 . . 588 54 54 PRO C C 175.000 . . 589 54 54 PRO CA C 61.600 . . 590 54 54 PRO CB C 32.300 . . 591 54 54 PRO CG C 27.460 . . 592 54 54 PRO CD C 52.100 . . 593 55 55 THR H H 6.523 . . 594 55 55 THR HA H 4.452 . . 595 55 55 THR HB H 3.677 . . 596 55 55 THR HG2 H 1.445 . . 597 55 55 THR C C 172.480 . . 598 55 55 THR CA C 62.350 . . 599 55 55 THR CB C 70.230 . . 600 55 55 THR CG2 C 22.300 . . 601 55 55 THR N N 112.754 . . 602 56 56 TRP H H 8.450 . . 603 56 56 TRP HA H 2.715 . . 604 56 56 TRP HB2 H 2.894 . . 605 56 56 TRP HB3 H 1.996 . . 606 56 56 TRP HD1 H 6.348 . . 607 56 56 TRP HE3 H 11.362 . . 608 56 56 TRP HZ2 H 8.252 . . 609 56 56 TRP HZ3 H 6.995 . . 610 56 56 TRP HH2 H 7.312 . . 611 56 56 TRP C C 172.890 . . 612 56 56 TRP CA C 56.650 . . 613 56 56 TRP CB C 33.000 . . 614 56 56 TRP CD1 C 121.340 . . 615 56 56 TRP CZ2 C 116.800 . . 616 56 56 TRP CZ3 C 122.150 . . 617 56 56 TRP CH2 C 124.930 . . 618 56 56 TRP N N 130.044 . . 619 56 56 TRP NE1 N 131.044 . . 620 57 57 ASP H H 6.910 . . 621 57 57 ASP HA H 4.352 . . 622 57 57 ASP HB2 H 2.760 . . 623 57 57 ASP HB3 H 2.550 . . 624 57 57 ASP C C 173.660 . . 625 57 57 ASP CA C 56.230 . . 626 57 57 ASP CB C 40.170 . . 627 57 57 ASP N N 115.275 . . 628 58 58 PHE H H 7.640 . . 629 58 58 PHE HA H 3.324 . . 630 58 58 PHE HB2 H 3.168 . . 631 58 58 PHE HB3 H 1.545 . . 632 58 58 PHE HD2 H 6.130 . . 633 58 58 PHE HE2 H 7.334 . . 634 58 58 PHE HZ H 7.338 . . 635 58 58 PHE C C 175.730 . . 636 58 58 PHE CA C 58.823 . . 637 58 58 PHE CB C 34.754 . . 638 58 58 PHE CD2 C 131.900 . . 639 58 58 PHE CE2 C 131.900 . . 640 58 58 PHE CZ C 129.460 . . 641 58 58 PHE N N 112.840 . . 642 59 59 GLY H H 8.024 . . 643 59 59 GLY HA2 H 4.612 . . 644 59 59 GLY HA3 H 3.635 . . 645 59 59 GLY C C 173.750 . . 646 59 59 GLY CA C 46.290 . . 647 59 59 GLY N N 104.940 . . 648 60 60 GLU H H 8.396 . . 649 60 60 GLU HA H 4.413 . . 650 60 60 GLU HB2 H 1.932 . . 651 60 60 GLU HB3 H 1.720 . . 652 60 60 GLU HG2 H 2.430 . . 653 60 60 GLU HG3 H 2.190 . . 654 60 60 GLU C C 176.050 . . 655 60 60 GLU CA C 54.620 . . 656 60 60 GLU CB C 30.610 . . 657 60 60 GLU CG C 35.400 . . 658 60 60 GLU N N 120.045 . . 659 61 61 ILE H H 8.200 . . 660 61 61 ILE HA H 3.467 . . 661 61 61 ILE HB H 1.310 . . 662 61 61 ILE HG12 H 1.085 . . 663 61 61 ILE HG13 H 0.462 . . 664 61 61 ILE HG2 H 0.670 . . 665 61 61 ILE HD1 H -0.380 . . 666 61 61 ILE C C 175.130 . . 667 61 61 ILE CA C 61.547 . . 668 61 61 ILE CB C 38.850 . . 669 61 61 ILE CG1 C 28.100 . . 670 61 61 ILE CG2 C 19.060 . . 671 61 61 ILE CD1 C 12.280 . . 672 61 61 ILE N N 120.790 . . 673 62 62 GLN H H 5.667 . . 674 62 62 GLN HA H 3.956 . . 675 62 62 GLN HB2 H 2.657 . . 676 62 62 GLN HB3 H 2.306 . . 677 62 62 GLN HG2 H 2.520 . . 678 62 62 GLN C C 177.160 . . 679 62 62 GLN CA C 57.610 . . 680 62 62 GLN CB C 27.650 . . 681 62 62 GLN CG C 32.672 . . 682 62 62 GLN N N 124.520 . . 683 63 63 GLU H H 8.826 . . 684 63 63 GLU HA H 3.986 . . 685 63 63 GLU HB2 H 1.807 . . 686 63 63 GLU HB3 H 1.987 . . 687 63 63 GLU HG2 H 2.030 . . 688 63 63 GLU HG3 H 1.998 . . 689 63 63 GLU C C 177.300 . . 690 63 63 GLU CA C 60.720 . . 691 63 63 GLU CB C 30.120 . . 692 63 63 GLU CG C 34.880 . . 693 63 63 GLU N N 124.570 . . 694 64 64 ASP H H 7.650 . . 695 64 64 ASP HA H 4.620 . . 696 64 64 ASP HB2 H 2.780 . . 697 64 64 ASP HB3 H 2.130 . . 698 64 64 ASP C C 179.180 . . 699 64 64 ASP CA C 57.950 . . 700 64 64 ASP CB C 40.950 . . 701 64 64 ASP N N 119.060 . . 702 65 65 TRP H H 7.350 . . 703 65 65 TRP HA H 4.340 . . 704 65 65 TRP HB2 H 3.442 . . 705 65 65 TRP HB3 H 3.325 . . 706 65 65 TRP HD1 H 7.367 . . 707 65 65 TRP HE1 H 10.600 . . 708 65 65 TRP HE3 H 7.640 . . 709 65 65 TRP HZ2 H 7.340 . . 710 65 65 TRP HZ3 H 6.780 . . 711 65 65 TRP HH2 H 7.008 . . 712 65 65 TRP C C 178.970 . . 713 65 65 TRP CA C 60.820 . . 714 65 65 TRP CB C 30.400 . . 715 65 65 TRP CD1 C 124.590 . . 716 65 65 TRP CE3 C 120.000 . . 717 65 65 TRP CZ2 C 114.100 . . 718 65 65 TRP CZ3 C 121.850 . . 719 65 65 TRP CH2 C 124.590 . . 720 65 65 TRP N N 121.070 . . 721 65 65 TRP NE1 N 128.170 . . 722 66 66 GLU H H 8.720 . . 723 66 66 GLU HA H 3.840 . . 724 66 66 GLU HB2 H 2.068 . . 725 66 66 GLU HB3 H 1.683 . . 726 66 66 GLU HG2 H 2.174 . . 727 66 66 GLU C C 178.750 . . 728 66 66 GLU CA C 60.000 . . 729 66 66 GLU CB C 28.860 . . 730 66 66 GLU CG C 35.500 . . 731 66 66 GLU N N 120.900 . . 732 67 67 ALA H H 7.640 . . 733 67 67 ALA HA H 4.253 . . 734 67 67 ALA HB H 1.600 . . 735 67 67 ALA C C 179.410 . . 736 67 67 ALA CA C 54.580 . . 737 67 67 ALA CB C 18.810 . . 738 67 67 ALA N N 119.130 . . 739 68 68 VAL H H 7.219 . . 740 68 68 VAL HA H 4.810 . . 741 68 68 VAL HB H 2.464 . . 742 68 68 VAL HG1 H 0.997 . . 743 68 68 VAL HG2 H 0.970 . . 744 68 68 VAL C C 176.750 . . 745 68 68 VAL CA C 59.610 . . 746 68 68 VAL CB C 32.620 . . 747 68 68 VAL CG1 C 18.520 . . 748 68 68 VAL CG2 C 21.140 . . 749 68 68 VAL N N 106.845 . . 750 69 69 TRP H H 7.832 . . 751 69 69 TRP HA H 4.238 . . 752 69 69 TRP HB2 H 3.823 . . 753 69 69 TRP HB3 H 3.349 . . 754 69 69 TRP HD1 H 7.300 . . 755 69 69 TRP HE1 H 10.273 . . 756 69 69 TRP HE3 H 7.750 . . 757 69 69 TRP HZ2 H 7.139 . . 758 69 69 TRP HZ3 H 6.596 . . 759 69 69 TRP HH2 H 6.510 . . 760 69 69 TRP C C 178.670 . . 761 69 69 TRP CA C 61.220 . . 762 69 69 TRP CB C 31.630 . . 763 69 69 TRP CD1 C 127.000 . . 764 69 69 TRP CE3 C 121.340 . . 765 69 69 TRP CZ2 C 114.028 . . 766 69 69 TRP CZ3 C 121.300 . . 767 69 69 TRP CH2 C 123.780 . . 768 69 69 TRP N N 127.630 . . 769 69 69 TRP NE1 N 128.420 . . 770 70 70 ASP H H 8.730 . . 771 70 70 ASP HA H 4.522 . . 772 70 70 ASP HB2 H 2.790 . . 773 70 70 ASP HB3 H 2.730 . . 774 70 70 ASP C C 178.670 . . 775 70 70 ASP CA C 56.000 . . 776 70 70 ASP CB C 39.850 . . 777 70 70 ASP N N 114.544 . . 778 71 71 GLN H H 7.995 . . 779 71 71 GLN HA H 4.184 . . 780 71 71 GLN HB2 H 2.130 . . 781 71 71 GLN HG2 H 2.500 . . 782 71 71 GLN HG3 H 2.383 . . 783 71 71 GLN HE21 H 6.943 . . 784 71 71 GLN HE22 H 7.856 . . 785 71 71 GLN C C 178.910 . . 786 71 71 GLN CA C 57.610 . . 787 71 71 GLN CB C 29.100 . . 788 71 71 GLN CG C 34.490 . . 789 71 71 GLN N N 120.040 . . 790 71 71 GLN NE2 N 112.340 . . 791 72 72 LEU H H 7.450 . . 792 72 72 LEU HA H 3.813 . . 793 72 72 LEU HB2 H 1.585 . . 794 72 72 LEU HB3 H 0.937 . . 795 72 72 LEU HG H 1.970 . . 796 72 72 LEU HD1 H 0.433 . . 797 72 72 LEU HD2 H 0.668 . . 798 72 72 LEU C C 178.650 . . 799 72 72 LEU CA C 57.200 . . 800 72 72 LEU CB C 41.410 . . 801 72 72 LEU CG C 26.600 . . 802 72 72 LEU CD1 C 25.710 . . 803 72 72 LEU CD2 C 22.500 . . 804 72 72 LEU N N 117.400 . . 805 73 73 ASP H H 7.499 . . 806 73 73 ASP HA H 4.168 . . 807 73 73 ASP HB2 H 2.652 . . 808 73 73 ASP C C 177.560 . . 809 73 73 ASP CA C 57.400 . . 810 73 73 ASP CB C 40.100 . . 811 73 73 ASP N N 115.750 . . 812 74 74 ASP H H 7.380 . . 813 74 74 ASP HA H 4.703 . . 814 74 74 ASP HB2 H 2.818 . . 815 74 74 ASP HB3 H 2.506 . . 816 74 74 ASP C C 176.388 . . 817 74 74 ASP CA C 54.500 . . 818 74 74 ASP CB C 41.700 . . 819 74 74 ASP N N 117.223 . . 820 75 75 LEU H H 6.960 . . 821 75 75 LEU HA H 4.285 . . 822 75 75 LEU HB2 H 1.658 . . 823 75 75 LEU HB3 H 1.053 . . 824 75 75 LEU HG H 1.970 . . 825 75 75 LEU HD1 H 0.783 . . 826 75 75 LEU HD2 H 0.694 . . 827 75 75 LEU C C 176.820 . . 828 75 75 LEU CA C 54.400 . . 829 75 75 LEU CB C 43.280 . . 830 75 75 LEU CG C 26.000 . . 831 75 75 LEU CD1 C 28.700 . . 832 75 75 LEU CD2 C 23.000 . . 833 75 75 LEU N N 118.316 . . 834 76 76 ASN H H 9.890 . . 835 76 76 ASN HA H 4.890 . . 836 76 76 ASN HB2 H 2.934 . . 837 76 76 ASN HB3 H 2.700 . . 838 76 76 ASN HD21 H 6.854 . . 839 76 76 ASN HD22 H 7.581 . . 840 76 76 ASN C C 174.950 . . 841 76 76 ASN CA C 52.050 . . 842 76 76 ASN CB C 37.500 . . 843 76 76 ASN N N 123.045 . . 844 76 76 ASN ND2 N 111.800 . . 845 77 77 LEU H H 8.730 . . 846 77 77 LEU HA H 4.370 . . 847 77 77 LEU HB2 H 1.460 . . 848 77 77 LEU HB3 H 1.256 . . 849 77 77 LEU HG H 0.602 . . 850 77 77 LEU HD1 H 0.533 . . 851 77 77 LEU HD2 H 0.622 . . 852 77 77 LEU C C 175.040 . . 853 77 77 LEU CA C 52.250 . . 854 77 77 LEU CB C 42.900 . . 855 77 77 LEU CG C 25.200 . . 856 77 77 LEU CD1 C 22.070 . . 857 77 77 LEU CD2 C 22.150 . . 858 77 77 LEU N N 123.494 . . 859 78 78 GLU H H 7.682 . . 860 78 78 GLU HA H 3.900 . . 861 78 78 GLU HB2 H 2.009 . . 862 78 78 GLU HB3 H 2.070 . . 863 78 78 GLU HG2 H 2.325 . . 864 78 78 GLU HG3 H 2.373 . . 865 78 78 GLU C C 178.660 . . 866 78 78 GLU CA C 58.760 . . 867 78 78 GLU CB C 29.400 . . 868 78 78 GLU CG C 36.000 . . 869 78 78 GLU N N 120.870 . . 870 79 79 GLY H H 8.474 . . 871 79 79 GLY HA2 H 4.288 . . 872 79 79 GLY HA3 H 3.650 . . 873 79 79 GLY C C 174.460 . . 874 79 79 GLY CA C 45.430 . . 875 79 79 GLY N N 113.240 . . 876 80 80 LYS H H 7.805 . . 877 80 80 LYS HA H 4.358 . . 878 80 80 LYS HB2 H 1.686 . . 879 80 80 LYS HB3 H 1.590 . . 880 80 80 LYS HG2 H 1.517 . . 881 80 80 LYS HG3 H 1.250 . . 882 80 80 LYS HD2 H 1.500 . . 883 80 80 LYS HD3 H 1.910 . . 884 80 80 LYS HE2 H 3.400 . . 885 80 80 LYS HE3 H 3.090 . . 886 80 80 LYS C C 175.360 . . 887 80 80 LYS CA C 56.970 . . 888 80 80 LYS CB C 33.200 . . 889 80 80 LYS CG C 26.680 . . 890 80 80 LYS CD C 28.500 . . 891 80 80 LYS CE C 43.540 . . 892 80 80 LYS N N 120.295 . . 893 81 81 ILE H H 7.400 . . 894 81 81 ILE HA H 4.793 . . 895 81 81 ILE HB H 1.892 . . 896 81 81 ILE HG12 H 1.635 . . 897 81 81 ILE HG13 H 0.963 . . 898 81 81 ILE HG2 H 0.845 . . 899 81 81 ILE HD1 H 0.708 . . 900 81 81 ILE C C 174.760 . . 901 81 81 ILE CA C 59.830 . . 902 81 81 ILE CB C 38.700 . . 903 81 81 ILE CG1 C 28.400 . . 904 81 81 ILE CG2 C 19.311 . . 905 81 81 ILE CD1 C 13.390 . . 906 81 81 ILE N N 122.400 . . 907 82 82 VAL H H 8.790 . . 908 82 82 VAL HA H 5.262 . . 909 82 82 VAL HB H 1.480 . . 910 82 82 VAL HG1 H 0.732 . . 911 82 82 VAL HG2 H 1.015 . . 912 82 82 VAL C C 172.724 . . 913 82 82 VAL CA C 60.410 . . 914 82 82 VAL CB C 35.400 . . 915 82 82 VAL CG1 C 22.050 . . 916 82 82 VAL CG2 C 23.000 . . 917 82 82 VAL N N 127.840 . . 918 83 83 ALA H H 9.300 . . 919 83 83 ALA HA H 5.382 . . 920 83 83 ALA HB H 1.360 . . 921 83 83 ALA C C 175.750 . . 922 83 83 ALA CA C 49.870 . . 923 83 83 ALA CB C 23.450 . . 924 83 83 ALA N N 131.347 . . 925 84 84 LEU H H 10.287 . . 926 84 84 LEU HA H 5.520 . . 927 84 84 LEU HB2 H 2.110 . . 928 84 84 LEU HB3 H 1.310 . . 929 84 84 LEU HG H 2.285 . . 930 84 84 LEU HD1 H 0.940 . . 931 84 84 LEU HD2 H 0.970 . . 932 84 84 LEU C C 175.760 . . 933 84 84 LEU CA C 53.500 . . 934 84 84 LEU CB C 44.900 . . 935 84 84 LEU CG C 26.680 . . 936 84 84 LEU CD1 C 26.510 . . 937 84 84 LEU CD2 C 26.400 . . 938 84 84 LEU N N 124.200 . . 939 85 85 TYR H H 9.257 . . 940 85 85 TYR HA H 4.960 . . 941 85 85 TYR HB2 H 2.060 . . 942 85 85 TYR HD1 H 6.780 . . 943 85 85 TYR HE1 H 6.402 . . 944 85 85 TYR C C 172.372 . . 945 85 85 TYR CA C 56.100 . . 946 85 85 TYR CB C 43.030 . . 947 85 85 TYR CD1 C 133.330 . . 948 85 85 TYR CE1 C 116.860 . . 949 85 85 TYR N N 115.912 . . 950 86 86 GLY H H 9.027 . . 951 86 86 GLY HA2 H 5.032 . . 952 86 86 GLY HA3 H 3.050 . . 953 86 86 GLY C C 170.330 . . 954 86 86 GLY CA C 44.370 . . 955 86 86 GLY N N 107.800 . . 956 87 87 LEU H H 6.580 . . 957 87 87 LEU HA H 5.465 . . 958 87 87 LEU HB2 H 1.963 . . 959 87 87 LEU HB3 H 1.310 . . 960 87 87 LEU HG H 1.945 . . 961 87 87 LEU HD1 H 0.985 . . 962 87 87 LEU HD2 H 1.002 . . 963 87 87 LEU C C 178.100 . . 964 87 87 LEU CA C 53.590 . . 965 87 87 LEU CB C 45.340 . . 966 87 87 LEU CG C 31.654 . . 967 87 87 LEU CD1 C 27.134 . . 968 87 87 LEU CD2 C 24.387 . . 969 87 87 LEU N N 123.458 . . 970 88 88 GLY H H 8.070 . . 971 88 88 GLY HA2 H 5.310 . . 972 88 88 GLY HA3 H 4.418 . . 973 88 88 GLY C C 172.820 . . 974 88 88 GLY CA C 46.660 . . 975 88 88 GLY N N 108.966 . . 976 89 89 ASP H H 8.416 . . 977 89 89 ASP HA H 5.246 . . 978 89 89 ASP HB2 H 3.010 . . 979 89 89 ASP HB3 H 2.690 . . 980 89 89 ASP C C 176.220 . . 981 89 89 ASP CA C 52.470 . . 982 89 89 ASP CB C 42.480 . . 983 89 89 ASP N N 121.150 . . 984 90 90 GLN H H 8.623 . . 985 90 90 GLN HA H 3.488 . . 986 90 90 GLN HB2 H 2.464 . . 987 90 90 GLN HB3 H 0.299 . . 988 90 90 GLN HG2 H 1.991 . . 989 90 90 GLN HG3 H 2.254 . . 990 90 90 GLN HE21 H 9.014 . . 991 90 90 GLN HE22 H 6.106 . . 992 90 90 GLN C C 173.646 . . 993 90 90 GLN CA C 58.310 . . 994 90 90 GLN CB C 28.210 . . 995 90 90 GLN CG C 33.880 . . 996 90 90 GLN N N 123.970 . . 997 90 90 GLN NE2 N 109.960 . . 998 91 91 LEU H H 7.046 . . 999 91 91 LEU HA H 4.375 . . 1000 91 91 LEU HB2 H 1.611 . . 1001 91 91 LEU HB3 H 1.475 . . 1002 91 91 LEU HG H 1.430 . . 1003 91 91 LEU HD1 H 0.852 . . 1004 91 91 LEU HD2 H 0.790 . . 1005 91 91 LEU C C 180.160 . . 1006 91 91 LEU CA C 56.060 . . 1007 91 91 LEU CB C 41.550 . . 1008 91 91 LEU CG C 27.526 . . 1009 91 91 LEU CD1 C 24.736 . . 1010 91 91 LEU CD2 C 22.633 . . 1011 91 91 LEU N N 118.017 . . 1012 92 92 GLY H H 9.238 . . 1013 92 92 GLY HA2 H 3.677 . . 1014 92 92 GLY HA3 H 3.121 . . 1015 92 92 GLY C C 174.912 . . 1016 92 92 GLY CA C 46.180 . . 1017 92 92 GLY N N 110.028 . . 1018 93 93 TYR H H 6.962 . . 1019 93 93 TYR HA H 5.009 . . 1020 93 93 TYR HB2 H 3.310 . . 1021 93 93 TYR HB3 H 2.668 . . 1022 93 93 TYR HD1 H 6.360 . . 1023 93 93 TYR HE1 H 7.460 . . 1024 93 93 TYR C C 176.850 . . 1025 93 93 TYR CA C 56.730 . . 1026 93 93 TYR CB C 38.130 . . 1027 93 93 TYR CD1 C 132.628 . . 1028 93 93 TYR CE1 C 119.715 . . 1029 93 93 TYR N N 115.910 . . 1030 94 94 GLY H H 7.835 . . 1031 94 94 GLY HA2 H 4.307 . . 1032 94 94 GLY HA3 H 4.000 . . 1033 94 94 GLY C C 177.777 . . 1034 94 94 GLY CA C 50.030 . . 1035 94 94 GLY N N 111.630 . . 1036 95 95 GLU H H 8.570 . . 1037 95 95 GLU HA H 3.918 . . 1038 95 95 GLU HB2 H 0.450 . . 1039 95 95 GLU HB3 H 0.375 . . 1040 95 95 GLU HG2 H 1.457 . . 1041 95 95 GLU HG3 H 1.643 . . 1042 95 95 GLU C C 175.300 . . 1043 95 95 GLU CA C 58.100 . . 1044 95 95 GLU CB C 27.511 . . 1045 95 95 GLU CG C 36.240 . . 1046 95 95 GLU N N 122.450 . . 1047 96 96 TRP H H 8.070 . . 1048 96 96 TRP HA H 5.444 . . 1049 96 96 TRP HB2 H 3.681 . . 1050 96 96 TRP HB3 H 3.263 . . 1051 96 96 TRP HD1 H 7.346 . . 1052 96 96 TRP HE1 H 10.096 . . 1053 96 96 TRP HE3 H 7.473 . . 1054 96 96 TRP HZ2 H 7.525 . . 1055 96 96 TRP C C 179.280 . . 1056 96 96 TRP CA C 57.015 . . 1057 96 96 TRP CB C 30.020 . . 1058 96 96 TRP CD1 C 128.300 . . 1059 96 96 TRP CE3 C 119.600 . . 1060 96 96 TRP CZ2 C 115.850 . . 1061 96 96 TRP N N 118.790 . . 1062 96 96 TRP NE1 N 130.132 . . 1063 97 97 PHE H H 7.165 . . 1064 97 97 PHE HA H 5.305 . . 1065 97 97 PHE HB2 H 3.420 . . 1066 97 97 PHE HB3 H 3.056 . . 1067 97 97 PHE HD1 H 6.354 . . 1068 97 97 PHE HE1 H 6.590 . . 1069 97 97 PHE HZ H 6.835 . . 1070 97 97 PHE C C 173.227 . . 1071 97 97 PHE CA C 56.720 . . 1072 97 97 PHE CB C 39.940 . . 1073 97 97 PHE CD1 C 133.000 . . 1074 97 97 PHE CE1 C 131.500 . . 1075 97 97 PHE CZ C 128.600 . . 1076 97 97 PHE N N 128.067 . . 1077 98 98 LEU H H 7.453 . . 1078 98 98 LEU HA H 3.490 . . 1079 98 98 LEU HB2 H 1.325 . . 1080 98 98 LEU HB3 H 1.080 . . 1081 98 98 LEU HG H -0.575 . . 1082 98 98 LEU HD1 H -1.063 . . 1083 98 98 LEU HD2 H -0.113 . . 1084 98 98 LEU C C 179.365 . . 1085 98 98 LEU CA C 55.460 . . 1086 98 98 LEU CB C 38.230 . . 1087 98 98 LEU CG C 27.253 . . 1088 98 98 LEU CD1 C 24.350 . . 1089 98 98 LEU CD2 C 23.300 . . 1090 98 98 LEU N N 114.306 . . 1091 99 99 ASP H H 7.768 . . 1092 99 99 ASP HA H 3.933 . . 1093 99 99 ASP HB2 H 2.616 . . 1094 99 99 ASP HB3 H 2.433 . . 1095 99 99 ASP C C 178.800 . . 1096 99 99 ASP CA C 59.180 . . 1097 99 99 ASP CB C 40.430 . . 1098 99 99 ASP N N 122.354 . . 1099 100 100 ALA H H 8.682 . . 1100 100 100 ALA HA H 3.840 . . 1101 100 100 ALA HB H 1.106 . . 1102 100 100 ALA C C 178.500 . . 1103 100 100 ALA CA C 54.916 . . 1104 100 100 ALA CB C 19.660 . . 1105 100 100 ALA N N 118.568 . . 1106 101 101 LEU H H 6.637 . . 1107 101 101 LEU HA H 3.680 . . 1108 101 101 LEU HB2 H 2.090 . . 1109 101 101 LEU HB3 H 0.996 . . 1110 101 101 LEU HG H 1.152 . . 1111 101 101 LEU HD1 H 0.510 . . 1112 101 101 LEU HD2 H 0.340 . . 1113 101 101 LEU C C 178.930 . . 1114 101 101 LEU CA C 57.700 . . 1115 101 101 LEU CB C 42.400 . . 1116 101 101 LEU CG C 25.640 . . 1117 101 101 LEU CD1 C 25.700 . . 1118 101 101 LEU CD2 C 25.700 . . 1119 101 101 LEU N N 118.815 . . 1120 102 102 GLY H H 7.330 . . 1121 102 102 GLY HA2 H 3.587 . . 1122 102 102 GLY C C 175.530 . . 1123 102 102 GLY CA C 48.000 . . 1124 102 102 GLY N N 103.700 . . 1125 103 103 MET H H 8.407 . . 1126 103 103 MET HA H 4.254 . . 1127 103 103 MET HB2 H 2.242 . . 1128 103 103 MET HB3 H 2.062 . . 1129 103 103 MET HG2 H 2.725 . . 1130 103 103 MET HE H 2.026 . . 1131 103 103 MET C C 179.688 . . 1132 103 103 MET CA C 59.615 . . 1133 103 103 MET CB C 33.290 . . 1134 103 103 MET CG C 32.400 . . 1135 103 103 MET CE C 17.280 . . 1136 103 103 MET N N 120.330 . . 1137 104 104 LEU H H 8.330 . . 1138 104 104 LEU HA H 4.196 . . 1139 104 104 LEU HB2 H 1.332 . . 1140 104 104 LEU HB3 H 1.905 . . 1141 104 104 LEU HG H 1.312 . . 1142 104 104 LEU HD1 H 0.392 . . 1143 104 104 LEU HD2 H 0.206 . . 1144 104 104 LEU C C 177.620 . . 1145 104 104 LEU CA C 57.970 . . 1146 104 104 LEU CB C 41.300 . . 1147 104 104 LEU CG C 26.810 . . 1148 104 104 LEU CD1 C 22.360 . . 1149 104 104 LEU CD2 C 27.050 . . 1150 104 104 LEU N N 123.450 . . 1151 105 105 HIS H H 8.050 . . 1152 105 105 HIS HA H 3.877 . . 1153 105 105 HIS HB2 H 2.834 . . 1154 105 105 HIS HB3 H 3.340 . . 1155 105 105 HIS HD2 H 5.960 . . 1156 105 105 HIS HE1 H 6.207 . . 1157 105 105 HIS C C 177.100 . . 1158 105 105 HIS CA C 60.970 . . 1159 105 105 HIS CB C 28.593 . . 1160 105 105 HIS CD2 C 123.700 . . 1161 105 105 HIS CE1 C 130.680 . . 1162 105 105 HIS N N 119.040 . . 1163 106 106 ASP H H 8.636 . . 1164 106 106 ASP HA H 4.330 . . 1165 106 106 ASP HB2 H 2.900 . . 1166 106 106 ASP HB3 H 2.823 . . 1167 106 106 ASP C C 179.300 . . 1168 106 106 ASP CA C 57.810 . . 1169 106 106 ASP CB C 40.400 . . 1170 106 106 ASP N N 119.950 . . 1171 107 107 LYS H H 8.096 . . 1172 107 107 LYS HA H 4.133 . . 1173 107 107 LYS HB2 H 1.934 . . 1174 107 107 LYS HB3 H 1.810 . . 1175 107 107 LYS HG2 H 0.966 . . 1176 107 107 LYS HG3 H 0.580 . . 1177 107 107 LYS HD2 H 1.364 . . 1178 107 107 LYS HD3 H 1.280 . . 1179 107 107 LYS HE2 H 2.206 . . 1180 107 107 LYS HE3 H 1.943 . . 1181 107 107 LYS C C 178.100 . . 1182 107 107 LYS CA C 58.200 . . 1183 107 107 LYS CB C 32.360 . . 1184 107 107 LYS CG C 23.500 . . 1185 107 107 LYS CD C 28.580 . . 1186 107 107 LYS CE C 41.550 . . 1187 107 107 LYS N N 122.060 . . 1188 108 108 LEU H H 7.828 . . 1189 108 108 LEU HA H 4.068 . . 1190 108 108 LEU HB2 H 1.918 . . 1191 108 108 LEU HB3 H 1.465 . . 1192 108 108 LEU HG H 1.760 . . 1193 108 108 LEU HD1 H 0.557 . . 1194 108 108 LEU HD2 H 0.780 . . 1195 108 108 LEU C C 178.866 . . 1196 108 108 LEU CA C 55.954 . . 1197 108 108 LEU CB C 42.160 . . 1198 108 108 LEU CG C 27.250 . . 1199 108 108 LEU CD1 C 21.763 . . 1200 108 108 LEU CD2 C 27.100 . . 1201 108 108 LEU N N 115.610 . . 1202 109 109 SER H H 8.278 . . 1203 109 109 SER HA H 4.299 . . 1204 109 109 SER HB2 H 4.117 . . 1205 109 109 SER HB3 H 4.048 . . 1206 109 109 SER C C 175.660 . . 1207 109 109 SER CA C 62.350 . . 1208 109 109 SER CB C 62.815 . . 1209 109 109 SER N N 116.362 . . 1210 110 110 THR H H 7.211 . . 1211 110 110 THR HA H 4.615 . . 1212 110 110 THR HB H 4.595 . . 1213 110 110 THR HG2 H 1.322 . . 1214 110 110 THR C C 175.990 . . 1215 110 110 THR CA C 62.090 . . 1216 110 110 THR CB C 68.800 . . 1217 110 110 THR CG2 C 21.752 . . 1218 110 110 THR N N 110.230 . . 1219 111 111 LYS H H 7.682 . . 1220 111 111 LYS HA H 4.512 . . 1221 111 111 LYS HB2 H 2.160 . . 1222 111 111 LYS HB3 H 1.816 . . 1223 111 111 LYS HG2 H 1.526 . . 1224 111 111 LYS HD2 H 1.743 . . 1225 111 111 LYS HD3 H 1.563 . . 1226 111 111 LYS HE2 H 3.102 . . 1227 111 111 LYS C C 176.916 . . 1228 111 111 LYS CA C 55.654 . . 1229 111 111 LYS CB C 30.843 . . 1230 111 111 LYS CG C 23.700 . . 1231 111 111 LYS CD C 27.320 . . 1232 111 111 LYS CE C 40.700 . . 1233 111 111 LYS N N 119.900 . . 1234 112 112 GLY H H 8.366 . . 1235 112 112 GLY HA2 H 4.041 . . 1236 112 112 GLY HA3 H 3.900 . . 1237 112 112 GLY C C 176.250 . . 1238 112 112 GLY CA C 47.040 . . 1239 112 112 GLY N N 107.910 . . 1240 113 113 VAL H H 6.903 . . 1241 113 113 VAL HA H 4.474 . . 1242 113 113 VAL HB H 1.765 . . 1243 113 113 VAL HG1 H -0.151 . . 1244 113 113 VAL HG2 H 0.621 . . 1245 113 113 VAL C C 174.630 . . 1246 113 113 VAL CA C 59.450 . . 1247 113 113 VAL CB C 32.550 . . 1248 113 113 VAL CG1 C 17.840 . . 1249 113 113 VAL CG2 C 22.180 . . 1250 113 113 VAL N N 113.530 . . 1251 114 114 LYS H H 8.503 . . 1252 114 114 LYS HA H 4.505 . . 1253 114 114 LYS HB2 H 1.480 . . 1254 114 114 LYS HG2 H 1.061 . . 1255 114 114 LYS HG3 H 1.148 . . 1256 114 114 LYS HD2 H 1.463 . . 1257 114 114 LYS HE2 H 2.840 . . 1258 114 114 LYS C C 175.000 . . 1259 114 114 LYS CA C 54.200 . . 1260 114 114 LYS CB C 33.340 . . 1261 114 114 LYS CG C 24.720 . . 1262 114 114 LYS CD C 29.140 . . 1263 114 114 LYS CE C 42.300 . . 1264 114 114 LYS N N 123.020 . . 1265 115 115 PHE H H 8.494 . . 1266 115 115 PHE HA H 5.713 . . 1267 115 115 PHE HB2 H 3.141 . . 1268 115 115 PHE HB3 H 2.912 . . 1269 115 115 PHE HD1 H 7.524 . . 1270 115 115 PHE HE1 H 6.933 . . 1271 115 115 PHE HZ H 6.875 . . 1272 115 115 PHE C C 177.605 . . 1273 115 115 PHE CA C 58.610 . . 1274 115 115 PHE CB C 41.000 . . 1275 115 115 PHE CD1 C 132.714 . . 1276 115 115 PHE CE1 C 129.930 . . 1277 115 115 PHE N N 123.290 . . 1278 116 116 VAL H H 8.889 . . 1279 116 116 VAL HA H 4.492 . . 1280 116 116 VAL HB H 2.371 . . 1281 116 116 VAL HG1 H 0.735 . . 1282 116 116 VAL HG2 H 0.581 . . 1283 116 116 VAL C C 175.414 . . 1284 116 116 VAL CA C 58.986 . . 1285 116 116 VAL CB C 34.100 . . 1286 116 116 VAL CG1 C 22.520 . . 1287 116 116 VAL CG2 C 18.300 . . 1288 116 116 VAL N N 115.790 . . 1289 117 117 GLY H H 9.810 . . 1290 117 117 GLY HA2 H 4.293 . . 1291 117 117 GLY HA3 H 3.692 . . 1292 117 117 GLY C C 176.180 . . 1293 117 117 GLY CA C 47.800 . . 1294 117 117 GLY N N 108.300 . . 1295 118 118 TYR H H 8.592 . . 1296 118 118 TYR HA H 4.954 . . 1297 118 118 TYR HB2 H 3.236 . . 1298 118 118 TYR HB3 H 3.090 . . 1299 118 118 TYR HD2 H 6.986 . . 1300 118 118 TYR HE2 H 6.683 . . 1301 118 118 TYR C C 177.450 . . 1302 118 118 TYR CA C 56.240 . . 1303 118 118 TYR CB C 36.110 . . 1304 118 118 TYR CD2 C 131.500 . . 1305 118 118 TYR CE2 C 118.090 . . 1306 118 118 TYR N N 120.050 . . 1307 119 119 TRP H H 7.926 . . 1308 119 119 TRP HA H 6.028 . . 1309 119 119 TRP HB2 H 3.610 . . 1310 119 119 TRP HB3 H 3.220 . . 1311 119 119 TRP HD1 H 7.334 . . 1312 119 119 TRP HE1 H 10.112 . . 1313 119 119 TRP HE3 H 8.308 . . 1314 119 119 TRP HZ2 H 7.697 . . 1315 119 119 TRP C C 173.090 . . 1316 119 119 TRP CA C 53.900 . . 1317 119 119 TRP CB C 36.250 . . 1318 119 119 TRP CD1 C 126.200 . . 1319 119 119 TRP CE3 C 121.900 . . 1320 119 119 TRP CZ2 C 114.028 . . 1321 119 119 TRP N N 125.500 . . 1322 119 119 TRP NE1 N 128.474 . . 1323 120 120 PRO HA H 4.810 . . 1324 120 120 PRO HB2 H 2.527 . . 1325 120 120 PRO HB3 H 1.860 . . 1326 120 120 PRO HG2 H 1.706 . . 1327 120 120 PRO HD2 H 3.800 . . 1328 120 120 PRO HD3 H 2.208 . . 1329 120 120 PRO CA C 63.680 . . 1330 120 120 PRO CB C 32.250 . . 1331 120 120 PRO CG C 27.900 . . 1332 120 120 PRO CD C 51.350 . . 1333 121 121 THR H H 7.356 . . 1334 121 121 THR HA H 4.142 . . 1335 121 121 THR HB H 4.280 . . 1336 121 121 THR HG2 H -0.132 . . 1337 121 121 THR C C 176.300 . . 1338 121 121 THR CA C 61.230 . . 1339 121 121 THR CB C 69.890 . . 1340 121 121 THR CG2 C 21.000 . . 1341 121 121 THR N N 109.114 . . 1342 122 122 GLU H H 7.265 . . 1343 122 122 GLU HA H 4.238 . . 1344 122 122 GLU HB2 H 2.070 . . 1345 122 122 GLU HB3 H 1.950 . . 1346 122 122 GLU HG2 H 2.300 . . 1347 122 122 GLU C C 177.830 . . 1348 122 122 GLU CA C 58.230 . . 1349 122 122 GLU CB C 29.770 . . 1350 122 122 GLU CG C 35.800 . . 1351 122 122 GLU N N 123.980 . . 1352 123 123 GLY H H 9.181 . . 1353 123 123 GLY HA2 H 3.649 . . 1354 123 123 GLY HA3 H 4.236 . . 1355 123 123 GLY C C 173.700 . . 1356 123 123 GLY CA C 45.400 . . 1357 123 123 GLY N N 114.570 . . 1358 124 124 TYR H H 7.877 . . 1359 124 124 TYR HA H 5.310 . . 1360 124 124 TYR HB2 H 3.418 . . 1361 124 124 TYR HB3 H 2.855 . . 1362 124 124 TYR HD1 H 7.000 . . 1363 124 124 TYR HE1 H 7.380 . . 1364 124 124 TYR C C 175.680 . . 1365 124 124 TYR CA C 56.470 . . 1366 124 124 TYR CB C 41.000 . . 1367 124 124 TYR N N 118.923 . . 1368 125 125 GLU H H 9.225 . . 1369 125 125 GLU HA H 4.700 . . 1370 125 125 GLU HB2 H 1.883 . . 1371 125 125 GLU HB3 H 1.795 . . 1372 125 125 GLU HG2 H 2.093 . . 1373 125 125 GLU C C 172.880 . . 1374 125 125 GLU CA C 55.430 . . 1375 125 125 GLU CB C 31.420 . . 1376 125 125 GLU CG C 35.860 . . 1377 125 125 GLU N N 124.890 . . 1378 126 126 PHE H H 7.716 . . 1379 126 126 PHE HA H 4.809 . . 1380 126 126 PHE HB2 H 3.470 . . 1381 126 126 PHE HB3 H 3.264 . . 1382 126 126 PHE HD1 H 7.230 . . 1383 126 126 PHE HE1 H 6.580 . . 1384 126 126 PHE C C 173.750 . . 1385 126 126 PHE CA C 56.790 . . 1386 126 126 PHE CB C 40.050 . . 1387 126 126 PHE CD1 C 132.300 . . 1388 126 126 PHE CE1 C 131.500 . . 1389 126 126 PHE N N 119.166 . . 1390 127 127 THR H H 7.220 . . 1391 127 127 THR HA H 4.400 . . 1392 127 127 THR HB H 4.225 . . 1393 127 127 THR HG2 H 1.000 . . 1394 127 127 THR C C 175.300 . . 1395 127 127 THR CA C 61.100 . . 1396 127 127 THR CB C 70.600 . . 1397 127 127 THR CG2 C 21.900 . . 1398 127 127 THR N N 106.800 . . 1399 128 128 SER H H 7.411 . . 1400 128 128 SER HA H 4.680 . . 1401 128 128 SER HB2 H 4.057 . . 1402 128 128 SER HB3 H 4.142 . . 1403 128 128 SER C C 175.720 . . 1404 128 128 SER CA C 56.250 . . 1405 128 128 SER CB C 65.635 . . 1406 128 128 SER N N 118.360 . . 1407 129 129 PRO HA H 4.775 . . 1408 129 129 PRO HB2 H 2.230 . . 1409 129 129 PRO HB3 H 2.078 . . 1410 129 129 PRO HG2 H 2.135 . . 1411 129 129 PRO HG3 H 1.935 . . 1412 129 129 PRO HD2 H 4.125 . . 1413 129 129 PRO HD3 H 4.004 . . 1414 129 129 PRO CA C 62.500 . . 1415 129 129 PRO CB C 32.400 . . 1416 129 129 PRO CG C 26.550 . . 1417 129 129 PRO CD C 50.740 . . 1418 130 130 LYS H H 8.445 . . 1419 130 130 LYS HA H 4.233 . . 1420 130 130 LYS HB2 H 2.070 . . 1421 130 130 LYS HB3 H 1.643 . . 1422 130 130 LYS HG2 H 1.431 . . 1423 130 130 LYS HG3 H 1.666 . . 1424 130 130 LYS HD2 H 1.679 . . 1425 130 130 LYS HE2 H 3.034 . . 1426 130 130 LYS CA C 61.700 . . 1427 130 130 LYS CB C 30.570 . . 1428 130 130 LYS CG C 26.900 . . 1429 130 130 LYS CD C 29.700 . . 1430 130 130 LYS CE C 42.320 . . 1431 130 130 LYS N N 122.014 . . 1432 131 131 PRO HA H 4.518 . . 1433 131 131 PRO HB2 H 2.082 . . 1434 131 131 PRO HG2 H 2.728 . . 1435 131 131 PRO HG3 H 1.648 . . 1436 131 131 PRO HD2 H 3.932 . . 1437 131 131 PRO HD3 H 3.473 . . 1438 131 131 PRO C C 174.000 . . 1439 131 131 PRO CA C 64.700 . . 1440 131 131 PRO CB C 31.200 . . 1441 131 131 PRO CG C 26.110 . . 1442 131 131 PRO CD C 49.700 . . 1443 132 132 VAL H H 6.697 . . 1444 132 132 VAL HA H 5.200 . . 1445 132 132 VAL HB H 1.947 . . 1446 132 132 VAL HG1 H 0.920 . . 1447 132 132 VAL HG2 H 0.820 . . 1448 132 132 VAL C C 175.210 . . 1449 132 132 VAL CA C 59.620 . . 1450 132 132 VAL CB C 34.980 . . 1451 132 132 VAL CG1 C 19.140 . . 1452 132 132 VAL CG2 C 23.180 . . 1453 132 132 VAL N N 113.260 . . 1454 133 133 ILE H H 8.756 . . 1455 133 133 ILE HA H 4.380 . . 1456 133 133 ILE HB H 1.684 . . 1457 133 133 ILE HG12 H 0.906 . . 1458 133 133 ILE HG13 H 0.485 . . 1459 133 133 ILE HG2 H 0.422 . . 1460 133 133 ILE HD1 H 0.110 . . 1461 133 133 ILE C C 175.440 . . 1462 133 133 ILE CA C 60.450 . . 1463 133 133 ILE CB C 42.100 . . 1464 133 133 ILE CG1 C 26.600 . . 1465 133 133 ILE CG2 C 17.688 . . 1466 133 133 ILE CD1 C 13.356 . . 1467 133 133 ILE N N 119.940 . . 1468 134 134 ALA H H 8.523 . . 1469 134 134 ALA HA H 3.960 . . 1470 134 134 ALA HB H 1.297 . . 1471 134 134 ALA C C 178.312 . . 1472 134 134 ALA CA C 53.080 . . 1473 134 134 ALA CB C 16.836 . . 1474 134 134 ALA N N 122.632 . . 1475 135 135 ASP H H 8.635 . . 1476 135 135 ASP HA H 4.252 . . 1477 135 135 ASP HB2 H 2.903 . . 1478 135 135 ASP HB3 H 2.663 . . 1479 135 135 ASP C C 176.387 . . 1480 135 135 ASP CA C 55.210 . . 1481 135 135 ASP CB C 39.700 . . 1482 135 135 ASP N N 117.366 . . 1483 136 136 GLY H H 7.610 . . 1484 136 136 GLY HA2 H 4.248 . . 1485 136 136 GLY HA3 H 3.328 . . 1486 136 136 GLY C C 174.922 . . 1487 136 136 GLY CA C 45.100 . . 1488 136 136 GLY N N 104.310 . . 1489 137 137 GLN H H 7.870 . . 1490 137 137 GLN HA H 4.055 . . 1491 137 137 GLN HB2 H 2.250 . . 1492 137 137 GLN HB3 H 2.134 . . 1493 137 137 GLN HG2 H 2.503 . . 1494 137 137 GLN HG3 H 2.325 . . 1495 137 137 GLN HE21 H 6.818 . . 1496 137 137 GLN HE22 H 7.483 . . 1497 137 137 GLN C C 176.390 . . 1498 137 137 GLN CA C 57.640 . . 1499 137 137 GLN CB C 30.230 . . 1500 137 137 GLN CG C 34.500 . . 1501 137 137 GLN N N 118.784 . . 1502 137 137 GLN NE2 N 112.800 . . 1503 138 138 LEU H H 7.356 . . 1504 138 138 LEU HA H 4.987 . . 1505 138 138 LEU HB2 H 1.220 . . 1506 138 138 LEU HB3 H 1.316 . . 1507 138 138 LEU HG H 1.320 . . 1508 138 138 LEU HD1 H 0.828 . . 1509 138 138 LEU HD2 H 0.780 . . 1510 138 138 LEU C C 175.913 . . 1511 138 138 LEU CA C 53.600 . . 1512 138 138 LEU CB C 46.400 . . 1513 138 138 LEU CG C 26.560 . . 1514 138 138 LEU CD1 C 25.761 . . 1515 138 138 LEU CD2 C 22.800 . . 1516 138 138 LEU N N 118.040 . . 1517 139 139 PHE H H 10.094 . . 1518 139 139 PHE HA H 5.310 . . 1519 139 139 PHE HB2 H 3.560 . . 1520 139 139 PHE HB3 H 3.043 . . 1521 139 139 PHE HD2 H 6.860 . . 1522 139 139 PHE HE2 H 6.055 . . 1523 139 139 PHE HZ H 6.828 . . 1524 139 139 PHE C C 178.780 . . 1525 139 139 PHE CA C 56.850 . . 1526 139 139 PHE CB C 43.460 . . 1527 139 139 PHE CD2 C 131.500 . . 1528 139 139 PHE CE2 C 131.500 . . 1529 139 139 PHE CZ C 128.500 . . 1530 139 139 PHE N N 119.060 . . 1531 140 140 VAL H H 7.470 . . 1532 140 140 VAL HA H 3.481 . . 1533 140 140 VAL HB H 1.790 . . 1534 140 140 VAL HG1 H 0.447 . . 1535 140 140 VAL HG2 H -0.140 . . 1536 140 140 VAL C C 172.790 . . 1537 140 140 VAL CA C 62.000 . . 1538 140 140 VAL CB C 30.550 . . 1539 140 140 VAL CG1 C 18.200 . . 1540 140 140 VAL CG2 C 21.155 . . 1541 140 140 VAL N N 109.690 . . 1542 141 141 GLY H H 7.137 . . 1543 141 141 GLY HA2 H 4.619 . . 1544 141 141 GLY HA3 H 3.925 . . 1545 141 141 GLY C C 171.513 . . 1546 141 141 GLY CA C 45.430 . . 1547 141 141 GLY N N 107.060 . . 1548 142 142 LEU H H 7.517 . . 1549 142 142 LEU HA H 2.975 . . 1550 142 142 LEU HB2 H 0.053 . . 1551 142 142 LEU HB3 H -1.666 . . 1552 142 142 LEU HG H -0.258 . . 1553 142 142 LEU HD1 H -0.877 . . 1554 142 142 LEU C C 173.640 . . 1555 142 142 LEU CA C 55.920 . . 1556 142 142 LEU CB C 37.550 . . 1557 142 142 LEU CG C 24.750 . . 1558 142 142 LEU CD1 C 20.120 . . 1559 142 142 LEU N N 117.863 . . 1560 143 143 ALA H H 5.186 . . 1561 143 143 ALA HA H 4.277 . . 1562 143 143 ALA HB H 0.085 . . 1563 143 143 ALA C C 175.730 . . 1564 143 143 ALA CA C 49.440 . . 1565 143 143 ALA CB C 23.310 . . 1566 143 143 ALA N N 126.990 . . 1567 144 144 LEU H H 8.758 . . 1568 144 144 LEU HA H 4.780 . . 1569 144 144 LEU HB2 H 1.330 . . 1570 144 144 LEU HB3 H 1.945 . . 1571 144 144 LEU HG H 0.602 . . 1572 144 144 LEU HD1 H 0.830 . . 1573 144 144 LEU HD2 H 1.167 . . 1574 144 144 LEU C C 174.473 . . 1575 144 144 LEU CA C 53.240 . . 1576 144 144 LEU CB C 45.300 . . 1577 144 144 LEU CG C 25.200 . . 1578 144 144 LEU CD1 C 22.823 . . 1579 144 144 LEU CD2 C 26.900 . . 1580 144 144 LEU N N 125.477 . . 1581 145 145 ASP H H 8.164 . . 1582 145 145 ASP HA H 5.532 . . 1583 145 145 ASP HB2 H 2.840 . . 1584 145 145 ASP HB3 H 2.668 . . 1585 145 145 ASP C C 176.470 . . 1586 145 145 ASP CA C 52.630 . . 1587 145 145 ASP CB C 43.000 . . 1588 145 145 ASP N N 118.915 . . 1589 146 146 GLU H H 9.490 . . 1590 146 146 GLU HA H 4.376 . . 1591 146 146 GLU HB2 H 2.208 . . 1592 146 146 GLU HB3 H 1.304 . . 1593 146 146 GLU HG2 H 2.529 . . 1594 146 146 GLU HG3 H 2.210 . . 1595 146 146 GLU C C 177.290 . . 1596 146 146 GLU CA C 56.120 . . 1597 146 146 GLU CB C 30.150 . . 1598 146 146 GLU CG C 36.050 . . 1599 146 146 GLU N N 124.813 . . 1600 147 147 THR H H 8.562 . . 1601 147 147 THR HA H 4.200 . . 1602 147 147 THR HB H 4.225 . . 1603 147 147 THR HG2 H 1.250 . . 1604 147 147 THR C C 175.683 . . 1605 147 147 THR CA C 66.250 . . 1606 147 147 THR CB C 69.600 . . 1607 147 147 THR CG2 C 21.570 . . 1608 147 147 THR N N 118.328 . . 1609 148 148 ASN H H 9.118 . . 1610 148 148 ASN HA H 4.987 . . 1611 148 148 ASN HB2 H 2.880 . . 1612 148 148 ASN HB3 H 2.330 . . 1613 148 148 ASN HD21 H 8.091 . . 1614 148 148 ASN HD22 H 9.915 . . 1615 148 148 ASN C C 175.870 . . 1616 148 148 ASN CA C 53.700 . . 1617 148 148 ASN CB C 41.880 . . 1618 148 148 ASN N N 115.550 . . 1619 148 148 ASN ND2 N 125.045 . . 1620 149 149 GLN H H 7.555 . . 1621 149 149 GLN HA H 4.843 . . 1622 149 149 GLN HB2 H 2.252 . . 1623 149 149 GLN HB3 H 2.135 . . 1624 149 149 GLN HG2 H 2.445 . . 1625 149 149 GLN HG3 H 1.845 . . 1626 149 149 GLN HE21 H 6.741 . . 1627 149 149 GLN HE22 H 7.746 . . 1628 149 149 GLN C C 177.780 . . 1629 149 149 GLN CA C 53.900 . . 1630 149 149 GLN CB C 29.300 . . 1631 149 149 GLN CG C 33.340 . . 1632 149 149 GLN N N 117.400 . . 1633 149 149 GLN NE2 N 115.100 . . 1634 150 150 TYR H H 6.983 . . 1635 150 150 TYR HA H 4.528 . . 1636 150 150 TYR HB2 H 3.448 . . 1637 150 150 TYR HB3 H 3.355 . . 1638 150 150 TYR HD1 H 7.093 . . 1639 150 150 TYR HE1 H 6.942 . . 1640 150 150 TYR C C 177.830 . . 1641 150 150 TYR CA C 58.487 . . 1642 150 150 TYR CB C 36.600 . . 1643 150 150 TYR CD1 C 133.932 . . 1644 150 150 TYR CE1 C 118.890 . . 1645 150 150 TYR N N 120.674 . . 1646 151 151 ASP H H 8.626 . . 1647 151 151 ASP HA H 4.515 . . 1648 151 151 ASP HB2 H 2.577 . . 1649 151 151 ASP C C 176.400 . . 1650 151 151 ASP CA C 55.400 . . 1651 151 151 ASP CB C 39.080 . . 1652 151 151 ASP N N 120.810 . . 1653 152 152 LEU H H 7.453 . . 1654 152 152 LEU HA H 4.676 . . 1655 152 152 LEU HB2 H 1.649 . . 1656 152 152 LEU HG H 1.511 . . 1657 152 152 LEU HD1 H 0.794 . . 1658 152 152 LEU HD2 H 0.780 . . 1659 152 152 LEU C C 178.470 . . 1660 152 152 LEU CA C 54.600 . . 1661 152 152 LEU CB C 42.600 . . 1662 152 152 LEU CG C 25.360 . . 1663 152 152 LEU CD1 C 22.280 . . 1664 152 152 LEU CD2 C 25.750 . . 1665 152 152 LEU N N 118.083 . . 1666 153 153 SER H H 7.360 . . 1667 153 153 SER HA H 3.960 . . 1668 153 153 SER HB2 H 4.158 . . 1669 153 153 SER HB3 H 3.836 . . 1670 153 153 SER C C 174.590 . . 1671 153 153 SER CA C 63.400 . . 1672 153 153 SER CB C 63.100 . . 1673 153 153 SER N N 116.407 . . 1674 154 154 ASP H H 9.046 . . 1675 154 154 ASP HA H 4.310 . . 1676 154 154 ASP HB2 H 2.648 . . 1677 154 154 ASP C C 178.640 . . 1678 154 154 ASP CA C 59.000 . . 1679 154 154 ASP CB C 39.570 . . 1680 154 154 ASP N N 121.960 . . 1681 155 155 GLU H H 8.593 . . 1682 155 155 GLU HA H 4.185 . . 1683 155 155 GLU HB2 H 2.176 . . 1684 155 155 GLU HG2 H 2.415 . . 1685 155 155 GLU HG3 H 2.478 . . 1686 155 155 GLU C C 179.600 . . 1687 155 155 GLU CA C 59.450 . . 1688 155 155 GLU CB C 29.400 . . 1689 155 155 GLU CG C 36.480 . . 1690 155 155 GLU N N 121.310 . . 1691 156 156 ARG H H 8.163 . . 1692 156 156 ARG HA H 4.300 . . 1693 156 156 ARG HB2 H 1.920 . . 1694 156 156 ARG HB3 H 1.660 . . 1695 156 156 ARG HG2 H 2.390 . . 1696 156 156 ARG HG3 H 2.173 . . 1697 156 156 ARG HD2 H 3.130 . . 1698 156 156 ARG HD3 H 2.918 . . 1699 156 156 ARG C C 177.330 . . 1700 156 156 ARG CA C 60.460 . . 1701 156 156 ARG CB C 30.760 . . 1702 156 156 ARG CG C 28.400 . . 1703 156 156 ARG CD C 44.330 . . 1704 156 156 ARG N N 121.394 . . 1705 157 157 ILE H H 8.966 . . 1706 157 157 ILE HA H 3.434 . . 1707 157 157 ILE HB H 1.807 . . 1708 157 157 ILE HG12 H 0.375 . . 1709 157 157 ILE HG13 H 1.915 . . 1710 157 157 ILE HG2 H 0.730 . . 1711 157 157 ILE HD1 H 0.723 . . 1712 157 157 ILE C C 178.814 . . 1713 157 157 ILE CA C 66.694 . . 1714 157 157 ILE CB C 38.853 . . 1715 157 157 ILE CG1 C 31.380 . . 1716 157 157 ILE CG2 C 19.060 . . 1717 157 157 ILE CD1 C 13.900 . . 1718 157 157 ILE N N 118.390 . . 1719 158 158 GLN H H 8.394 . . 1720 158 158 GLN HA H 3.956 . . 1721 158 158 GLN HB2 H 2.262 . . 1722 158 158 GLN HB3 H 2.292 . . 1723 158 158 GLN HG2 H 2.477 . . 1724 158 158 GLN HE21 H 6.812 . . 1725 158 158 GLN HE22 H 7.736 . . 1726 158 158 GLN C C 178.843 . . 1727 158 158 GLN CA C 60.600 . . 1728 158 158 GLN CB C 28.390 . . 1729 158 158 GLN CG C 33.750 . . 1730 158 158 GLN N N 120.060 . . 1731 158 158 GLN NE2 N 112.750 . . 1732 159 159 SER H H 8.460 . . 1733 159 159 SER HA H 4.455 . . 1734 159 159 SER HB2 H 4.509 . . 1735 159 159 SER HB3 H 4.425 . . 1736 159 159 SER C C 177.330 . . 1737 159 159 SER CA C 62.400 . . 1738 159 159 SER CB C 63.760 . . 1739 159 159 SER N N 115.613 . . 1740 160 160 TRP H H 9.318 . . 1741 160 160 TRP HA H 4.465 . . 1742 160 160 TRP HB2 H 3.085 . . 1743 160 160 TRP HB3 H 2.753 . . 1744 160 160 TRP HD1 H 7.355 . . 1745 160 160 TRP HE1 H 11.495 . . 1746 160 160 TRP HE3 H 7.435 . . 1747 160 160 TRP HZ2 H 7.730 . . 1748 160 160 TRP HZ3 H 6.630 . . 1749 160 160 TRP HH2 H 6.830 . . 1750 160 160 TRP C C 178.050 . . 1751 160 160 TRP CA C 62.700 . . 1752 160 160 TRP CB C 29.360 . . 1753 160 160 TRP CD1 C 126.220 . . 1754 160 160 TRP CE3 C 122.100 . . 1755 160 160 TRP CZ2 C 116.060 . . 1756 160 160 TRP CH2 C 123.770 . . 1757 160 160 TRP N N 126.820 . . 1758 160 160 TRP NE1 N 134.294 . . 1759 161 161 CYS H H 8.950 . . 1760 161 161 CYS HA H 3.883 . . 1761 161 161 CYS HB2 H 3.185 . . 1762 161 161 CYS HB3 H 2.387 . . 1763 161 161 CYS C C 176.270 . . 1764 161 161 CYS CA C 65.360 . . 1765 161 161 CYS CB C 27.880 . . 1766 161 161 CYS N N 116.750 . . 1767 162 162 GLU H H 7.550 . . 1768 162 162 GLU HA H 3.930 . . 1769 162 162 GLU HB2 H 2.238 . . 1770 162 162 GLU HB3 H 2.200 . . 1771 162 162 GLU HG2 H 2.503 . . 1772 162 162 GLU C C 178.680 . . 1773 162 162 GLU CA C 59.730 . . 1774 162 162 GLU CB C 29.430 . . 1775 162 162 GLU CG C 36.260 . . 1776 162 162 GLU N N 118.096 . . 1777 163 163 GLN H H 8.205 . . 1778 163 163 GLN HA H 4.177 . . 1779 163 163 GLN HB2 H 2.510 . . 1780 163 163 GLN HB3 H 2.460 . . 1781 163 163 GLN HG2 H 2.330 . . 1782 163 163 GLN HG3 H 2.525 . . 1783 163 163 GLN HE21 H 7.742 . . 1784 163 163 GLN HE22 H 7.742 . . 1785 163 163 GLN C C 179.690 . . 1786 163 163 GLN CA C 59.540 . . 1787 163 163 GLN CB C 29.000 . . 1788 163 163 GLN CG C 32.600 . . 1789 163 163 GLN N N 120.790 . . 1790 163 163 GLN NE2 N 110.240 . . 1791 164 164 ILE H H 9.005 . . 1792 164 164 ILE HA H 4.043 . . 1793 164 164 ILE HB H 1.387 . . 1794 164 164 ILE HG12 H 1.178 . . 1795 164 164 ILE HG13 H 1.000 . . 1796 164 164 ILE HG2 H -0.030 . . 1797 164 164 ILE HD1 H -0.155 . . 1798 164 164 ILE C C 178.680 . . 1799 164 164 ILE CA C 66.210 . . 1800 164 164 ILE CB C 37.700 . . 1801 164 164 ILE CG1 C 24.950 . . 1802 164 164 ILE CG2 C 17.420 . . 1803 164 164 ILE CD1 C 12.465 . . 1804 164 164 ILE N N 114.860 . . 1805 165 165 LEU H H 7.825 . . 1806 165 165 LEU HA H 4.150 . . 1807 165 165 LEU HB2 H 1.935 . . 1808 165 165 LEU HB3 H 1.406 . . 1809 165 165 LEU HG H 1.845 . . 1810 165 165 LEU HD1 H 0.845 . . 1811 165 165 LEU HD2 H 0.865 . . 1812 165 165 LEU C C 180.520 . . 1813 165 165 LEU CA C 58.300 . . 1814 165 165 LEU CB C 41.050 . . 1815 165 165 LEU CG C 27.230 . . 1816 165 165 LEU CD1 C 22.470 . . 1817 165 165 LEU CD2 C 25.700 . . 1818 165 165 LEU N N 123.900 . . 1819 166 166 ASN H H 7.760 . . 1820 166 166 ASN HA H 4.583 . . 1821 166 166 ASN HB2 H 3.077 . . 1822 166 166 ASN HB3 H 2.908 . . 1823 166 166 ASN HD21 H 7.646 . . 1824 166 166 ASN HD22 H 7.032 . . 1825 166 166 ASN C C 178.440 . . 1826 166 166 ASN CA C 56.420 . . 1827 166 166 ASN CB C 38.420 . . 1828 166 166 ASN N N 120.112 . . 1829 166 166 ASN ND2 N 114.110 . . 1830 167 167 GLU H H 8.921 . . 1831 167 167 GLU HA H 4.103 . . 1832 167 167 GLU HB2 H 2.219 . . 1833 167 167 GLU HB3 H 2.108 . . 1834 167 167 GLU HG2 H 2.768 . . 1835 167 167 GLU HG3 H 2.234 . . 1836 167 167 GLU C C 180.332 . . 1837 167 167 GLU CA C 60.150 . . 1838 167 167 GLU CB C 31.020 . . 1839 167 167 GLU CG C 38.400 . . 1840 167 167 GLU N N 121.370 . . 1841 168 168 MET H H 8.718 . . 1842 168 168 MET HA H 4.015 . . 1843 168 168 MET HB2 H 2.261 . . 1844 168 168 MET HB3 H 2.037 . . 1845 168 168 MET HG2 H 2.702 . . 1846 168 168 MET HG3 H 2.746 . . 1847 168 168 MET HE H 1.784 . . 1848 168 168 MET C C 176.600 . . 1849 168 168 MET CA C 59.300 . . 1850 168 168 MET CB C 33.400 . . 1851 168 168 MET CG C 32.500 . . 1852 168 168 MET CE C 17.000 . . 1853 168 168 MET N N 118.532 . . 1854 169 169 ALA H H 7.448 . . 1855 169 169 ALA HA H 4.174 . . 1856 169 169 ALA HB H 1.562 . . 1857 169 169 ALA C C 179.410 . . 1858 169 169 ALA CA C 54.400 . . 1859 169 169 ALA CB C 18.410 . . 1860 169 169 ALA N N 121.922 . . 1861 170 170 GLU H H 7.734 . . 1862 170 170 GLU HA H 4.095 . . 1863 170 170 GLU HB2 H 1.958 . . 1864 170 170 GLU HG2 H 2.313 . . 1865 170 170 GLU HG3 H 2.168 . . 1866 170 170 GLU C C 177.470 . . 1867 170 170 GLU CA C 57.950 . . 1868 170 170 GLU CB C 29.775 . . 1869 170 170 GLU CG C 36.100 . . 1870 170 170 GLU N N 117.300 . . 1871 171 171 HIS H H 7.788 . . 1872 171 171 HIS HA H 4.500 . . 1873 171 171 HIS HB2 H 3.015 . . 1874 171 171 HIS HB3 H 2.893 . . 1875 171 171 HIS HD2 H 6.670 . . 1876 171 171 HIS HE1 H 8.055 . . 1877 171 171 HIS C C 175.120 . . 1878 171 171 HIS CA C 57.200 . . 1879 171 171 HIS CB C 30.600 . . 1880 171 171 HIS CD2 C 118.880 . . 1881 171 171 HIS CE1 C 138.000 . . 1882 171 171 HIS N N 117.944 . . 1883 172 172 TYR H H 7.820 . . 1884 172 172 TYR HA H 4.593 . . 1885 172 172 TYR HB2 H 3.223 . . 1886 172 172 TYR HB3 H 2.808 . . 1887 172 172 TYR HD1 H 7.160 . . 1888 172 172 TYR HE1 H 6.780 . . 1889 172 172 TYR C C 174.612 . . 1890 172 172 TYR CA C 57.980 . . 1891 172 172 TYR CB C 38.980 . . 1892 172 172 TYR CD1 C 133.120 . . 1893 172 172 TYR CE1 C 118.180 . . 1894 172 172 TYR N N 120.040 . . 1895 173 173 ALA H H 7.553 . . 1896 173 173 ALA HA H 4.096 . . 1897 173 173 ALA CA C 54.230 . . 1898 173 173 ALA N N 130.670 . . stop_ save_