data_17625 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Microvirin:mannobiose complex ; _BMRB_accession_number 17625 _BMRB_flat_file_name bmr17625.str _Entry_type original _Submission_date 2011-05-04 _Accession_date 2011-05-04 _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 Hussan S. . . 2 Bewley Carole A. . 3 Clore G. M. . 4 Gustchina E. . . 5 Ghirlando R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 274 "13C chemical shifts" 397 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-24 update BMRB 'update entry citation' 2011-06-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the Monovalent Lectin Microvirin in Complex with Man{alpha}(1-2)Man Provides a Basis for Anti-HIV Activity with Low Toxicity.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21471192 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shahzad-Ul-Hussan Syed . . 2 Gustchina Elena . . 3 Ghirlando Rodolfo . . 4 Clore 'G. Marius' . . 5 Bewley Carole A. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 23 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 20788 _Page_last 20796 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Microvirin:mannobiose complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label microvirin $MANNAN-BINDING_LECTIN mannobiose $MAB stop_ _System_molecular_weight 12518.3318 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MANNAN-BINDING_LECTIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common microvirin _Molecular_mass 12157.0095 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; MPNFSHTCSSINYDPDSTIL SAECQARDGEWLPTELRLSD HIGNIDGELQFGDQNFQETC QDCRLEFGDGEQSVWLVCTC QTMDGEWKSTQILLDSQIDN NDSQLEIG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 ASN 4 PHE 5 SER 6 HIS 7 THR 8 CYS 9 SER 10 SER 11 ILE 12 ASN 13 TYR 14 ASP 15 PRO 16 ASP 17 SER 18 THR 19 ILE 20 LEU 21 SER 22 ALA 23 GLU 24 CYS 25 GLN 26 ALA 27 ARG 28 ASP 29 GLY 30 GLU 31 TRP 32 LEU 33 PRO 34 THR 35 GLU 36 LEU 37 ARG 38 LEU 39 SER 40 ASP 41 HIS 42 ILE 43 GLY 44 ASN 45 ILE 46 ASP 47 GLY 48 GLU 49 LEU 50 GLN 51 PHE 52 GLY 53 ASP 54 GLN 55 ASN 56 PHE 57 GLN 58 GLU 59 THR 60 CYS 61 GLN 62 ASP 63 CYS 64 ARG 65 LEU 66 GLU 67 PHE 68 GLY 69 ASP 70 GLY 71 GLU 72 GLN 73 SER 74 VAL 75 TRP 76 LEU 77 VAL 78 CYS 79 THR 80 CYS 81 GLN 82 THR 83 MET 84 ASP 85 GLY 86 GLU 87 TRP 88 LYS 89 SER 90 THR 91 GLN 92 ILE 93 LEU 94 LEU 95 ASP 96 SER 97 GLN 98 ILE 99 ASP 100 ASN 101 ASN 102 ASP 103 SER 104 GLN 105 LEU 106 GLU 107 ILE 108 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 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 2Y1S "Microvirin Lectin" 100.00 108 100.00 100.00 8.77e-72 PDB 2YHH "Microvirin:mannobiose Complex" 100.00 108 100.00 100.00 8.77e-72 EMBL CAJ13948 "mannan-binding lectin [Microcystis aeruginosa PCC 7806]" 100.00 108 99.07 99.07 6.68e-71 EMBL CAO86269 "mvn [Microcystis aeruginosa PCC 7806]" 100.00 108 99.07 99.07 6.68e-71 REF WP_036399836 "mannan-binding protein [Microcystis aeruginosa]" 100.00 108 99.07 99.07 6.68e-71 REF WP_052278278 "mannan-binding protein [Microcystis panniformis]" 100.00 108 97.22 98.15 1.55e-69 stop_ save_ ############# # Ligands # ############# save_MAB _Saveframe_category ligand _Mol_type "non-polymer (saccharide)" _Name_common "MAB (MANNOBIOSE)" _BMRB_code . _PDB_code MAB _Molecular_mass 342.296 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu May 5 10:15:07 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1A C1A C . 0 . ? C2A C2A C . 0 . ? C3A C3A C . 0 . ? C4A C4A C . 0 . ? C5A C5A C . 0 . ? C6A C6A C . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? O4A O4A O . 0 . ? O5A O5A O . 0 . ? O6A O6A O . 0 . ? C1B C1B C . 0 . ? C2B C2B C . 0 . ? C3B C3B C . 0 . ? C4B C4B C . 0 . ? C5B C5B C . 0 . ? C6B C6B C . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? O4B O4B O . 0 . ? O5B O5B O . 0 . ? O6B O6B O . 0 . ? O1A O1A O . 0 . ? H1A H1A H . 0 . ? H2A H2A H . 0 . ? H3A H3A H . 0 . ? H4A H4A H . 0 . ? H5A H5A H . 0 . ? H6A2 H6A2 H . 0 . ? H6A1 H6A1 H . 0 . ? H2O1 H2O1 H . 0 . ? H3O1 H3O1 H . 0 . ? H6A H6A H . 0 . ? H1B H1B H . 0 . ? H2B H2B H . 0 . ? H3B H3B H . 0 . ? H4B H4B H . 0 . ? H5B H5B H . 0 . ? H6B2 H6B2 H . 0 . ? H6B1 H6B1 H . 0 . ? H2O2 H2O2 H . 0 . ? H3O2 H3O2 H . 0 . ? H4O1 H4O1 H . 0 . ? H6B H6B H . 0 . ? H1O1 H1O1 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 C1A C2A ? ? SING C1A O5A ? ? SING C1A O1A ? ? SING C1A H1A ? ? SING C2A C3A ? ? SING C2A O2A ? ? SING C2A H2A ? ? SING C3A C4A ? ? SING C3A O3A ? ? SING C3A H3A ? ? SING C4A C5A ? ? SING C4A O4A ? ? SING C4A H4A ? ? SING C5A C6A ? ? SING C5A O5A ? ? SING C5A H5A ? ? SING C6A O6A ? ? SING C6A H6A2 ? ? SING C6A H6A1 ? ? SING O2A H2O1 ? ? SING O3A H3O1 ? ? SING O4A C1B ? ? SING O6A H6A ? ? SING C1B C2B ? ? SING C1B O5B ? ? SING C1B H1B ? ? SING C2B C3B ? ? SING C2B O2B ? ? SING C2B H2B ? ? SING C3B C4B ? ? SING C3B O3B ? ? SING C3B H3B ? ? SING C4B C5B ? ? SING C4B O4B ? ? SING C4B H4B ? ? SING C5B C6B ? ? SING C5B O5B ? ? SING C5B H5B ? ? SING C6B O6B ? ? SING C6B H6B2 ? ? SING C6B H6B1 ? ? SING O2B H2O2 ? ? SING O3B H3O2 ? ? SING O4B H4O1 ? ? SING O6B H6B ? ? SING O1A H1O1 ? ? 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 $MANNAN-BINDING_LECTIN cyanobacteria 1126 Bacteria . Microcystis aeruginosa stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Cell_line _Vector_type _Vector_name $MANNAN-BINDING_LECTIN 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) Bl21(DE3) pET n/a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'microvirin 1.5 mM, mannobiose 1.5 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MANNAN-BINDING_LECTIN 1.5 mM '[U-13C; U-15N]' $MAB 1.5 mM '[U-13C; U-15N]' H2O 10 % 'natural abundance' D2O 90 % 'natural abundance' NaPO4 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task collection stop_ _Details . save_ save_Xplor _Saveframe_category software _Name X-PLOR _Version any loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_Xplor-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version any loop_ _Vendor _Address _Electronic_address BRUNGER . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_HNCG_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCG _Sample_label $sample_1 save_ save_HOHAHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HOHAHA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [6.8], temp [300], pressure [1], ionStrength [20.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20.000 . mM pH 6.800 . pH pressure 1.000 . atm temperature 300.000 . 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 HDO H 1 HDO ppm 4.7 internal direct . . . 1 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 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/2yhh/ebi/2y1s_cs.str.csh' loop_ _Experiment_label HSQC HNCACB HNCO NOESY HNHA HNCG HOHAHA 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 microvirin _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 4.515 . 1 2 1 1 MET CA C 53.170 . 1 3 1 1 MET CB C 33.150 . 1 4 1 1 MET N N 120.800 . 1 5 2 2 PRO HA H 4.260 . 1 6 2 2 PRO C C 175.400 . 1 7 2 2 PRO CA C 62.950 . 1 8 2 2 PRO CB C 32.020 . 1 9 2 2 PRO CG C 27.170 . 1 10 2 2 PRO CD C 50.450 . 1 11 3 3 ASN H H 8.329 . 1 12 3 3 ASN HA H 4.439 . 1 13 3 3 ASN C C 174.200 . 1 14 3 3 ASN CA C 53.400 . 1 15 3 3 ASN CB C 38.480 . 1 16 3 3 ASN N N 115.900 . 1 17 3 3 ASN ND2 N 112.800 . 1 18 4 4 PHE H H 8.232 . 1 19 4 4 PHE HA H 4.385 . 1 20 4 4 PHE C C 174.100 . 1 21 4 4 PHE CA C 59.160 . 1 22 4 4 PHE CB C 40.580 . 1 23 4 4 PHE N N 121.400 . 1 24 5 5 SER H H 7.130 . 1 25 5 5 SER HA H 4.290 . 1 26 5 5 SER C C 173.500 . 1 27 5 5 SER CA C 59.380 . 1 28 5 5 SER CB C 64.760 . 1 29 5 5 SER N N 118.900 . 1 30 6 6 HIS HA H 4.220 . 1 31 6 6 HIS C C 174.400 . 1 32 6 6 HIS CA C 57.900 . 1 33 6 6 HIS CB C 29.300 . 1 34 7 7 THR H H 7.515 . 1 35 7 7 THR HA H 4.266 . 1 36 7 7 THR HB H 4.300 . 1 37 7 7 THR HG2 H 0.790 . 1 38 7 7 THR C C 175.900 . 1 39 7 7 THR CA C 62.180 . 1 40 7 7 THR CB C 69.120 . 1 41 7 7 THR CG2 C 21.540 . 1 42 7 7 THR N N 110.200 . 1 43 8 8 CYS H H 7.637 . 1 44 8 8 CYS HA H 5.270 . 1 45 8 8 CYS C C 172.100 . 1 46 8 8 CYS CA C 59.000 . 1 47 8 8 CYS CB C 46.920 . 1 48 8 8 CYS N N 120.500 . 1 49 9 9 SER H H 9.641 . 1 50 9 9 SER HA H 4.763 . 1 51 9 9 SER C C 173.500 . 1 52 9 9 SER CA C 56.940 . 1 53 9 9 SER CB C 65.900 . 1 54 9 9 SER N N 115.800 . 1 55 10 10 SER H H 8.707 . 1 56 10 10 SER HA H 3.937 . 1 57 10 10 SER C C 173.800 . 1 58 10 10 SER CA C 58.150 . 1 59 10 10 SER CB C 61.790 . 1 60 10 10 SER N N 115.100 . 1 61 11 11 ILE H H 8.289 . 1 62 11 11 ILE HA H 4.537 . 1 63 11 11 ILE HB H 1.850 . 1 64 11 11 ILE HG2 H 0.976 . 1 65 11 11 ILE HD1 H 0.998 . 1 66 11 11 ILE C C 176.400 . 1 67 11 11 ILE CA C 62.760 . 1 68 11 11 ILE CB C 38.450 . 1 69 11 11 ILE CG1 C 28.680 . 1 70 11 11 ILE CG2 C 18.340 . 1 71 11 11 ILE CD1 C 14.290 . 1 72 11 11 ILE N N 119.600 . 1 73 12 12 ASN H H 9.529 . 1 74 12 12 ASN HA H 5.031 . 1 75 12 12 ASN C C 172.100 . 1 76 12 12 ASN CA C 53.100 . 1 77 12 12 ASN CB C 43.890 . 1 78 12 12 ASN N N 126.900 . 1 79 12 12 ASN ND2 N 114.400 . 1 80 13 13 TYR H H 8.825 . 1 81 13 13 TYR HA H 5.265 . 1 82 13 13 TYR C C 172.400 . 1 83 13 13 TYR CA C 56.420 . 1 84 13 13 TYR CB C 42.190 . 1 85 13 13 TYR N N 122.900 . 1 86 14 14 ASP H H 7.504 . 1 87 14 14 ASP HA H 4.969 . 1 88 14 14 ASP C C 173.700 . 1 89 14 14 ASP CA C 56.380 . 1 90 14 14 ASP CB C 42.200 . 1 91 14 14 ASP N N 128.800 . 1 92 15 15 PRO HA H 3.946 . 1 93 15 15 PRO C C 178.300 . 1 94 15 15 PRO CA C 63.700 . 1 95 15 15 PRO CB C 32.460 . 1 96 15 15 PRO CG C 27.010 . 1 97 15 15 PRO CD C 51.000 . 1 98 16 16 ASP H H 8.000 . 1 99 16 16 ASP HA H 4.421 . 1 100 16 16 ASP C C 176.500 . 1 101 16 16 ASP CA C 56.670 . 1 102 16 16 ASP CB C 40.910 . 1 103 16 16 ASP N N 117.200 . 1 104 17 17 SER H H 7.366 . 1 105 17 17 SER HA H 4.417 . 1 106 17 17 SER C C 177.000 . 1 107 17 17 SER CA C 58.260 . 1 108 17 17 SER CB C 64.930 . 1 109 17 17 SER N N 112.100 . 1 110 18 18 THR H H 8.278 . 1 111 18 18 THR HA H 4.168 . 1 112 18 18 THR HB H 4.841 . 1 113 18 18 THR HG2 H 0.902 . 1 114 18 18 THR C C 173.100 . 1 115 18 18 THR CA C 64.210 . 1 116 18 18 THR CB C 68.840 . 1 117 18 18 THR CG2 C 21.930 . 1 118 18 18 THR N N 117.200 . 1 119 19 19 ILE H H 7.940 . 1 120 19 19 ILE HA H 4.476 . 1 121 19 19 ILE HB H 1.684 . 1 122 19 19 ILE HG2 H 0.766 . 1 123 19 19 ILE HD1 H 0.783 . 1 124 19 19 ILE C C 175.700 . 1 125 19 19 ILE CA C 62.870 . 1 126 19 19 ILE CB C 37.890 . 1 127 19 19 ILE CG1 C 28.570 . 1 128 19 19 ILE CG2 C 17.530 . 1 129 19 19 ILE CD1 C 11.920 . 1 130 19 19 ILE N N 121.700 . 1 131 20 20 LEU H H 9.530 . 1 132 20 20 LEU HA H 5.362 . 1 133 20 20 LEU HG H 1.219 . 1 134 20 20 LEU C C 174.200 . 1 135 20 20 LEU CA C 53.340 . 1 136 20 20 LEU CB C 45.220 . 1 137 20 20 LEU CG C 27.480 . 1 138 20 20 LEU N N 136.300 . 1 139 21 21 SER H H 9.510 . 1 140 21 21 SER HA H 5.611 . 1 141 21 21 SER C C 172.400 . 1 142 21 21 SER CA C 56.150 . 1 143 21 21 SER CB C 67.020 . 1 144 21 21 SER N N 121.400 . 1 145 22 22 ALA H H 8.603 . 1 146 22 22 ALA HA H 4.791 . 1 147 22 22 ALA HB H 1.557 . 1 148 22 22 ALA C C 175.800 . 1 149 22 22 ALA CA C 51.510 . 1 150 22 22 ALA CB C 24.340 . 1 151 22 22 ALA N N 120.000 . 1 152 23 23 GLU H H 8.819 . 1 153 23 23 GLU HA H 5.047 . 1 154 23 23 GLU C C 175.800 . 1 155 23 23 GLU CA C 56.070 . 1 156 23 23 GLU CB C 31.470 . 1 157 23 23 GLU CG C 36.350 . 1 158 23 23 GLU N N 119.900 . 1 159 24 24 CYS H H 8.905 . 1 160 24 24 CYS HA H 5.301 . 1 161 24 24 CYS C C 173.300 . 1 162 24 24 CYS CA C 54.200 . 1 163 24 24 CYS CB C 47.220 . 1 164 24 24 CYS N N 121.400 . 1 165 25 25 GLN H H 8.539 . 1 166 25 25 GLN HA H 3.785 . 1 167 25 25 GLN C C 175.600 . 1 168 25 25 GLN CA C 56.080 . 1 169 25 25 GLN CB C 28.490 . 1 170 25 25 GLN CG C 33.390 . 1 171 25 25 GLN N N 126.000 . 1 172 25 25 GLN NE2 N 111.200 . 1 173 26 26 ALA H H 8.853 . 1 174 26 26 ALA HA H 4.307 . 1 175 26 26 ALA HB H 1.445 . 1 176 26 26 ALA C C 178.900 . 1 177 26 26 ALA CA C 51.290 . 1 178 26 26 ALA CB C 20.530 . 1 179 26 26 ALA N N 130.400 . 1 180 27 27 ARG H H 8.513 . 1 181 27 27 ARG HA H 3.925 . 1 182 27 27 ARG C C 177.800 . 1 183 27 27 ARG CA C 58.410 . 1 184 27 27 ARG CB C 29.880 . 1 185 27 27 ARG CG C 26.850 . 1 186 27 27 ARG CD C 43.150 . 1 187 27 27 ARG N N 120.400 . 1 188 28 28 ASP H H 7.990 . 1 189 28 28 ASP HA H 4.417 . 1 190 28 28 ASP C C 176.900 . 1 191 28 28 ASP CA C 54.030 . 1 192 28 28 ASP CB C 40.150 . 1 193 28 28 ASP N N 115.900 . 1 194 29 29 GLY H H 7.962 . 1 195 29 29 GLY C C 174.200 . 1 196 29 29 GLY CA C 44.970 . 1 197 29 29 GLY N N 108.200 . 1 198 30 30 GLU H H 7.963 . 1 199 30 30 GLU HA H 4.239 . 1 200 30 30 GLU C C 175.100 . 1 201 30 30 GLU CA C 56.280 . 1 202 30 30 GLU CB C 30.350 . 1 203 30 30 GLU CG C 36.100 . 1 204 30 30 GLU N N 122.200 . 1 205 31 31 TRP H H 8.775 . 1 206 31 31 TRP HA H 4.503 . 1 207 31 31 TRP HD1 H 7.300 . 1 208 31 31 TRP HE1 H 10.120 . 1 209 31 31 TRP HE3 H 7.103 . 1 210 31 31 TRP HZ2 H 7.453 . 1 211 31 31 TRP HZ3 H 7.220 . 1 212 31 31 TRP HH2 H 7.194 . 1 213 31 31 TRP C C 176.100 . 1 214 31 31 TRP CA C 57.190 . 1 215 31 31 TRP CB C 29.430 . 1 216 31 31 TRP CD1 C 127.908 . 1 217 31 31 TRP CE3 C 119.488 . 1 218 31 31 TRP CZ3 C 122.560 . 1 219 31 31 TRP N N 124.200 . 1 220 31 31 TRP NE1 N 129.700 . 1 221 32 32 LEU H H 8.957 . 1 222 32 32 LEU HA H 5.071 . 1 223 32 32 LEU HG H 0.890 . 1 224 32 32 LEU C C 175.000 . 1 225 32 32 LEU CA C 51.840 . 1 226 32 32 LEU CB C 44.410 . 1 227 32 32 LEU N N 125.500 . 1 228 33 33 PRO HA H 4.909 . 1 229 33 33 PRO C C 176.600 . 1 230 33 33 PRO CA C 63.350 . 1 231 33 33 PRO CB C 31.920 . 1 232 33 33 PRO CG C 27.310 . 1 233 33 33 PRO CD C 51.180 . 1 234 34 34 THR H H 9.146 . 1 235 34 34 THR HA H 4.594 . 1 236 34 34 THR HB H 3.888 . 1 237 34 34 THR HG2 H 1.121 . 1 238 34 34 THR C C 172.500 . 1 239 34 34 THR CA C 62.100 . 1 240 34 34 THR CB C 71.990 . 1 241 34 34 THR CG2 C 20.300 . 1 242 34 34 THR N N 120.800 . 1 243 35 35 GLU H H 8.375 . 1 244 35 35 GLU HA H 5.285 . 1 245 35 35 GLU C C 174.800 . 1 246 35 35 GLU CA C 55.480 . 1 247 35 35 GLU CB C 33.560 . 1 248 35 35 GLU CG C 36.540 . 1 249 35 35 GLU N N 124.800 . 1 250 36 36 LEU H H 9.194 . 1 251 36 36 LEU HA H 4.676 . 1 252 36 36 LEU HG H 1.490 . 1 253 36 36 LEU C C 174.000 . 1 254 36 36 LEU CA C 54.180 . 1 255 36 36 LEU CB C 46.250 . 1 256 36 36 LEU CG C 27.440 . 1 257 36 36 LEU N N 124.700 . 1 258 37 37 ARG H H 9.143 . 1 259 37 37 ARG HA H 4.388 . 1 260 37 37 ARG HE H 7.234 . 1 261 37 37 ARG C C 176.400 . 1 262 37 37 ARG CA C 56.070 . 1 263 37 37 ARG CB C 29.910 . 1 264 37 37 ARG CG C 27.910 . 1 265 37 37 ARG CD C 43.530 . 1 266 37 37 ARG N N 126.600 . 1 267 37 37 ARG NE N 84.200 . 1 268 38 38 LEU H H 9.215 . 1 269 38 38 LEU HA H 4.254 . 1 270 38 38 LEU HG H 2.333 . 1 271 38 38 LEU C C 179.600 . 1 272 38 38 LEU CA C 59.230 . 1 273 38 38 LEU CB C 40.390 . 1 274 38 38 LEU CG C 26.530 . 1 275 38 38 LEU N N 127.600 . 1 276 39 39 SER H H 9.489 . 1 277 39 39 SER HA H 4.420 . 1 278 39 39 SER C C 175.700 . 1 279 39 39 SER CA C 61.580 . 1 280 39 39 SER CB C 63.250 . 1 281 39 39 SER N N 115.800 . 1 282 40 40 ASP H H 7.656 . 1 283 40 40 ASP HA H 4.605 . 1 284 40 40 ASP C C 176.200 . 1 285 40 40 ASP CA C 55.690 . 1 286 40 40 ASP CB C 40.890 . 1 287 40 40 ASP N N 118.800 . 1 288 41 41 HIS H H 7.965 . 1 289 41 41 HIS HA H 4.974 . 1 290 41 41 HIS HD1 H 7.324 . 1 291 41 41 HIS HD2 H 7.188 . 1 292 41 41 HIS HE1 H 7.758 . 1 293 41 41 HIS HE2 H 7.054 . 1 294 41 41 HIS C C 173.900 . 1 295 41 41 HIS CA C 57.550 . 1 296 41 41 HIS CB C 35.300 . 1 297 41 41 HIS CD2 C 121.750 . 1 298 41 41 HIS N N 115.900 . 1 299 42 42 ILE H H 7.731 . 1 300 42 42 ILE HA H 4.686 . 1 301 42 42 ILE HB H 1.349 . 1 302 42 42 ILE HG2 H 0.196 . 1 303 42 42 ILE HD1 H 0.318 . 1 304 42 42 ILE C C 174.500 . 1 305 42 42 ILE CA C 59.860 . 1 306 42 42 ILE CB C 40.500 . 1 307 42 42 ILE CG1 C 28.030 . 1 308 42 42 ILE CG2 C 18.650 . 1 309 42 42 ILE CD1 C 14.940 . 1 310 42 42 ILE N N 119.600 . 1 311 43 43 GLY H H 8.682 . 1 312 43 43 GLY C C 170.900 . 1 313 43 43 GLY CA C 43.850 . 1 314 43 43 GLY N N 110.800 . 1 315 44 44 ASN H H 8.661 . 1 316 44 44 ASN HA H 4.757 . 1 317 44 44 ASN C C 175.800 . 1 318 44 44 ASN CA C 51.340 . 1 319 44 44 ASN CB C 39.510 . 1 320 44 44 ASN CG C 176.800 . 1 321 44 44 ASN N N 116.300 . 1 322 44 44 ASN ND2 N 110.600 . 1 323 45 45 ILE H H 9.046 . 1 324 45 45 ILE HA H 4.212 . 1 325 45 45 ILE HB H 1.859 . 1 326 45 45 ILE HG2 H 0.767 . 1 327 45 45 ILE HD1 H 0.648 . 1 328 45 45 ILE C C 175.800 . 1 329 45 45 ILE CA C 59.090 . 1 330 45 45 ILE CB C 36.590 . 1 331 45 45 ILE CG1 C 27.160 . 1 332 45 45 ILE CG2 C 17.300 . 1 333 45 45 ILE CD1 C 11.580 . 1 334 45 45 ILE N N 127.800 . 1 335 46 46 ASP H H 9.057 . 1 336 46 46 ASP HA H 4.154 . 1 337 46 46 ASP C C 173.800 . 1 338 46 46 ASP CA C 54.960 . 1 339 46 46 ASP CB C 40.330 . 1 340 46 46 ASP N N 127.900 . 1 341 47 47 GLY H H 8.245 . 1 342 47 47 GLY C C 171.100 . 1 343 47 47 GLY CA C 45.640 . 1 344 47 47 GLY N N 107.600 . 1 345 48 48 GLU H H 7.147 . 1 346 48 48 GLU HA H 4.753 . 1 347 48 48 GLU C C 176.100 . 1 348 48 48 GLU CA C 52.930 . 1 349 48 48 GLU CB C 32.280 . 1 350 48 48 GLU CG C 35.820 . 1 351 48 48 GLU N N 115.900 . 1 352 49 49 LEU H H 7.660 . 1 353 49 49 LEU HA H 4.703 . 1 354 49 49 LEU HG H 1.594 . 1 355 49 49 LEU C C 177.400 . 1 356 49 49 LEU CA C 54.330 . 1 357 49 49 LEU CB C 42.810 . 1 358 49 49 LEU CG C 26.350 . 1 359 49 49 LEU N N 124.500 . 1 360 50 50 GLN H H 8.598 . 1 361 50 50 GLN HA H 4.512 . 1 362 50 50 GLN C C 175.600 . 1 363 50 50 GLN CA C 54.640 . 1 364 50 50 GLN CB C 33.430 . 1 365 50 50 GLN CG C 32.740 . 1 366 50 50 GLN N N 119.400 . 1 367 50 50 GLN NE2 N 110.600 . 1 368 51 51 PHE H H 8.537 . 1 369 51 51 PHE HA H 5.202 . 1 370 51 51 PHE C C 177.100 . 1 371 51 51 PHE CA C 58.650 . 1 372 51 51 PHE CB C 39.840 . 1 373 51 51 PHE N N 121.100 . 1 374 52 52 GLY H H 8.738 . 1 375 52 52 GLY C C 173.600 . 1 376 52 52 GLY CA C 45.750 . 1 377 52 52 GLY N N 108.100 . 1 378 53 53 ASP H H 7.167 . 1 379 53 53 ASP HA H 4.637 . 1 380 53 53 ASP C C 172.600 . 1 381 53 53 ASP CA C 52.760 . 1 382 53 53 ASP CB C 44.150 . 1 383 53 53 ASP N N 121.100 . 1 384 54 54 GLN H H 9.233 . 1 385 54 54 GLN HA H 4.818 . 1 386 54 54 GLN C C 177.300 . 1 387 54 54 GLN CA C 56.050 . 1 388 54 54 GLN CB C 33.400 . 1 389 54 54 GLN CG C 33.830 . 1 390 54 54 GLN N N 115.600 . 1 391 55 55 ASN H H 9.958 . 1 392 55 55 ASN HA H 5.159 . 1 393 55 55 ASN C C 178.000 . 1 394 55 55 ASN CA C 54.720 . 1 395 55 55 ASN CB C 36.080 . 1 396 55 55 ASN CG C 178.400 . 1 397 55 55 ASN N N 111.500 . 1 398 55 55 ASN ND2 N 114.900 . 1 399 56 56 PHE H H 8.389 . 1 400 56 56 PHE HA H 4.064 . 1 401 56 56 PHE HZ H 7.192 . 1 402 56 56 PHE C C 173.900 . 1 403 56 56 PHE CA C 60.640 . 1 404 56 56 PHE CB C 37.160 . 1 405 56 56 PHE N N 116.700 . 1 406 57 57 GLN H H 7.660 . 1 407 57 57 GLN HA H 3.520 . 1 408 57 57 GLN C C 176.100 . 1 409 57 57 GLN CA C 57.490 . 1 410 57 57 GLN CB C 24.720 . 1 411 57 57 GLN CG C 32.270 . 1 412 57 57 GLN N N 121.100 . 1 413 57 57 GLN NE2 N 107.300 . 1 414 58 58 GLU H H 7.393 . 1 415 58 58 GLU HA H 4.163 . 1 416 58 58 GLU C C 178.700 . 1 417 58 58 GLU CA C 58.320 . 1 418 58 58 GLU CB C 30.350 . 1 419 58 58 GLU CG C 36.830 . 1 420 58 58 GLU N N 118.500 . 1 421 59 59 THR H H 7.545 . 1 422 59 59 THR HA H 4.674 . 1 423 59 59 THR HB H 4.465 . 1 424 59 59 THR HG2 H 1.123 . 1 425 59 59 THR C C 171.500 . 1 426 59 59 THR CA C 60.480 . 1 427 59 59 THR CB C 69.060 . 1 428 59 59 THR CG2 C 21.740 . 1 429 59 59 THR N N 105.500 . 1 430 60 60 CYS H H 7.133 . 1 431 60 60 CYS HA H 5.893 . 1 432 60 60 CYS C C 172.600 . 1 433 60 60 CYS CA C 56.940 . 1 434 60 60 CYS CB C 50.270 . 1 435 60 60 CYS N N 116.600 . 1 436 61 61 GLN H H 9.955 . 1 437 61 61 GLN HA H 4.923 . 1 438 61 61 GLN C C 173.400 . 1 439 61 61 GLN CA C 53.710 . 1 440 61 61 GLN CB C 32.710 . 1 441 61 61 GLN CG C 32.560 . 1 442 61 61 GLN N N 119.900 . 1 443 62 62 ASP H H 8.940 . 1 444 62 62 ASP HA H 4.294 . 1 445 62 62 ASP C C 175.800 . 1 446 62 62 ASP CA C 55.320 . 1 447 62 62 ASP CB C 39.490 . 1 448 62 62 ASP N N 117.200 . 1 449 63 63 CYS H H 8.619 . 1 450 63 63 CYS HA H 5.956 . 1 451 63 63 CYS C C 175.600 . 1 452 63 63 CYS CA C 56.680 . 1 453 63 63 CYS CB C 44.280 . 1 454 63 63 CYS N N 116.000 . 1 455 64 64 ARG H H 9.316 . 1 456 64 64 ARG HA H 4.671 . 1 457 64 64 ARG HE H 7.478 . 1 458 64 64 ARG C C 173.000 . 1 459 64 64 ARG CA C 54.800 . 1 460 64 64 ARG CB C 32.440 . 1 461 64 64 ARG CG C 25.840 . 1 462 64 64 ARG CD C 43.560 . 1 463 64 64 ARG N N 120.100 . 1 464 64 64 ARG NE N 86.530 . 1 465 65 65 LEU H H 8.465 . 1 466 65 65 LEU HA H 5.293 . 1 467 65 65 LEU HG H 1.487 . 1 468 65 65 LEU C C 177.800 . 1 469 65 65 LEU CA C 53.320 . 1 470 65 65 LEU CB C 43.000 . 1 471 65 65 LEU CG C 26.490 . 1 472 65 65 LEU N N 117.900 . 1 473 66 66 GLU H H 8.977 . 1 474 66 66 GLU HA H 4.579 . 1 475 66 66 GLU C C 174.300 . 1 476 66 66 GLU CA C 55.290 . 1 477 66 66 GLU CB C 33.750 . 1 478 66 66 GLU CG C 36.350 . 1 479 66 66 GLU N N 121.600 . 1 480 67 67 PHE H H 8.886 . 1 481 67 67 PHE HA H 5.445 . 1 482 67 67 PHE C C 177.200 . 1 483 67 67 PHE CA C 56.940 . 1 484 67 67 PHE CB C 41.500 . 1 485 67 67 PHE N N 121.700 . 1 486 68 68 GLY H H 8.804 . 1 487 68 68 GLY C C 173.600 . 1 488 68 68 GLY CA C 44.600 . 1 489 68 68 GLY N N 109.800 . 1 490 69 69 ASP H H 8.656 . 1 491 69 69 ASP HA H 4.527 . 1 492 69 69 ASP C C 177.800 . 1 493 69 69 ASP CA C 55.300 . 1 494 69 69 ASP CB C 41.040 . 1 495 69 69 ASP N N 120.500 . 1 496 70 70 GLY H H 8.856 . 1 497 70 70 GLY C C 174.200 . 1 498 70 70 GLY CA C 46.390 . 1 499 70 70 GLY N N 112.500 . 1 500 71 71 GLU H H 8.306 . 1 501 71 71 GLU HA H 4.054 . 1 502 71 71 GLU C C 175.700 . 1 503 71 71 GLU CA C 57.600 . 1 504 71 71 GLU CB C 28.470 . 1 505 71 71 GLU CG C 36.470 . 1 506 71 71 GLU N N 116.700 . 1 507 72 72 GLN H H 7.721 . 1 508 72 72 GLN HA H 4.091 . 1 509 72 72 GLN C C 174.300 . 1 510 72 72 GLN CA C 56.080 . 1 511 72 72 GLN CB C 28.770 . 1 512 72 72 GLN CG C 34.230 . 1 513 72 72 GLN N N 116.400 . 1 514 72 72 GLN NE2 N 112.200 . 1 515 73 73 SER H H 7.775 . 1 516 73 73 SER HA H 4.634 . 1 517 73 73 SER C C 173.000 . 1 518 73 73 SER CA C 57.720 . 1 519 73 73 SER CB C 64.980 . 1 520 73 73 SER N N 111.700 . 1 521 74 74 VAL H H 8.632 . 1 522 74 74 VAL HA H 4.403 . 1 523 74 74 VAL HB H 1.899 . 1 524 74 74 VAL C C 172.500 . 1 525 74 74 VAL CA C 61.870 . 1 526 74 74 VAL CB C 34.020 . 1 527 74 74 VAL N N 122.400 . 1 528 75 75 TRP H H 8.980 . 1 529 75 75 TRP HA H 5.051 . 1 530 75 75 TRP HD1 H 6.769 . 1 531 75 75 TRP HE1 H 10.110 . 1 532 75 75 TRP HE3 H 7.071 . 1 533 75 75 TRP HZ3 H 7.240 . 1 534 75 75 TRP HH2 H 7.342 . 1 535 75 75 TRP C C 174.500 . 1 536 75 75 TRP CA C 55.720 . 1 537 75 75 TRP CB C 31.360 . 1 538 75 75 TRP CD1 C 126.774 . 1 539 75 75 TRP CE3 C 119.824 . 1 540 75 75 TRP N N 126.600 . 1 541 75 75 TRP NE1 N 129.400 . 1 542 76 76 LEU H H 8.603 . 1 543 76 76 LEU HA H 4.603 . 1 544 76 76 LEU HG H 1.080 . 1 545 76 76 LEU C C 174.500 . 1 546 76 76 LEU CA C 53.890 . 1 547 76 76 LEU CB C 44.240 . 1 548 76 76 LEU CG C 26.440 . 1 549 76 76 LEU N N 122.900 . 1 550 77 77 VAL H H 8.956 . 1 551 77 77 VAL HA H 4.805 . 1 552 77 77 VAL HB H 1.760 . 1 553 77 77 VAL C C 175.600 . 1 554 77 77 VAL CA C 60.910 . 1 555 77 77 VAL CB C 34.300 . 1 556 77 77 VAL N N 127.200 . 1 557 78 78 CYS H H 8.663 . 1 558 78 78 CYS HA H 5.024 . 1 559 78 78 CYS C C 172.600 . 1 560 78 78 CYS CA C 54.800 . 1 561 78 78 CYS CB C 53.580 . 1 562 78 78 CYS N N 119.200 . 1 563 79 79 THR H H 8.855 . 1 564 79 79 THR HA H 5.080 . 1 565 79 79 THR HB H 3.977 . 1 566 79 79 THR HG2 H 1.242 . 1 567 79 79 THR C C 173.800 . 1 568 79 79 THR CA C 62.070 . 1 569 79 79 THR CB C 69.530 . 1 570 79 79 THR CG2 C 23.080 . 1 571 79 79 THR N N 118.100 . 1 572 80 80 CYS H H 9.582 . 1 573 80 80 CYS HA H 5.597 . 1 574 80 80 CYS C C 172.900 . 1 575 80 80 CYS CA C 56.460 . 1 576 80 80 CYS CB C 45.370 . 1 577 80 80 CYS N N 124.600 . 1 578 81 81 GLN H H 8.044 . 1 579 81 81 GLN HA H 4.185 . 1 580 81 81 GLN C C 177.600 . 1 581 81 81 GLN CA C 55.050 . 1 582 81 81 GLN CB C 29.840 . 1 583 81 81 GLN CG C 33.530 . 1 584 81 81 GLN N N 122.700 . 1 585 81 81 GLN NE2 N 110.500 . 1 586 82 82 THR H H 9.042 . 1 587 82 82 THR HA H 4.050 . 1 588 82 82 THR HB H 4.591 . 1 589 82 82 THR HG2 H 1.058 . 1 590 82 82 THR C C 176.700 . 1 591 82 82 THR CA C 60.630 . 1 592 82 82 THR CB C 70.600 . 1 593 82 82 THR CG2 C 22.040 . 1 594 82 82 THR N N 117.600 . 1 595 83 83 MET H H 9.458 . 1 596 83 83 MET HA H 4.103 . 1 597 83 83 MET HE H 2.590 . 1 598 83 83 MET C C 177.500 . 1 599 83 83 MET CA C 58.750 . 1 600 83 83 MET CB C 31.930 . 1 601 83 83 MET CG C 32.440 . 1 602 83 83 MET CE C 12.530 . 1 603 83 83 MET N N 120.100 . 1 604 84 84 ASP H H 7.975 . 1 605 84 84 ASP HA H 4.608 . 1 606 84 84 ASP C C 176.500 . 1 607 84 84 ASP CA C 53.720 . 1 608 84 84 ASP CB C 40.510 . 1 609 84 84 ASP N N 115.800 . 1 610 85 85 GLY H H 7.622 . 1 611 85 85 GLY C C 174.300 . 1 612 85 85 GLY CA C 45.510 . 1 613 85 85 GLY N N 107.500 . 1 614 86 86 GLU H H 7.255 . 1 615 86 86 GLU HA H 4.385 . 1 616 86 86 GLU C C 174.400 . 1 617 86 86 GLU CA C 55.230 . 1 618 86 86 GLU CB C 30.770 . 1 619 86 86 GLU CG C 36.220 . 1 620 86 86 GLU N N 120.100 . 1 621 87 87 TRP H H 8.646 . 1 622 87 87 TRP HA H 4.968 . 1 623 87 87 TRP HD1 H 7.232 . 1 624 87 87 TRP HE1 H 10.040 . 1 625 87 87 TRP HE3 H 7.083 . 1 626 87 87 TRP HZ2 H 7.300 . 1 627 87 87 TRP HZ3 H 7.063 . 1 628 87 87 TRP HH2 H 6.942 . 1 629 87 87 TRP C C 176.400 . 1 630 87 87 TRP CA C 56.470 . 1 631 87 87 TRP CB C 30.500 . 1 632 87 87 TRP CD1 C 127.424 . 1 633 87 87 TRP CE3 C 119.650 . 1 634 87 87 TRP N N 121.200 . 1 635 87 87 TRP NE1 N 129.400 . 1 636 88 88 LYS H H 9.335 . 1 637 88 88 LYS HA H 4.806 . 1 638 88 88 LYS C C 174.900 . 1 639 88 88 LYS CA C 54.740 . 1 640 88 88 LYS CB C 35.970 . 1 641 88 88 LYS CG C 23.590 . 1 642 88 88 LYS CD C 29.270 . 1 643 88 88 LYS CE C 41.730 . 1 644 88 88 LYS N N 123.400 . 1 645 89 89 SER H H 8.672 . 1 646 89 89 SER HA H 4.884 . 1 647 89 89 SER C C 173.600 . 1 648 89 89 SER CA C 58.850 . 1 649 89 89 SER CB C 63.380 . 1 650 89 89 SER N N 118.400 . 1 651 90 90 THR H H 8.934 . 1 652 90 90 THR HA H 4.723 . 1 653 90 90 THR HB H 4.316 . 1 654 90 90 THR HG2 H 0.938 . 1 655 90 90 THR C C 170.000 . 1 656 90 90 THR CA C 59.690 . 1 657 90 90 THR CB C 69.060 . 1 658 90 90 THR CG2 C 20.210 . 1 659 90 90 THR N N 123.600 . 1 660 91 91 GLN H H 7.864 . 1 661 91 91 GLN HA H 5.953 . 1 662 91 91 GLN C C 174.500 . 1 663 91 91 GLN CA C 53.160 . 1 664 91 91 GLN CB C 33.770 . 1 665 91 91 GLN CG C 32.040 . 1 666 91 91 GLN N N 119.700 . 1 667 91 91 GLN NE2 N 110.200 . 1 668 92 92 ILE H H 9.209 . 1 669 92 92 ILE HA H 4.644 . 1 670 92 92 ILE HB H 1.292 . 1 671 92 92 ILE HG2 H 0.527 . 1 672 92 92 ILE HD1 H -0.086 . 1 673 92 92 ILE C C 171.500 . 1 674 92 92 ILE CA C 59.850 . 1 675 92 92 ILE CB C 42.450 . 1 676 92 92 ILE CG1 C 28.820 . 1 677 92 92 ILE CG2 C 16.960 . 1 678 92 92 ILE CD1 C 14.030 . 1 679 92 92 ILE N N 121.000 . 1 680 93 93 LEU H H 8.251 . 1 681 93 93 LEU HA H 3.393 . 1 682 93 93 LEU HG H 0.845 . 1 683 93 93 LEU C C 176.400 . 1 684 93 93 LEU CA C 55.100 . 1 685 93 93 LEU CB C 41.720 . 1 686 93 93 LEU CG C 26.020 . 1 687 93 93 LEU N N 131.400 . 1 688 94 94 LEU H H 8.802 . 1 689 94 94 LEU HA H 4.396 . 1 690 94 94 LEU C C 176.400 . 1 691 94 94 LEU CA C 55.090 . 1 692 94 94 LEU CB C 41.970 . 1 693 94 94 LEU CG C 26.440 . 1 694 94 94 LEU N N 125.890 . 1 695 95 95 ASP H H 7.474 . 1 696 95 95 ASP HA H 4.559 . 1 697 95 95 ASP C C 175.200 . 1 698 95 95 ASP CA C 54.760 . 1 699 95 95 ASP CB C 42.860 . 1 700 95 95 ASP N N 116.800 . 1 701 96 96 SER H H 8.176 . 1 702 96 96 SER HA H 4.443 . 1 703 96 96 SER C C 175.000 . 1 704 96 96 SER CA C 58.650 . 1 705 96 96 SER CB C 64.210 . 1 706 96 96 SER N N 115.500 . 1 707 97 97 GLN H H 8.237 . 1 708 97 97 GLN HA H 4.219 . 1 709 97 97 GLN C C 175.800 . 1 710 97 97 GLN CA C 56.020 . 1 711 97 97 GLN CB C 29.400 . 1 712 97 97 GLN CG C 33.650 . 1 713 97 97 GLN N N 121.400 . 1 714 97 97 GLN NE2 N 111.700 . 1 715 98 98 ILE H H 7.888 . 1 716 98 98 ILE HA H 3.912 . 1 717 98 98 ILE HB H 1.686 . 1 718 98 98 ILE HG2 H 0.973 . 1 719 98 98 ILE HD1 H 0.708 . 1 720 98 98 ILE C C 175.400 . 1 721 98 98 ILE CA C 61.419 . 1 722 98 98 ILE CB C 38.770 . 1 723 98 98 ILE CG1 C 27.210 . 1 724 98 98 ILE CG2 C 17.410 . 1 725 98 98 ILE CD1 C 13.190 . 1 726 98 98 ILE N N 120.300 . 1 727 99 99 ASP H H 8.172 . 1 728 99 99 ASP HA H 4.538 . 1 729 99 99 ASP C C 175.600 . 1 730 99 99 ASP CA C 54.160 . 1 731 99 99 ASP CB C 41.320 . 1 732 99 99 ASP N N 123.200 . 1 733 100 100 ASN H H 8.247 . 1 734 100 100 ASN HA H 4.709 . 1 735 100 100 ASN C C 174.200 . 1 736 100 100 ASN CA C 53.280 . 1 737 100 100 ASN CB C 39.070 . 1 738 100 100 ASN N N 119.900 . 1 739 100 100 ASN ND2 N 112.400 . 1 740 101 101 ASN H H 8.003 . 1 741 101 101 ASN HA H 4.405 . 1 742 101 101 ASN C C 179.500 . 1 743 101 101 ASN CA C 55.070 . 1 744 101 101 ASN CB C 40.720 . 1 745 101 101 ASN N N 124.300 . 1 746 101 101 ASN ND2 N 113.200 . 1 747 102 102 ASP H H 8.490 . 1 748 102 102 ASP HA H 4.571 . 1 749 102 102 ASP C C 177.200 . 1 750 102 102 ASP CA C 54.590 . 1 751 102 102 ASP CB C 40.940 . 1 752 102 102 ASP N N 127.490 . 1 753 103 103 SER H H 8.528 . 1 754 103 103 SER HA H 4.321 . 1 755 103 103 SER CA C 59.710 . 1 756 103 103 SER CB C 63.840 . 1 757 103 103 SER N N 116.500 . 1 758 104 104 GLN HA H 4.309 . 1 759 104 104 GLN C C 174.900 . 1 760 104 104 GLN CA C 55.630 . 1 761 104 104 GLN CB C 29.340 . 1 762 104 104 GLN CG C 33.740 . 1 763 104 104 GLN NE2 N 110.300 . 1 764 105 105 LEU H H 7.807 . 1 765 105 105 LEU HA H 4.105 . 1 766 105 105 LEU HG H 0.834 . 1 767 105 105 LEU C C 174.700 . 1 768 105 105 LEU CA C 56.760 . 1 769 105 105 LEU CB C 43.270 . 1 770 105 105 LEU CG C 26.900 . 1 771 105 105 LEU N N 128.700 . 1 772 106 106 GLU HA H 4.298 . 1 773 106 106 GLU C C 176.100 . 1 774 106 106 GLU CA C 56.460 . 1 775 106 106 GLU CB C 30.650 . 1 776 106 106 GLU CG C 36.090 . 1 777 107 107 ILE H H 8.108 . 1 778 107 107 ILE HA H 4.160 . 1 779 107 107 ILE HB H 1.838 . 1 780 107 107 ILE HG2 H 1.051 . 1 781 107 107 ILE HD1 H 0.864 . 1 782 107 107 ILE C C 175.600 . 1 783 107 107 ILE CA C 61.170 . 1 784 107 107 ILE CB C 38.940 . 1 785 107 107 ILE CG1 C 26.840 . 1 786 107 107 ILE CG2 C 17.510 . 1 787 107 107 ILE CD1 C 12.930 . 1 788 107 107 ILE N N 122.000 . 1 789 108 108 GLY H H 8.006 . 1 790 108 108 GLY C C 178.800 . 1 791 108 108 GLY CA C 46.080 . 1 792 108 108 GLY N N 119.000 . 1 stop_ save_