data_5185 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignment of the vascular endothelial growth factor receptor-binding domain in complex with a receptor-blocking peptide ; _BMRB_accession_number 5185 _BMRB_flat_file_name bmr5185.str _Entry_type original _Submission_date 2001-10-19 _Accession_date 2001-10-22 _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 Pan Borlan . . 2 Fairbrother Wayne J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 605 "13C chemical shifts" 444 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-05-07 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5186 'Assignments for vascular endothelial growth factor in free form' 5198 'Assignments for v107 in complex with vascular endothelial growth factor' stop_ _Original_release_date 2002-05-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C, and 15N Resonance Assignment of the Vascular Endothelial Growth Factor Receptor-binding Domain in Complex with a Receptor-blocking Peptide ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21880667 _PubMed_ID 11883783 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pan Borlan . . 2 Fairbrother Wayne J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 22 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 189 _Page_last 190 _Year 2002 _Details . loop_ _Keyword 'vascular endothelial growth factor' stop_ save_ ################################## # Molecular system description # ################################## save_system_VEGF _Saveframe_category molecular_system _Mol_system_name 'vascular endothelial growth factor receptor-binding domain dimer in complex with peptide v107' _Abbreviation_common VEGF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VEGF subunit 1' $VEGF 'VEGF subunit 2' $VEGF 'v107 subunit 1' $v107 'v107 subunit 2' $v107 stop_ _System_molecular_weight 27936.78 _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'VEGF subunit 1' 1 'VEGF subunit 2' 2 'v107 subunit 1' 2 'v107 subunit 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_VEGF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'vascular endothelial growth factor' _Name_variant VEGF(11-109) _Abbreviation_common VEGF _Molecular_mass 11625.4 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; HHEVVKFMDVYQRSYCHPIE TLVDIFQEYPDEIEYIFKPS CVPLMRCGGCCNDEGLECVP TEESNITMQIMRIKPHQGQH IGEMSFLQHNKCECRPKKD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 11 HIS 2 12 HIS 3 13 GLU 4 14 VAL 5 15 VAL 6 16 LYS 7 17 PHE 8 18 MET 9 19 ASP 10 20 VAL 11 21 TYR 12 22 GLN 13 23 ARG 14 24 SER 15 25 TYR 16 26 CYS 17 27 HIS 18 28 PRO 19 29 ILE 20 30 GLU 21 31 THR 22 32 LEU 23 33 VAL 24 34 ASP 25 35 ILE 26 36 PHE 27 37 GLN 28 38 GLU 29 39 TYR 30 40 PRO 31 41 ASP 32 42 GLU 33 43 ILE 34 44 GLU 35 45 TYR 36 46 ILE 37 47 PHE 38 48 LYS 39 49 PRO 40 50 SER 41 51 CYS 42 52 VAL 43 53 PRO 44 54 LEU 45 55 MET 46 56 ARG 47 57 CYS 48 58 GLY 49 59 GLY 50 60 CYS 51 61 CYS 52 62 ASN 53 63 ASP 54 64 GLU 55 65 GLY 56 66 LEU 57 67 GLU 58 68 CYS 59 69 VAL 60 70 PRO 61 71 THR 62 72 GLU 63 73 GLU 64 74 SER 65 75 ASN 66 76 ILE 67 77 THR 68 78 MET 69 79 GLN 70 80 ILE 71 81 MET 72 82 ARG 73 83 ILE 74 84 LYS 75 85 PRO 76 86 HIS 77 87 GLN 78 88 GLY 79 89 GLN 80 90 HIS 81 91 ILE 82 92 GLY 83 93 GLU 84 94 MET 85 95 SER 86 96 PHE 87 97 LEU 88 98 GLN 89 99 HIS 90 100 ASN 91 101 LYS 92 102 CYS 93 103 GLU 94 104 CYS 95 105 ARG 96 106 PRO 97 107 LYS 98 108 LYS 99 109 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1KAT "Solution Structure Of A Phage-Derived Peptide Antagonist In Complex With Vascular Endothelial Growth Factor" 100.00 19 100.00 100.00 3.23e-04 stop_ save_ save_v107 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'v107 peptide' _Name_variant v107 _Abbreviation_common v107 _Molecular_mass 2343.0 _Mol_thiol_state 'all disulfide bound' _Details . _Residue_count 19 _Mol_residue_sequence GGNECDIARMWEWECFERL loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLY 3 ASN 4 GLU 5 CYS 6 ASP 7 ILE 8 ALA 9 ARG 10 MET 11 TRP 12 GLU 13 TRP 14 GLU 15 CYS 16 PHE 17 GLU 18 ARG 19 LEU stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 BMRB 5198 'v107 peptide' 100.00 19 100.00 100.00 1.14e-02 PDB 1KAT 'Solution Structure Of A Phage-Derived Peptide Antagonist In Complex With Vascular Endothelial Growth Factor' 100.00 19 100.00 100.00 1.14e-02 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $VEGF Human 9606 Eukaryota Metazoa . . $v107 . . . . . . 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 $VEGF 'recombinant technology' 'E. coli' . . . . $v107 'chemical synthesis' . . . . . 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 $VEGF 2.0 mM '[U-98% 13C; U-98% 15N]' $v107 2.25 mM . H2O 90 % . D2O 10 % . stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VEGF 2.0 mM '[U-98% 13C; U-98% 15N]' $v107 2.25 mM . D2O 100 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ####################### # Sample conditions # ####################### save_Cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 n/a temperature 318 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $Cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'VEGF subunit 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 HIS HA H 3.96 0.02 1 2 . 1 HIS HB2 H 3.05 0.02 1 3 . 1 HIS HB3 H 3.05 0.02 1 4 . 1 HIS CA C 56.55 0.20 1 5 . 1 HIS CB C 32.93 0.20 1 6 . 2 HIS HA H 4.67 0.02 1 7 . 2 HIS HB2 H 3.14 0.02 2 8 . 2 HIS HB3 H 3.07 0.02 2 9 . 2 HIS CA C 56.23 0.20 1 10 . 2 HIS CB C 31.29 0.20 1 11 . 3 GLU HA H 4.34 0.02 1 12 . 3 GLU HB2 H 2.03 0.02 2 13 . 3 GLU HB3 H 1.95 0.02 2 14 . 3 GLU HG2 H 2.25 0.02 2 15 . 3 GLU HG3 H 2.21 0.02 2 16 . 3 GLU C C 175.71 0.20 1 17 . 3 GLU CA C 56.55 0.20 1 18 . 3 GLU CB C 30.56 0.20 1 19 . 3 GLU CG C 36.19 0.20 1 20 . 4 VAL H H 7.99 0.02 1 21 . 4 VAL HA H 4.25 0.02 1 22 . 4 VAL HB H 1.84 0.02 1 23 . 4 VAL HG1 H 0.72 0.02 1 24 . 4 VAL HG2 H 0.81 0.02 1 25 . 4 VAL C C 175.63 0.20 1 26 . 4 VAL CA C 61.43 0.20 1 27 . 4 VAL CB C 33.50 0.20 1 28 . 4 VAL CG1 C 20.80 0.20 1 29 . 4 VAL CG2 C 21.64 0.20 1 30 . 4 VAL N N 122.83 0.10 1 31 . 5 VAL H H 8.47 0.02 1 32 . 5 VAL HA H 4.09 0.02 1 33 . 5 VAL HB H 2.02 0.02 1 34 . 5 VAL HG1 H 1.11 0.02 1 35 . 5 VAL HG2 H 1.08 0.02 1 36 . 5 VAL C C 175.82 0.20 1 37 . 5 VAL CA C 62.72 0.20 1 38 . 5 VAL CB C 31.79 0.20 1 39 . 5 VAL CG1 C 22.53 0.20 1 40 . 5 VAL CG2 C 20.95 0.20 1 41 . 5 VAL N N 128.25 0.10 1 42 . 6 LYS H H 8.79 0.02 1 43 . 6 LYS HA H 4.08 0.02 1 44 . 6 LYS HB2 H 1.98 0.02 1 45 . 6 LYS HB3 H 1.98 0.02 1 46 . 6 LYS HG2 H 1.63 0.02 2 47 . 6 LYS HG3 H 1.53 0.02 2 48 . 6 LYS HD2 H 1.65 0.02 1 49 . 6 LYS HD3 H 1.65 0.02 1 50 . 6 LYS HE2 H 3.05 0.02 1 51 . 6 LYS HE3 H 3.05 0.02 1 52 . 6 LYS C C 177.98 0.20 1 53 . 6 LYS CA C 56.63 0.20 1 54 . 6 LYS CB C 32.75 0.20 1 55 . 6 LYS CG C 25.36 0.20 1 56 . 6 LYS CD C 29.16 0.20 1 57 . 6 LYS CE C 41.92 0.20 1 58 . 6 LYS N N 127.22 0.10 1 59 . 7 PHE H H 8.69 0.02 1 60 . 7 PHE HA H 4.42 0.02 1 61 . 7 PHE HB2 H 3.11 0.02 1 62 . 7 PHE HB3 H 2.73 0.02 1 63 . 7 PHE HD1 H 7.04 0.02 1 64 . 7 PHE HD2 H 7.04 0.02 1 65 . 7 PHE HE1 H 6.86 0.02 1 66 . 7 PHE HE2 H 6.86 0.02 1 67 . 7 PHE HZ H 6.19 0.02 1 68 . 7 PHE C C 176.10 0.20 1 69 . 7 PHE CA C 61.77 0.20 1 70 . 7 PHE CB C 39.86 0.20 1 71 . 7 PHE CD1 C 131.06 0.20 1 72 . 7 PHE CD2 C 131.06 0.20 1 73 . 7 PHE CE1 C 131.26 0.20 1 74 . 7 PHE CE2 C 131.26 0.20 1 75 . 7 PHE CZ C 128.84 0.20 1 76 . 7 PHE N N 122.11 0.10 1 77 . 8 MET H H 8.91 0.02 1 78 . 8 MET HA H 4.34 0.02 1 79 . 8 MET HB2 H 2.06 0.02 1 80 . 8 MET HB3 H 2.06 0.02 1 81 . 8 MET HG2 H 2.30 0.02 1 82 . 8 MET HG3 H 2.30 0.02 1 83 . 8 MET HE H 2.50 0.02 1 84 . 8 MET C C 179.33 0.20 1 85 . 8 MET CA C 56.94 0.20 1 86 . 8 MET CB C 29.44 0.20 1 87 . 8 MET CG C 33.75 0.20 1 88 . 8 MET CE C 15.59 0.20 1 89 . 8 MET N N 114.31 0.10 1 90 . 9 ASP H H 7.24 0.02 1 91 . 9 ASP HA H 4.55 0.02 1 92 . 9 ASP HB2 H 2.90 0.02 2 93 . 9 ASP HB3 H 2.67 0.02 2 94 . 9 ASP C C 177.76 0.20 1 95 . 9 ASP CA C 57.18 0.20 1 96 . 9 ASP CB C 40.64 0.20 1 97 . 9 ASP N N 118.89 0.10 1 98 . 10 VAL H H 7.81 0.02 1 99 . 10 VAL HA H 3.38 0.02 1 100 . 10 VAL HB H 2.24 0.02 1 101 . 10 VAL HG1 H 1.06 0.02 1 102 . 10 VAL HG2 H 1.12 0.02 1 103 . 10 VAL C C 177.96 0.20 1 104 . 10 VAL CA C 66.63 0.20 1 105 . 10 VAL CB C 31.86 0.20 1 106 . 10 VAL CG1 C 22.46 0.20 1 107 . 10 VAL CG2 C 23.62 0.20 1 108 . 10 VAL N N 119.77 0.10 1 109 . 11 TYR H H 8.55 0.02 1 110 . 11 TYR HA H 4.01 0.02 1 111 . 11 TYR HB2 H 2.68 0.02 1 112 . 11 TYR HB3 H 2.40 0.02 1 113 . 11 TYR HD1 H 7.09 0.02 1 114 . 11 TYR HD2 H 7.09 0.02 1 115 . 11 TYR HE1 H 7.45 0.02 1 116 . 11 TYR HE2 H 7.45 0.02 1 117 . 11 TYR C C 177.59 0.20 1 118 . 11 TYR CA C 61.06 0.20 1 119 . 11 TYR CB C 38.44 0.20 1 120 . 11 TYR CD1 C 132.56 0.20 1 121 . 11 TYR CD2 C 132.56 0.20 1 122 . 11 TYR CE1 C 118.34 0.20 1 123 . 11 TYR CE2 C 118.34 0.20 1 124 . 11 TYR N N 118.68 0.10 1 125 . 12 GLN H H 8.26 0.02 1 126 . 12 GLN HA H 3.82 0.02 1 127 . 12 GLN HB2 H 2.03 0.02 1 128 . 12 GLN HB3 H 2.29 0.02 1 129 . 12 GLN HG2 H 3.02 0.02 2 130 . 12 GLN HG3 H 2.52 0.02 2 131 . 12 GLN HE21 H 7.32 0.02 1 132 . 12 GLN HE22 H 6.81 0.02 1 133 . 12 GLN C C 178.29 0.20 1 134 . 12 GLN CA C 59.23 0.20 1 135 . 12 GLN CB C 28.17 0.20 1 136 . 12 GLN CG C 35.27 0.20 1 137 . 12 GLN N N 115.68 0.10 1 138 . 12 GLN NE2 N 110.21 0.10 1 139 . 13 ARG H H 7.76 0.02 1 140 . 13 ARG HA H 4.03 0.02 1 141 . 13 ARG HB2 H 1.84 0.02 1 142 . 13 ARG HB3 H 1.84 0.02 1 143 . 13 ARG HG2 H 1.98 0.02 2 144 . 13 ARG HG3 H 1.66 0.02 2 145 . 13 ARG HD2 H 3.24 0.02 2 146 . 13 ARG HD3 H 3.03 0.02 2 147 . 13 ARG C C 177.25 0.20 1 148 . 13 ARG CA C 57.91 0.20 1 149 . 13 ARG CB C 31.34 0.20 1 150 . 13 ARG CG C 27.85 0.20 1 151 . 13 ARG CD C 43.64 0.20 1 152 . 13 ARG N N 116.13 0.10 1 153 . 14 SER H H 7.83 0.02 1 154 . 14 SER HA H 4.36 0.02 1 155 . 14 SER HB2 H 3.57 0.02 1 156 . 14 SER HB3 H 3.57 0.02 1 157 . 14 SER C C 172.57 0.20 1 158 . 14 SER CA C 58.54 0.20 1 159 . 14 SER CB C 64.63 0.20 1 160 . 14 SER N N 112.74 0.10 1 161 . 15 TYR H H 6.86 0.02 1 162 . 15 TYR HA H 4.19 0.02 1 163 . 15 TYR HB2 H 2.70 0.02 1 164 . 15 TYR HB3 H 2.56 0.02 1 165 . 15 TYR HD1 H 7.03 0.02 1 166 . 15 TYR HD2 H 7.03 0.02 1 167 . 15 TYR HE1 H 6.68 0.02 1 168 . 15 TYR HE2 H 6.68 0.02 1 169 . 15 TYR C C 175.23 0.20 1 170 . 15 TYR CA C 59.66 0.20 1 171 . 15 TYR CB C 38.47 0.20 1 172 . 15 TYR CD1 C 134.33 0.20 1 173 . 15 TYR CD2 C 134.33 0.20 1 174 . 15 TYR CE1 C 116.59 0.20 1 175 . 15 TYR CE2 C 116.59 0.20 1 176 . 15 TYR N N 123.40 0.10 1 177 . 16 CYS H H 7.13 0.02 1 178 . 16 CYS HA H 4.70 0.02 1 179 . 16 CYS HB2 H 2.10 0.02 1 180 . 16 CYS HB3 H 2.10 0.02 1 181 . 16 CYS C C 171.53 0.20 1 182 . 16 CYS CA C 55.68 0.20 1 183 . 16 CYS CB C 37.71 0.20 1 184 . 16 CYS N N 127.35 0.10 1 185 . 17 HIS H H 9.20 0.02 1 186 . 17 HIS HA H 4.84 0.02 1 187 . 17 HIS HB2 H 3.67 0.02 2 188 . 17 HIS HB3 H 3.36 0.02 2 189 . 17 HIS C C 170.46 0.20 1 190 . 17 HIS CA C 55.73 0.20 1 191 . 17 HIS CB C 26.36 0.20 1 192 . 17 HIS N N 124.72 0.10 1 193 . 18 PRO HA H 4.31 0.02 1 194 . 18 PRO HB2 H 1.90 0.02 1 195 . 18 PRO HB3 H 1.90 0.02 1 196 . 18 PRO HG2 H 1.99 0.02 2 197 . 18 PRO HG3 H 1.91 0.02 2 198 . 18 PRO HD2 H 3.58 0.02 2 199 . 18 PRO HD3 H 3.24 0.02 2 200 . 18 PRO C C 175.22 0.20 1 201 . 18 PRO CA C 64.59 0.20 1 202 . 18 PRO CB C 31.78 0.20 1 203 . 18 PRO CG C 26.86 0.20 1 204 . 18 PRO CD C 50.16 0.20 1 205 . 19 ILE H H 8.99 0.02 1 206 . 19 ILE HA H 4.55 0.02 1 207 . 19 ILE HB H 1.39 0.02 1 208 . 19 ILE HG12 H 1.45 0.02 2 209 . 19 ILE HG13 H 1.08 0.02 2 210 . 19 ILE HG2 H 0.62 0.02 1 211 . 19 ILE HD1 H 0.69 0.02 1 212 . 19 ILE C C 175.10 0.20 1 213 . 19 ILE CA C 59.10 0.20 1 214 . 19 ILE CB C 42.60 0.20 1 215 . 19 ILE CG1 C 27.45 0.20 1 216 . 19 ILE CG2 C 16.16 0.20 1 217 . 19 ILE CD1 C 14.24 0.20 1 218 . 19 ILE N N 124.03 0.10 1 219 . 20 GLU H H 8.60 0.02 1 220 . 20 GLU HA H 4.20 0.02 1 221 . 20 GLU HB2 H 1.96 0.02 1 222 . 20 GLU HB3 H 1.96 0.02 1 223 . 20 GLU HG2 H 2.00 0.02 1 224 . 20 GLU HG3 H 2.00 0.02 1 225 . 20 GLU C C 175.18 0.20 1 226 . 20 GLU CA C 58.99 0.20 1 227 . 20 GLU CB C 29.48 0.20 1 228 . 20 GLU CG C 36.80 0.20 1 229 . 20 GLU N N 129.77 0.10 1 230 . 21 THR H H 9.38 0.02 1 231 . 21 THR HA H 4.29 0.02 1 232 . 21 THR HB H 3.86 0.02 1 233 . 21 THR HG2 H 1.09 0.02 1 234 . 21 THR C C 171.62 0.20 1 235 . 21 THR CA C 61.47 0.20 1 236 . 21 THR CB C 71.19 0.20 1 237 . 21 THR CG2 C 19.99 0.20 1 238 . 21 THR N N 127.14 0.10 1 239 . 22 LEU H H 8.57 0.02 1 240 . 22 LEU HA H 4.89 0.02 1 241 . 22 LEU HB2 H 1.76 0.02 2 242 . 22 LEU HB3 H 0.97 0.02 2 243 . 22 LEU HG H 1.62 0.02 1 244 . 22 LEU HD1 H 0.74 0.02 1 245 . 22 LEU HD2 H 0.73 0.02 1 246 . 22 LEU C C 176.17 0.20 1 247 . 22 LEU CA C 53.02 0.20 1 248 . 22 LEU CB C 39.59 0.20 1 249 . 22 LEU CG C 27.35 0.20 1 250 . 22 LEU CD1 C 24.75 0.20 1 251 . 22 LEU CD2 C 23.85 0.20 1 252 . 22 LEU N N 128.46 0.10 1 253 . 23 VAL H H 8.67 0.02 1 254 . 23 VAL HA H 4.13 0.02 1 255 . 23 VAL HB H 1.74 0.02 1 256 . 23 VAL HG1 H 0.86 0.02 1 257 . 23 VAL HG2 H 0.75 0.02 1 258 . 23 VAL C C 175.42 0.20 1 259 . 23 VAL CA C 61.07 0.20 1 260 . 23 VAL CB C 34.68 0.20 1 261 . 23 VAL CG1 C 21.69 0.20 1 262 . 23 VAL CG2 C 21.60 0.20 1 263 . 23 VAL N N 125.51 0.10 1 264 . 24 ASP H H 8.54 0.02 1 265 . 24 ASP HA H 4.71 0.02 1 266 . 24 ASP HB2 H 2.78 0.02 1 267 . 24 ASP HB3 H 2.65 0.02 1 268 . 24 ASP C C 177.58 0.20 1 269 . 24 ASP CA C 54.64 0.20 1 270 . 24 ASP CB C 41.99 0.20 1 271 . 24 ASP N N 127.07 0.10 1 272 . 25 ILE H H 8.62 0.02 1 273 . 25 ILE HA H 3.50 0.02 1 274 . 25 ILE HB H 1.43 0.02 1 275 . 25 ILE HG12 H 1.40 0.02 2 276 . 25 ILE HG13 H 0.81 0.02 2 277 . 25 ILE HG2 H 0.29 0.02 1 278 . 25 ILE HD1 H 0.70 0.02 1 279 . 25 ILE C C 177.94 0.20 1 280 . 25 ILE CA C 66.67 0.20 1 281 . 25 ILE CB C 37.76 0.20 1 282 . 25 ILE CG1 C 30.52 0.20 1 283 . 25 ILE CG2 C 17.04 0.20 1 284 . 25 ILE CD1 C 14.39 0.20 1 285 . 25 ILE N N 127.39 0.10 1 286 . 26 PHE H H 8.52 0.02 1 287 . 26 PHE HA H 4.52 0.02 1 288 . 26 PHE HB2 H 3.31 0.02 1 289 . 26 PHE HB3 H 3.31 0.02 1 290 . 26 PHE HD1 H 7.63 0.02 1 291 . 26 PHE HD2 H 7.63 0.02 1 292 . 26 PHE HE1 H 7.58 0.02 1 293 . 26 PHE HE2 H 7.58 0.02 1 294 . 26 PHE HZ H 7.67 0.02 1 295 . 26 PHE C C 177.16 0.20 1 296 . 26 PHE CA C 59.41 0.20 1 297 . 26 PHE CB C 38.09 0.20 1 298 . 26 PHE CD1 C 131.69 0.20 1 299 . 26 PHE CD2 C 131.69 0.20 1 300 . 26 PHE CE1 C 131.47 0.20 1 301 . 26 PHE CE2 C 131.47 0.20 1 302 . 26 PHE CZ C 130.38 0.20 1 303 . 26 PHE N N 117.21 0.10 1 304 . 27 GLN H H 7.56 0.02 1 305 . 27 GLN HA H 4.18 0.02 1 306 . 27 GLN HB2 H 2.30 0.02 1 307 . 27 GLN HB3 H 2.30 0.02 1 308 . 27 GLN HG2 H 2.48 0.02 1 309 . 27 GLN HG3 H 2.48 0.02 1 310 . 27 GLN HE21 H 7.68 0.02 1 311 . 27 GLN HE22 H 6.84 0.02 1 312 . 27 GLN C C 177.30 0.20 1 313 . 27 GLN CA C 57.84 0.20 1 314 . 27 GLN CB C 28.88 0.20 1 315 . 27 GLN CG C 34.29 0.20 1 316 . 27 GLN N N 116.11 0.10 1 317 . 27 GLN NE2 N 112.48 0.10 1 318 . 28 GLU H H 7.24 0.02 1 319 . 28 GLU HA H 4.16 0.02 1 320 . 28 GLU HB2 H 2.20 0.02 1 321 . 28 GLU HB3 H 2.20 0.02 1 322 . 28 GLU HG2 H 2.04 0.02 2 323 . 28 GLU HG3 H 1.96 0.02 2 324 . 28 GLU C C 176.11 0.20 1 325 . 28 GLU CA C 56.81 0.20 1 326 . 28 GLU CB C 31.21 0.20 1 327 . 28 GLU CG C 36.71 0.20 1 328 . 28 GLU N N 117.74 0.10 1 329 . 29 TYR H H 8.24 0.02 1 330 . 29 TYR HA H 4.93 0.02 1 331 . 29 TYR HB2 H 3.19 0.02 2 332 . 29 TYR HB3 H 2.56 0.02 2 333 . 29 TYR HD1 H 7.08 0.02 1 334 . 29 TYR HD2 H 7.08 0.02 1 335 . 29 TYR HE1 H 6.50 0.02 1 336 . 29 TYR HE2 H 6.50 0.02 1 337 . 29 TYR C C 173.46 0.20 1 338 . 29 TYR CA C 56.62 0.20 1 339 . 29 TYR CB C 38.37 0.20 1 340 . 29 TYR CD1 C 132.99 0.20 1 341 . 29 TYR CD2 C 132.99 0.20 1 342 . 29 TYR CE1 C 117.68 0.20 1 343 . 29 TYR CE2 C 117.68 0.20 1 344 . 29 TYR N N 117.84 0.10 1 345 . 30 PRO HA H 4.67 0.02 1 346 . 30 PRO HB2 H 2.34 0.02 2 347 . 30 PRO HB3 H 1.91 0.02 2 348 . 30 PRO HG2 H 2.00 0.02 1 349 . 30 PRO HG3 H 2.00 0.02 1 350 . 30 PRO HD2 H 3.67 0.02 2 351 . 30 PRO HD3 H 3.57 0.02 2 352 . 30 PRO C C 177.77 0.20 1 353 . 30 PRO CA C 64.67 0.20 1 354 . 30 PRO CB C 31.91 0.20 1 355 . 30 PRO CG C 27.02 0.20 1 356 . 30 PRO CD C 50.51 0.20 1 357 . 31 ASP H H 8.48 0.02 1 358 . 31 ASP HA H 4.83 0.02 1 359 . 31 ASP HB2 H 2.92 0.02 2 360 . 31 ASP HB3 H 2.77 0.02 2 361 . 31 ASP C C 177.51 0.20 1 362 . 31 ASP CA C 54.44 0.20 1 363 . 31 ASP CB C 40.69 0.20 1 364 . 31 ASP N N 115.77 0.10 1 365 . 32 GLU H H 7.80 0.02 1 366 . 32 GLU HA H 4.88 0.02 1 367 . 32 GLU HB2 H 2.83 0.02 2 368 . 32 GLU HB3 H 2.34 0.02 2 369 . 32 GLU HG2 H 2.45 0.02 2 370 . 32 GLU HG3 H 2.38 0.02 2 371 . 32 GLU C C 176.37 0.20 1 372 . 32 GLU CA C 56.33 0.20 1 373 . 32 GLU CB C 28.69 0.20 1 374 . 32 GLU CG C 36.54 0.20 1 375 . 32 GLU N N 121.77 0.10 1 376 . 33 ILE H H 7.42 0.02 1 377 . 33 ILE HA H 4.36 0.02 1 378 . 33 ILE HB H 2.08 0.02 1 379 . 33 ILE HG12 H 1.35 0.02 2 380 . 33 ILE HG13 H 1.27 0.02 2 381 . 33 ILE HG2 H 0.97 0.02 1 382 . 33 ILE HD1 H 0.90 0.02 1 383 . 33 ILE C C 176.58 0.20 1 384 . 33 ILE CA C 62.09 0.20 1 385 . 33 ILE CB C 39.21 0.20 1 386 . 33 ILE CG1 C 26.95 0.20 1 387 . 33 ILE CG2 C 18.19 0.20 1 388 . 33 ILE CD1 C 14.39 0.20 1 389 . 33 ILE N N 114.85 0.10 1 390 . 34 GLU H H 8.46 0.02 1 391 . 34 GLU HA H 4.19 0.02 1 392 . 34 GLU HB2 H 1.77 0.02 1 393 . 34 GLU HB3 H 1.77 0.02 1 394 . 34 GLU HG2 H 2.03 0.02 2 395 . 34 GLU HG3 H 1.96 0.02 2 396 . 34 GLU C C 175.78 0.20 1 397 . 34 GLU CA C 57.50 0.20 1 398 . 34 GLU CB C 30.20 0.20 1 399 . 34 GLU CG C 36.75 0.20 1 400 . 34 GLU N N 120.57 0.10 1 401 . 35 TYR H H 7.67 0.02 1 402 . 35 TYR HA H 4.79 0.02 1 403 . 35 TYR HB2 H 2.35 0.02 1 404 . 35 TYR HB3 H 2.35 0.02 1 405 . 35 TYR HD1 H 7.03 0.02 1 406 . 35 TYR HD2 H 7.03 0.02 1 407 . 35 TYR HE1 H 6.89 0.02 1 408 . 35 TYR HE2 H 6.89 0.02 1 409 . 35 TYR C C 175.15 0.20 1 410 . 35 TYR CA C 57.07 0.20 1 411 . 35 TYR CB C 40.83 0.20 1 412 . 35 TYR CD1 C 133.28 0.20 1 413 . 35 TYR CD2 C 133.28 0.20 1 414 . 35 TYR CE1 C 118.19 0.20 1 415 . 35 TYR CE2 C 118.19 0.20 1 416 . 35 TYR N N 116.20 0.10 1 417 . 36 ILE H H 8.47 0.02 1 418 . 36 ILE HA H 4.28 0.02 1 419 . 36 ILE HB H 1.80 0.02 1 420 . 36 ILE HG12 H 1.56 0.02 2 421 . 36 ILE HG13 H 1.20 0.02 2 422 . 36 ILE HG2 H 0.99 0.02 1 423 . 36 ILE HD1 H 0.92 0.02 1 424 . 36 ILE C C 174.63 0.20 1 425 . 36 ILE CA C 60.50 0.20 1 426 . 36 ILE CB C 40.06 0.20 1 427 . 36 ILE CG1 C 27.54 0.20 1 428 . 36 ILE CG2 C 17.82 0.20 1 429 . 36 ILE CD1 C 13.74 0.20 1 430 . 36 ILE N N 118.24 0.10 1 431 . 37 PHE H H 8.16 0.02 1 432 . 37 PHE HA H 5.69 0.02 1 433 . 37 PHE HB2 H 3.09 0.02 1 434 . 37 PHE HB3 H 2.60 0.02 1 435 . 37 PHE HD1 H 7.11 0.02 1 436 . 37 PHE HD2 H 7.11 0.02 1 437 . 37 PHE HE1 H 7.14 0.02 1 438 . 37 PHE HE2 H 7.14 0.02 1 439 . 37 PHE HZ H 7.19 0.02 1 440 . 37 PHE C C 176.40 0.20 1 441 . 37 PHE CA C 56.45 0.20 1 442 . 37 PHE CB C 42.52 0.20 1 443 . 37 PHE CD1 C 131.71 0.20 1 444 . 37 PHE CD2 C 131.71 0.20 1 445 . 37 PHE CE1 C 130.78 0.20 1 446 . 37 PHE CE2 C 130.78 0.20 1 447 . 37 PHE CZ C 128.67 0.20 1 448 . 37 PHE N N 123.45 0.10 1 449 . 38 LYS H H 8.99 0.02 1 450 . 38 LYS HA H 4.78 0.02 1 451 . 38 LYS HB2 H 2.09 0.02 2 452 . 38 LYS HB3 H 1.96 0.02 2 453 . 38 LYS HG2 H 1.61 0.02 2 454 . 38 LYS HG3 H 1.52 0.02 2 455 . 38 LYS HD2 H 2.10 0.02 2 456 . 38 LYS HD3 H 1.91 0.02 2 457 . 38 LYS HE2 H 3.15 0.02 2 458 . 38 LYS HE3 H 2.89 0.02 2 459 . 38 LYS C C 175.27 0.20 1 460 . 38 LYS CA C 53.89 0.20 1 461 . 38 LYS CB C 36.21 0.20 1 462 . 38 LYS CG C 25.46 0.20 1 463 . 38 LYS CD C 28.99 0.20 1 464 . 38 LYS CE C 42.45 0.20 1 465 . 38 LYS N N 119.74 0.10 1 466 . 39 PRO HA H 5.24 0.02 1 467 . 39 PRO HB2 H 2.76 0.02 1 468 . 39 PRO HB3 H 2.76 0.02 1 469 . 39 PRO HG2 H 2.05 0.02 2 470 . 39 PRO HG3 H 1.81 0.02 2 471 . 39 PRO HD2 H 4.16 0.02 2 472 . 39 PRO HD3 H 3.29 0.02 2 473 . 39 PRO C C 174.13 0.20 1 474 . 39 PRO CA C 63.69 0.20 1 475 . 39 PRO CB C 36.05 0.20 1 476 . 39 PRO CG C 25.55 0.20 1 477 . 39 PRO CD C 49.17 0.20 1 478 . 40 SER H H 8.28 0.02 1 479 . 40 SER HA H 4.35 0.02 1 480 . 40 SER HB2 H 4.36 0.02 2 481 . 40 SER HB3 H 4.08 0.02 2 482 . 40 SER C C 173.13 0.20 1 483 . 40 SER CA C 58.97 0.20 1 484 . 40 SER CB C 63.77 0.20 1 485 . 40 SER N N 108.19 0.10 1 486 . 41 CYS H H 8.14 0.02 1 487 . 41 CYS HA H 5.68 0.02 1 488 . 41 CYS HB2 H 3.49 0.02 1 489 . 41 CYS HB3 H 2.26 0.02 1 490 . 41 CYS C C 170.78 0.20 1 491 . 41 CYS CA C 55.80 0.20 1 492 . 41 CYS CB C 39.31 0.20 1 493 . 41 CYS N N 123.68 0.10 1 494 . 42 VAL H H 8.47 0.02 1 495 . 42 VAL HA H 4.83 0.02 1 496 . 42 VAL HB H 1.42 0.02 1 497 . 42 VAL HG1 H 0.44 0.02 1 498 . 42 VAL HG2 H -0.11 0.02 1 499 . 42 VAL C C 172.74 0.20 1 500 . 42 VAL CA C 56.80 0.20 1 501 . 42 VAL CB C 34.11 0.20 1 502 . 42 VAL CG1 C 23.32 0.20 1 503 . 42 VAL CG2 C 16.21 0.20 1 504 . 42 VAL N N 110.01 0.10 1 505 . 43 PRO HA H 4.97 0.02 1 506 . 43 PRO HB2 H 1.91 0.02 2 507 . 43 PRO HB3 H 1.61 0.02 2 508 . 43 PRO HG2 H 2.26 0.02 2 509 . 43 PRO HG3 H 1.64 0.02 2 510 . 43 PRO HD2 H 3.55 0.02 2 511 . 43 PRO HD3 H 3.42 0.02 2 512 . 43 PRO C C 175.26 0.20 1 513 . 43 PRO CA C 60.79 0.20 1 514 . 43 PRO CB C 30.31 0.20 1 515 . 43 PRO CG C 26.77 0.20 1 516 . 43 PRO CD C 49.60 0.20 1 517 . 44 LEU H H 9.00 0.02 1 518 . 44 LEU HA H 4.74 0.02 1 519 . 44 LEU HB2 H 1.34 0.02 1 520 . 44 LEU HB3 H 1.19 0.02 1 521 . 44 LEU HG H 1.17 0.02 1 522 . 44 LEU HD1 H 0.60 0.02 2 523 . 44 LEU HD2 H 0.58 0.02 2 524 . 44 LEU C C 176.44 0.20 1 525 . 44 LEU CA C 52.52 0.20 1 526 . 44 LEU CB C 47.02 0.20 1 527 . 44 LEU CG C 26.40 0.20 1 528 . 44 LEU CD1 C 25.32 0.20 2 529 . 44 LEU CD2 C 23.67 0.20 2 530 . 44 LEU N N 124.35 0.10 1 531 . 45 MET H H 8.63 0.02 1 532 . 45 MET HA H 4.78 0.02 1 533 . 45 MET HB2 H 2.57 0.02 2 534 . 45 MET HB3 H 2.66 0.02 2 535 . 45 MET HG2 H 1.78 0.02 1 536 . 45 MET HG3 H 1.78 0.02 1 537 . 45 MET HE H 1.93 0.02 1 538 . 45 MET C C 176.61 0.20 1 539 . 45 MET CA C 53.79 0.20 1 540 . 45 MET CB C 31.38 0.20 1 541 . 45 MET CG C 30.96 0.20 1 542 . 45 MET CE C 16.09 0.20 1 543 . 45 MET N N 121.13 0.10 1 544 . 46 ARG H H 8.65 0.02 1 545 . 46 ARG HA H 4.58 0.02 1 546 . 46 ARG HB2 H 1.75 0.02 1 547 . 46 ARG HB3 H 1.75 0.02 1 548 . 46 ARG HG2 H 1.45 0.02 2 549 . 46 ARG HG3 H 1.00 0.02 2 550 . 46 ARG HD2 H 2.60 0.02 2 551 . 46 ARG HD3 H 2.19 0.02 2 552 . 46 ARG C C 176.05 0.20 1 553 . 46 ARG CA C 51.98 0.20 1 554 . 46 ARG CB C 34.68 0.20 1 555 . 46 ARG CG C 26.91 0.20 1 556 . 46 ARG CD C 41.40 0.20 1 557 . 46 ARG N N 125.39 0.10 1 558 . 47 CYS H H 12.12 0.02 1 559 . 47 CYS HA H 4.34 0.02 1 560 . 47 CYS HB2 H 2.79 0.02 1 561 . 47 CYS HB3 H 2.79 0.02 1 562 . 47 CYS C C 175.09 0.20 1 563 . 47 CYS CA C 57.18 0.20 1 564 . 47 CYS CB C 39.52 0.20 1 565 . 47 CYS N N 125.87 0.10 1 566 . 48 GLY H H 8.41 0.02 1 567 . 48 GLY HA2 H 3.67 0.02 2 568 . 48 GLY HA3 H 4.33 0.02 2 569 . 48 GLY C C 170.24 0.20 1 570 . 48 GLY CA C 44.46 0.20 1 571 . 48 GLY N N 111.95 0.10 1 572 . 49 GLY H H 8.25 0.02 1 573 . 49 GLY HA2 H 3.48 0.02 2 574 . 49 GLY HA3 H 4.63 0.02 2 575 . 49 GLY C C 173.71 0.20 1 576 . 49 GLY CA C 44.62 0.20 1 577 . 49 GLY N N 104.01 0.10 1 578 . 50 CYS H H 8.08 0.02 1 579 . 50 CYS HA H 5.24 0.02 1 580 . 50 CYS HB2 H 3.38 0.02 1 581 . 50 CYS HB3 H 3.38 0.02 1 582 . 50 CYS C C 174.66 0.20 1 583 . 50 CYS CA C 52.48 0.20 1 584 . 50 CYS CB C 43.56 0.20 1 585 . 50 CYS N N 111.52 0.10 1 586 . 51 CYS H H 8.08 0.02 1 587 . 51 CYS HA H 4.54 0.02 1 588 . 51 CYS HB2 H 3.40 0.02 1 589 . 51 CYS HB3 H 2.73 0.02 1 590 . 51 CYS C C 174.51 0.20 1 591 . 51 CYS CA C 54.13 0.20 1 592 . 51 CYS CB C 45.06 0.20 1 593 . 51 CYS N N 117.91 0.10 1 594 . 52 ASN HA H 4.61 0.02 1 595 . 52 ASN HB2 H 2.62 0.02 2 596 . 52 ASN HB3 H 2.31 0.02 2 597 . 52 ASN HD21 H 6.77 0.02 1 598 . 52 ASN HD22 H 6.17 0.02 1 599 . 52 ASN C C 172.98 0.20 1 600 . 52 ASN CA C 55.44 0.20 1 601 . 52 ASN CB C 38.04 0.20 1 602 . 52 ASN ND2 N 115.32 0.10 1 603 . 53 ASP H H 6.83 0.02 1 604 . 53 ASP HA H 4.83 0.02 1 605 . 53 ASP HB2 H 2.56 0.02 1 606 . 53 ASP HB3 H 2.30 0.02 1 607 . 53 ASP C C 175.53 0.20 1 608 . 53 ASP CA C 53.05 0.20 1 609 . 53 ASP CB C 47.18 0.20 1 610 . 53 ASP N N 114.00 0.10 1 611 . 54 GLU H H 8.79 0.02 1 612 . 54 GLU HA H 4.28 0.02 1 613 . 54 GLU HB2 H 2.17 0.02 1 614 . 54 GLU HB3 H 2.17 0.02 1 615 . 54 GLU HG2 H 2.41 0.02 2 616 . 54 GLU HG3 H 2.37 0.02 2 617 . 54 GLU C C 176.22 0.20 1 618 . 54 GLU CA C 58.33 0.20 1 619 . 54 GLU CB C 29.39 0.20 1 620 . 54 GLU CG C 36.26 0.20 1 621 . 54 GLU N N 123.92 0.10 1 622 . 55 GLY H H 9.12 0.02 1 623 . 55 GLY HA2 H 3.76 0.02 2 624 . 55 GLY HA3 H 4.18 0.02 2 625 . 55 GLY C C 173.45 0.20 1 626 . 55 GLY CA C 45.07 0.20 1 627 . 55 GLY N N 107.96 0.10 1 628 . 56 LEU H H 7.57 0.02 1 629 . 56 LEU HA H 4.95 0.02 1 630 . 56 LEU HB2 H 1.79 0.02 1 631 . 56 LEU HB3 H 1.26 0.02 1 632 . 56 LEU HG H 1.55 0.02 1 633 . 56 LEU HD1 H 0.89 0.02 1 634 . 56 LEU HD2 H 0.67 0.02 1 635 . 56 LEU C C 174.48 0.20 1 636 . 56 LEU CA C 53.18 0.20 1 637 . 56 LEU CB C 44.36 0.20 1 638 . 56 LEU CG C 27.56 0.20 1 639 . 56 LEU CD1 C 27.63 0.20 1 640 . 56 LEU CD2 C 23.32 0.20 1 641 . 56 LEU N N 120.67 0.10 1 642 . 57 GLU H H 9.24 0.02 1 643 . 57 GLU HA H 4.67 0.02 1 644 . 57 GLU HB2 H 1.90 0.02 2 645 . 57 GLU HB3 H 1.84 0.02 2 646 . 57 GLU HG2 H 2.19 0.02 2 647 . 57 GLU HG3 H 2.15 0.02 2 648 . 57 GLU C C 173.94 0.20 1 649 . 57 GLU CA C 53.19 0.20 1 650 . 57 GLU CB C 32.81 0.20 1 651 . 57 GLU CG C 34.71 0.20 1 652 . 57 GLU N N 118.67 0.10 1 653 . 58 CYS H H 8.60 0.02 1 654 . 58 CYS HA H 4.81 0.02 1 655 . 58 CYS HB2 H 2.75 0.02 1 656 . 58 CYS HB3 H 2.49 0.02 1 657 . 58 CYS C C 173.88 0.20 1 658 . 58 CYS CA C 54.48 0.20 1 659 . 58 CYS CB C 35.76 0.20 1 660 . 58 CYS N N 122.77 0.10 1 661 . 59 VAL H H 8.94 0.02 1 662 . 59 VAL HA H 4.87 0.02 1 663 . 59 VAL HB H 2.17 0.02 1 664 . 59 VAL HG1 H 0.85 0.02 2 665 . 59 VAL HG2 H 0.84 0.02 2 666 . 59 VAL C C 172.65 0.20 1 667 . 59 VAL CA C 57.70 0.20 1 668 . 59 VAL CB C 34.08 0.20 1 669 . 59 VAL CG1 C 21.83 0.20 2 670 . 59 VAL CG2 C 18.33 0.20 2 671 . 59 VAL N N 123.99 0.10 1 672 . 60 PRO HA H 5.10 0.02 1 673 . 60 PRO HB2 H 1.49 0.02 2 674 . 60 PRO HB3 H 1.10 0.02 2 675 . 60 PRO HG2 H 1.84 0.02 1 676 . 60 PRO HG3 H 1.84 0.02 1 677 . 60 PRO HD2 H 3.68 0.02 2 678 . 60 PRO HD3 H 3.28 0.02 2 679 . 60 PRO C C 178.25 0.20 1 680 . 60 PRO CA C 62.15 0.20 1 681 . 60 PRO CB C 31.68 0.20 1 682 . 60 PRO CG C 27.15 0.20 1 683 . 60 PRO CD C 50.45 0.20 1 684 . 61 THR H H 8.45 0.02 1 685 . 61 THR HA H 4.42 0.02 1 686 . 61 THR HB H 4.26 0.02 1 687 . 61 THR HG2 H 0.98 0.02 1 688 . 61 THR C C 175.15 0.20 1 689 . 61 THR CA C 60.81 0.20 1 690 . 61 THR CB C 68.64 0.20 1 691 . 61 THR CG2 C 22.89 0.20 1 692 . 61 THR N N 110.69 0.10 1 693 . 62 GLU H H 7.20 0.02 1 694 . 62 GLU HA H 4.61 0.02 1 695 . 62 GLU HB2 H 1.98 0.02 2 696 . 62 GLU HB3 H 1.92 0.02 2 697 . 62 GLU HG2 H 2.37 0.02 2 698 . 62 GLU HG3 H 2.23 0.02 2 699 . 62 GLU C C 174.97 0.20 1 700 . 62 GLU CA C 56.77 0.20 1 701 . 62 GLU CB C 34.03 0.20 1 702 . 62 GLU CG C 36.59 0.20 1 703 . 62 GLU N N 120.77 0.10 1 704 . 63 GLU H H 8.82 0.02 1 705 . 63 GLU HA H 5.50 0.02 1 706 . 63 GLU HB2 H 2.31 0.02 2 707 . 63 GLU HB3 H 2.12 0.02 2 708 . 63 GLU HG2 H 2.24 0.02 2 709 . 63 GLU HG3 H 2.11 0.02 2 710 . 63 GLU C C 174.84 0.20 1 711 . 63 GLU CA C 54.88 0.20 1 712 . 63 GLU CB C 33.84 0.20 1 713 . 63 GLU CG C 36.20 0.20 1 714 . 63 GLU N N 125.71 0.10 1 715 . 64 SER H H 8.83 0.02 1 716 . 64 SER HA H 4.75 0.02 1 717 . 64 SER HB2 H 4.01 0.02 1 718 . 64 SER HB3 H 4.01 0.02 1 719 . 64 SER C C 172.47 0.20 1 720 . 64 SER CA C 57.76 0.20 1 721 . 64 SER CB C 64.95 0.20 1 722 . 64 SER N N 113.42 0.10 1 723 . 65 ASN H H 8.53 0.02 1 724 . 65 ASN HA H 5.82 0.02 1 725 . 65 ASN HB2 H 2.61 0.02 1 726 . 65 ASN HB3 H 2.61 0.02 1 727 . 65 ASN HD21 H 7.06 0.02 1 728 . 65 ASN HD22 H 6.65 0.02 1 729 . 65 ASN C C 174.83 0.20 1 730 . 65 ASN CA C 52.69 0.20 1 731 . 65 ASN CB C 41.53 0.20 1 732 . 65 ASN N N 117.80 0.10 1 733 . 65 ASN ND2 N 110.94 0.10 1 734 . 66 ILE H H 9.36 0.02 1 735 . 66 ILE HA H 4.74 0.02 1 736 . 66 ILE HB H 1.77 0.02 1 737 . 66 ILE HG12 H 1.64 0.02 2 738 . 66 ILE HG13 H 1.14 0.02 2 739 . 66 ILE HG2 H 0.93 0.02 1 740 . 66 ILE HD1 H 0.94 0.02 1 741 . 66 ILE C C 172.77 0.20 1 742 . 66 ILE CA C 59.28 0.20 1 743 . 66 ILE CB C 42.38 0.20 1 744 . 66 ILE CG1 C 29.16 0.20 1 745 . 66 ILE CG2 C 14.42 0.20 1 746 . 66 ILE CD1 C 17.35 0.20 1 747 . 66 ILE N N 122.47 0.10 1 748 . 67 THR H H 8.46 0.02 1 749 . 67 THR HA H 5.20 0.02 1 750 . 67 THR HB H 4.02 0.02 1 751 . 67 THR HG2 H 1.13 0.02 1 752 . 67 THR C C 173.31 0.20 1 753 . 67 THR CA C 61.79 0.20 1 754 . 67 THR CB C 69.35 0.20 1 755 . 67 THR CG2 C 23.34 0.20 1 756 . 67 THR N N 122.82 0.10 1 757 . 68 MET H H 9.19 0.02 1 758 . 68 MET HA H 5.07 0.02 1 759 . 68 MET HB2 H 2.10 0.02 2 760 . 68 MET HB3 H 1.94 0.02 2 761 . 68 MET HG2 H 2.61 0.02 2 762 . 68 MET HG3 H 2.43 0.02 2 763 . 68 MET HE H 1.96 0.02 1 764 . 68 MET C C 174.48 0.20 1 765 . 68 MET CA C 54.33 0.20 1 766 . 68 MET CB C 37.41 0.20 1 767 . 68 MET CG C 33.95 0.20 1 768 . 68 MET CE C 19.48 0.20 1 769 . 68 MET N N 123.85 0.10 1 770 . 69 GLN H H 8.09 0.02 1 771 . 69 GLN HA H 4.83 0.02 1 772 . 69 GLN HB2 H 2.31 0.02 2 773 . 69 GLN HB3 H 1.84 0.02 2 774 . 69 GLN HG2 H 2.56 0.02 2 775 . 69 GLN HG3 H 2.18 0.02 2 776 . 69 GLN HE21 H 7.83 0.02 1 777 . 69 GLN HE22 H 6.84 0.02 1 778 . 69 GLN C C 173.05 0.20 1 779 . 69 GLN CA C 55.82 0.20 1 780 . 69 GLN CB C 29.58 0.20 1 781 . 69 GLN CG C 34.06 0.20 1 782 . 69 GLN N N 121.08 0.10 1 783 . 69 GLN NE2 N 111.89 0.10 1 784 . 70 ILE H H 8.26 0.02 1 785 . 70 ILE HA H 4.74 0.02 1 786 . 70 ILE HB H 1.80 0.02 1 787 . 70 ILE HG12 H 1.64 0.02 2 788 . 70 ILE HG13 H 1.51 0.02 2 789 . 70 ILE HG2 H 1.08 0.02 1 790 . 70 ILE HD1 H 0.88 0.02 1 791 . 70 ILE C C 176.13 0.20 1 792 . 70 ILE CA C 57.44 0.20 1 793 . 70 ILE CB C 41.66 0.20 1 794 . 70 ILE CG1 C 26.83 0.20 1 795 . 70 ILE CG2 C 18.51 0.20 1 796 . 70 ILE CD1 C 10.90 0.20 1 797 . 70 ILE N N 119.35 0.10 1 798 . 71 MET H H 9.05 0.02 1 799 . 71 MET HA H 4.69 0.02 1 800 . 71 MET HB2 H 2.38 0.02 1 801 . 71 MET HB3 H 2.38 0.02 1 802 . 71 MET HG2 H 2.36 0.02 2 803 . 71 MET HG3 H 2.30 0.02 2 804 . 71 MET HE H 1.62 0.02 1 805 . 71 MET C C 173.85 0.20 1 806 . 71 MET CA C 55.79 0.20 1 807 . 71 MET CB C 34.04 0.20 1 808 . 71 MET CG C 32.23 0.20 1 809 . 71 MET CE C 16.99 0.20 1 810 . 71 MET N N 127.24 0.10 1 811 . 72 ARG H H 8.82 0.02 1 812 . 72 ARG HA H 4.82 0.02 1 813 . 72 ARG HB2 H 1.32 0.02 1 814 . 72 ARG HB3 H 1.32 0.02 1 815 . 72 ARG HG2 H 1.33 0.02 2 816 . 72 ARG HG3 H 1.21 0.02 2 817 . 72 ARG HD2 H 2.70 0.02 2 818 . 72 ARG HD3 H 2.50 0.02 2 819 . 72 ARG C C 175.54 0.20 1 820 . 72 ARG CA C 54.65 0.20 1 821 . 72 ARG CB C 32.31 0.20 1 822 . 72 ARG CG C 27.29 0.20 1 823 . 72 ARG CD C 43.59 0.20 1 824 . 72 ARG N N 127.23 0.10 1 825 . 73 ILE H H 9.25 0.02 1 826 . 73 ILE HA H 4.54 0.02 1 827 . 73 ILE HB H 1.86 0.02 1 828 . 73 ILE HG12 H 1.42 0.02 2 829 . 73 ILE HG13 H 1.01 0.02 2 830 . 73 ILE HG2 H 0.81 0.02 1 831 . 73 ILE HD1 H 0.86 0.02 1 832 . 73 ILE C C 175.15 0.20 1 833 . 73 ILE CA C 60.79 0.20 1 834 . 73 ILE CB C 40.57 0.20 1 835 . 73 ILE CG1 C 28.22 0.20 1 836 . 73 ILE CG2 C 17.26 0.20 1 837 . 73 ILE CD1 C 14.72 0.20 1 838 . 73 ILE N N 125.70 0.10 1 839 . 74 LYS H H 8.35 0.02 1 840 . 74 LYS HA H 5.03 0.02 1 841 . 74 LYS HB2 H 1.88 0.02 1 842 . 74 LYS HB3 H 1.66 0.02 1 843 . 74 LYS HG2 H 1.50 0.02 1 844 . 74 LYS HG3 H 1.50 0.02 1 845 . 74 LYS HD2 H 1.32 0.02 1 846 . 74 LYS HD3 H 1.32 0.02 1 847 . 74 LYS HE2 H 2.74 0.02 1 848 . 74 LYS HE3 H 2.74 0.02 1 849 . 74 LYS C C 174.37 0.20 1 850 . 74 LYS CA C 52.76 0.20 1 851 . 74 LYS CB C 34.24 0.20 1 852 . 74 LYS CG C 29.10 0.20 1 853 . 74 LYS CD C 25.01 0.20 1 854 . 74 LYS CE C 41.83 0.20 1 855 . 74 LYS N N 128.46 0.10 1 856 . 75 PRO HA H 4.06 0.02 1 857 . 75 PRO HB2 H 2.10 0.02 2 858 . 75 PRO HB3 H 1.81 0.02 2 859 . 75 PRO HG2 H 2.16 0.02 2 860 . 75 PRO HG3 H 1.89 0.02 2 861 . 75 PRO HD2 H 4.02 0.02 2 862 . 75 PRO HD3 H 3.71 0.02 2 863 . 75 PRO C C 176.35 0.20 1 864 . 75 PRO CA C 64.47 0.20 1 865 . 75 PRO CB C 31.45 0.20 1 866 . 75 PRO CG C 27.52 0.20 1 867 . 75 PRO CD C 51.48 0.20 1 868 . 76 HIS H H 7.97 0.02 1 869 . 76 HIS HA H 4.30 0.02 1 870 . 76 HIS HB2 H 3.54 0.02 2 871 . 76 HIS HB3 H 3.34 0.02 2 872 . 76 HIS C C 175.05 0.20 1 873 . 76 HIS CA C 58.07 0.20 1 874 . 76 HIS CB C 28.60 0.20 1 875 . 76 HIS N N 121.02 0.10 1 876 . 77 GLN H H 8.32 0.02 1 877 . 77 GLN HA H 4.69 0.02 1 878 . 77 GLN HB2 H 2.27 0.02 2 879 . 77 GLN HB3 H 1.81 0.02 2 880 . 77 GLN HG2 H 2.39 0.02 2 881 . 77 GLN HG3 H 2.35 0.02 2 882 . 77 GLN HE21 H 7.48 0.02 1 883 . 77 GLN HE22 H 6.80 0.02 1 884 . 77 GLN C C 175.69 0.20 1 885 . 77 GLN CA C 56.28 0.20 1 886 . 77 GLN CB C 31.11 0.20 1 887 . 77 GLN CG C 34.06 0.20 1 888 . 77 GLN N N 118.62 0.10 1 889 . 77 GLN NE2 N 111.58 0.10 1 890 . 78 GLY H H 8.20 0.02 1 891 . 78 GLY HA2 H 3.99 0.02 2 892 . 78 GLY HA3 H 4.34 0.02 2 893 . 78 GLY C C 172.17 0.20 1 894 . 78 GLY CA C 45.53 0.20 1 895 . 78 GLY N N 107.89 0.10 1 896 . 79 GLN H H 8.25 0.02 1 897 . 79 GLN HA H 5.30 0.02 1 898 . 79 GLN HB2 H 2.10 0.02 2 899 . 79 GLN HB3 H 1.94 0.02 2 900 . 79 GLN HG2 H 2.34 0.02 2 901 . 79 GLN HG3 H 2.29 0.02 2 902 . 79 GLN HE21 H 7.17 0.02 1 903 . 79 GLN HE22 H 6.43 0.02 1 904 . 79 GLN C C 174.91 0.20 1 905 . 79 GLN CA C 54.08 0.20 1 906 . 79 GLN CB C 31.70 0.20 1 907 . 79 GLN CG C 32.27 0.20 1 908 . 79 GLN N N 116.83 0.10 1 909 . 79 GLN NE2 N 108.73 0.10 1 910 . 80 HIS H H 8.35 0.02 1 911 . 80 HIS HA H 4.82 0.02 1 912 . 80 HIS HB2 H 3.11 0.02 1 913 . 80 HIS HB3 H 3.11 0.02 1 914 . 80 HIS C C 173.58 0.20 1 915 . 80 HIS CA C 56.08 0.20 1 916 . 80 HIS CB C 33.04 0.20 1 917 . 80 HIS N N 118.35 0.10 1 918 . 81 ILE H H 8.52 0.02 1 919 . 81 ILE HA H 4.42 0.02 1 920 . 81 ILE HB H 1.64 0.02 1 921 . 81 ILE HG12 H 1.51 0.02 2 922 . 81 ILE HG13 H 0.52 0.02 2 923 . 81 ILE HG2 H 0.72 0.02 1 924 . 81 ILE HD1 H 0.46 0.02 1 925 . 81 ILE C C 175.47 0.20 1 926 . 81 ILE CA C 61.02 0.20 1 927 . 81 ILE CB C 37.71 0.20 1 928 . 81 ILE CG1 C 28.30 0.20 1 929 . 81 ILE CG2 C 17.99 0.20 1 930 . 81 ILE CD1 C 12.29 0.20 1 931 . 81 ILE N N 124.47 0.10 1 932 . 82 GLY H H 8.56 0.02 1 933 . 82 GLY HA2 H 3.68 0.02 2 934 . 82 GLY HA3 H 4.67 0.02 2 935 . 82 GLY C C 171.67 0.20 1 936 . 82 GLY CA C 43.88 0.20 1 937 . 82 GLY N N 115.94 0.10 1 938 . 83 GLU H H 8.22 0.02 1 939 . 83 GLU HA H 4.82 0.02 1 940 . 83 GLU HB2 H 1.90 0.02 2 941 . 83 GLU HB3 H 1.69 0.02 2 942 . 83 GLU HG2 H 2.32 0.02 2 943 . 83 GLU HG3 H 2.03 0.02 2 944 . 83 GLU C C 176.69 0.20 1 945 . 83 GLU CA C 55.84 0.20 1 946 . 83 GLU CB C 30.89 0.20 1 947 . 83 GLU CG C 37.20 0.20 1 948 . 83 GLU N N 118.62 0.10 1 949 . 84 MET H H 9.07 0.02 1 950 . 84 MET HA H 4.52 0.02 1 951 . 84 MET HB2 H 1.63 0.02 1 952 . 84 MET HB3 H 1.63 0.02 1 953 . 84 MET HG2 H 2.11 0.02 1 954 . 84 MET HG3 H 2.11 0.02 1 955 . 84 MET HE H 1.02 0.02 1 956 . 84 MET C C 173.66 0.20 1 957 . 84 MET CA C 55.17 0.20 1 958 . 84 MET CB C 37.77 0.20 1 959 . 84 MET CG C 32.23 0.20 1 960 . 84 MET CE C 15.69 0.20 1 961 . 84 MET N N 123.10 0.10 1 962 . 85 SER H H 7.92 0.02 1 963 . 85 SER HA H 5.48 0.02 1 964 . 85 SER HB2 H 3.71 0.02 2 965 . 85 SER HB3 H 3.64 0.02 2 966 . 85 SER C C 173.69 0.20 1 967 . 85 SER CA C 56.78 0.20 1 968 . 85 SER CB C 64.67 0.20 1 969 . 85 SER N N 116.42 0.10 1 970 . 86 PHE H H 9.26 0.02 1 971 . 86 PHE HA H 4.95 0.02 1 972 . 86 PHE HB2 H 3.08 0.02 1 973 . 86 PHE HB3 H 2.55 0.02 1 974 . 86 PHE HD1 H 7.23 0.02 1 975 . 86 PHE HD2 H 7.23 0.02 1 976 . 86 PHE HE1 H 7.06 0.02 1 977 . 86 PHE HE2 H 7.06 0.02 1 978 . 86 PHE HZ H 6.95 0.02 1 979 . 86 PHE C C 174.19 0.20 1 980 . 86 PHE CA C 56.44 0.20 1 981 . 86 PHE CB C 45.58 0.20 1 982 . 86 PHE CD1 C 132.56 0.20 1 983 . 86 PHE CD2 C 132.56 0.20 1 984 . 86 PHE CE1 C 130.41 0.20 1 985 . 86 PHE CE2 C 130.41 0.20 1 986 . 86 PHE CZ C 131.03 0.20 1 987 . 86 PHE N N 122.60 0.10 1 988 . 87 LEU H H 8.97 0.02 1 989 . 87 LEU HA H 4.88 0.02 1 990 . 87 LEU HB2 H 1.66 0.02 1 991 . 87 LEU HB3 H 1.66 0.02 1 992 . 87 LEU HG H 1.67 0.02 1 993 . 87 LEU HD1 H 1.00 0.02 2 994 . 87 LEU HD2 H 0.95 0.02 2 995 . 87 LEU C C 176.81 0.20 1 996 . 87 LEU CA C 54.92 0.20 1 997 . 87 LEU CB C 43.95 0.20 1 998 . 87 LEU CG C 27.00 0.20 1 999 . 87 LEU CD1 C 24.73 0.20 2 1000 . 87 LEU CD2 C 25.07 0.20 2 1001 . 87 LEU N N 122.97 0.10 1 1002 . 88 GLN H H 9.42 0.02 1 1003 . 88 GLN HA H 4.78 0.02 1 1004 . 88 GLN HB2 H 2.17 0.02 2 1005 . 88 GLN HB3 H 2.01 0.02 2 1006 . 88 GLN HG2 H 2.36 0.02 2 1007 . 88 GLN HG3 H 2.18 0.02 2 1008 . 88 GLN HE21 H 7.54 0.02 1 1009 . 88 GLN HE22 H 6.82 0.02 1 1010 . 88 GLN C C 173.88 0.20 1 1011 . 88 GLN CA C 54.35 0.20 1 1012 . 88 GLN CB C 32.58 0.20 1 1013 . 88 GLN CG C 34.73 0.20 1 1014 . 88 GLN N N 122.58 0.10 1 1015 . 88 GLN NE2 N 110.95 0.10 1 1016 . 89 HIS H H 8.48 0.02 1 1017 . 89 HIS HA H 5.23 0.02 1 1018 . 89 HIS HB2 H 3.05 0.02 1 1019 . 89 HIS HB3 H 2.92 0.02 1 1020 . 89 HIS C C 174.29 0.20 1 1021 . 89 HIS CA C 52.52 0.20 1 1022 . 89 HIS CB C 33.68 0.20 1 1023 . 89 HIS N N 120.68 0.10 1 1024 . 90 ASN H H 8.64 0.02 1 1025 . 90 ASN HA H 4.81 0.02 1 1026 . 90 ASN HB2 H 2.90 0.02 2 1027 . 90 ASN HB3 H 2.29 0.02 2 1028 . 90 ASN HD21 H 7.64 0.02 1 1029 . 90 ASN HD22 H 6.58 0.02 1 1030 . 90 ASN C C 174.88 0.20 1 1031 . 90 ASN CA C 53.96 0.20 1 1032 . 90 ASN CB C 40.38 0.20 1 1033 . 90 ASN N N 119.09 0.10 1 1034 . 90 ASN ND2 N 109.72 0.10 1 1035 . 91 LYS H H 7.59 0.02 1 1036 . 91 LYS HA H 4.45 0.02 1 1037 . 91 LYS HB2 H 1.80 0.02 2 1038 . 91 LYS HB3 H 1.70 0.02 2 1039 . 91 LYS HG2 H 1.42 0.02 1 1040 . 91 LYS HG3 H 1.42 0.02 1 1041 . 91 LYS HD2 H 1.72 0.02 2 1042 . 91 LYS HD3 H 1.63 0.02 2 1043 . 91 LYS HE2 H 3.01 0.02 1 1044 . 91 LYS HE3 H 3.01 0.02 1 1045 . 91 LYS C C 175.30 0.20 1 1046 . 91 LYS CA C 56.16 0.20 1 1047 . 91 LYS CB C 37.41 0.20 1 1048 . 91 LYS CG C 25.71 0.20 1 1049 . 91 LYS CD C 29.32 0.20 1 1050 . 91 LYS CE C 41.73 0.20 1 1051 . 91 LYS N N 117.61 0.10 1 1052 . 92 CYS H H 8.83 0.02 1 1053 . 92 CYS HA H 5.57 0.02 1 1054 . 92 CYS HB2 H 2.88 0.02 1 1055 . 92 CYS HB3 H 2.39 0.02 1 1056 . 92 CYS C C 173.25 0.20 1 1057 . 92 CYS CA C 54.13 0.20 1 1058 . 92 CYS CB C 48.37 0.20 1 1059 . 92 CYS N N 121.53 0.10 1 1060 . 93 GLU H H 9.39 0.02 1 1061 . 93 GLU HA H 4.62 0.02 1 1062 . 93 GLU HB2 H 2.00 0.02 2 1063 . 93 GLU HB3 H 1.86 0.02 2 1064 . 93 GLU HG2 H 2.24 0.02 2 1065 . 93 GLU HG3 H 2.16 0.02 2 1066 . 93 GLU C C 173.60 0.20 1 1067 . 93 GLU CA C 55.11 0.20 1 1068 . 93 GLU CB C 34.62 0.20 1 1069 . 93 GLU CG C 36.38 0.20 1 1070 . 93 GLU N N 121.41 0.10 1 1071 . 94 CYS H H 8.21 0.02 1 1072 . 94 CYS HA H 5.31 0.02 1 1073 . 94 CYS HB2 H 3.10 0.02 1 1074 . 94 CYS HB3 H 2.71 0.02 1 1075 . 94 CYS C C 174.09 0.20 1 1076 . 94 CYS CA C 57.21 0.20 1 1077 . 94 CYS CB C 46.07 0.20 1 1078 . 94 CYS N N 120.40 0.10 1 1079 . 95 ARG H H 9.18 0.02 1 1080 . 95 ARG HA H 5.00 0.02 1 1081 . 95 ARG HB2 H 1.89 0.02 2 1082 . 95 ARG HB3 H 1.75 0.02 2 1083 . 95 ARG HG2 H 1.65 0.02 1 1084 . 95 ARG HG3 H 1.65 0.02 1 1085 . 95 ARG HD2 H 3.21 0.02 2 1086 . 95 ARG HD3 H 3.15 0.02 2 1087 . 95 ARG C C 173.49 0.20 1 1088 . 95 ARG CA C 52.83 0.20 1 1089 . 95 ARG CB C 32.82 0.20 1 1090 . 95 ARG CG C 26.91 0.20 1 1091 . 95 ARG CD C 42.98 0.20 1 1092 . 95 ARG N N 123.89 0.10 1 1093 . 96 PRO HA H 4.63 0.02 1 1094 . 96 PRO HB2 H 2.36 0.02 2 1095 . 96 PRO HB3 H 1.91 0.02 2 1096 . 96 PRO HG2 H 2.18 0.02 2 1097 . 96 PRO HG3 H 1.93 0.02 2 1098 . 96 PRO HD2 H 3.81 0.02 2 1099 . 96 PRO HD3 H 3.66 0.02 2 1100 . 96 PRO C C 177.04 0.20 1 1101 . 96 PRO CA C 63.67 0.20 1 1102 . 96 PRO CB C 31.95 0.20 1 1103 . 96 PRO CG C 27.81 0.20 1 1104 . 96 PRO CD C 50.71 0.20 1 1105 . 97 LYS H H 8.14 0.02 1 1106 . 97 LYS HA H 4.14 0.02 1 1107 . 97 LYS HB2 H 1.84 0.02 2 1108 . 97 LYS HB3 H 1.63 0.02 2 1109 . 97 LYS HG2 H 1.37 0.02 2 1110 . 97 LYS HG3 H 1.32 0.02 2 1111 . 97 LYS HD2 H 1.69 0.02 1 1112 . 97 LYS HD3 H 1.69 0.02 1 1113 . 97 LYS HE2 H 2.99 0.02 1 1114 . 97 LYS HE3 H 2.99 0.02 1 1115 . 97 LYS C C 176.36 0.20 1 1116 . 97 LYS CA C 57.11 0.20 1 1117 . 97 LYS CB C 33.55 0.20 1 1118 . 97 LYS CG C 25.68 0.20 1 1119 . 97 LYS CD C 29.36 0.20 1 1120 . 97 LYS CE C 41.91 0.20 1 1121 . 97 LYS N N 123.92 0.10 1 1122 . 98 LYS H H 8.39 0.02 1 1123 . 98 LYS HA H 4.39 0.02 1 1124 . 98 LYS HB2 H 1.90 0.02 2 1125 . 98 LYS HB3 H 1.79 0.02 2 1126 . 98 LYS HG2 H 1.53 0.02 2 1127 . 98 LYS HG3 H 1.48 0.02 2 1128 . 98 LYS HD2 H 1.73 0.02 1 1129 . 98 LYS HD3 H 1.73 0.02 1 1130 . 98 LYS HE2 H 3.06 0.02 1 1131 . 98 LYS HE3 H 3.06 0.02 1 1132 . 98 LYS C C 175.16 0.20 1 1133 . 98 LYS CA C 56.23 0.20 1 1134 . 98 LYS CB C 33.26 0.20 1 1135 . 98 LYS CG C 24.73 0.20 1 1136 . 98 LYS CD C 28.99 0.20 1 1137 . 98 LYS CE C 42.12 0.20 1 1138 . 98 LYS N N 123.20 0.10 1 1139 . 99 ASP H H 7.83 0.02 1 1140 . 99 ASP HA H 4.39 0.02 1 1141 . 99 ASP HB2 H 2.69 0.02 2 1142 . 99 ASP HB3 H 2.58 0.02 2 1143 . 99 ASP C C 180.72 0.20 1 1144 . 99 ASP CA C 55.90 0.20 1 1145 . 99 ASP CB C 42.45 0.20 1 1146 . 99 ASP N N 127.09 0.10 1 stop_ save_