data_4843 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Secondary Structure and Backbone Resonance Assignments for Human Interleukin-13 ; _BMRB_accession_number 4843 _BMRB_flat_file_name bmr4843.str _Entry_type original _Submission_date 2000-09-28 _Accession_date 2000-09-28 _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 Eisenmesser Elan Z. . 2 Horita David A. . 3 Byrd R. Andrew . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 572 "13C chemical shifts" 452 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-02-14 original author . stop_ _Original_release_date 2001-02-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Secondary Structure and Backbone Resonance Assignments for Human Interleukin-13 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eisenmesser Elan Z. . 2 Horita David A. . 3 Byrd R. Andrew . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 19 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 93 _Page_last 94 _Year 2000 _Details . loop_ _Keyword hIL-13 Interleukin-13 four-helix-bundle 4-helix cytokine stop_ save_ ################################## # Molecular system description # ################################## save_system_IL-13 _Saveframe_category molecular_system _Mol_system_name Interleukin-13 _Abbreviation_common IL-13 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IL-13 $IL-13 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IL-13 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Interleukin-13 _Abbreviation_common IL-13 _Molecular_mass 12404 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GGPVPPSTALRELIEELVNI TQNQKAPLCNGSMVWSINLT AGMYCAALESLINVSGCSAI EKTQRMLSGFCPHKVSAGQF SSLHVRDTKIEVAQFVKDLL LHLKKLFREGRFN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLY 3 PRO 4 VAL 5 PRO 6 PRO 7 SER 8 THR 9 ALA 10 LEU 11 ARG 12 GLU 13 LEU 14 ILE 15 GLU 16 GLU 17 LEU 18 VAL 19 ASN 20 ILE 21 THR 22 GLN 23 ASN 24 GLN 25 LYS 26 ALA 27 PRO 28 LEU 29 CYS 30 ASN 31 GLY 32 SER 33 MET 34 VAL 35 TRP 36 SER 37 ILE 38 ASN 39 LEU 40 THR 41 ALA 42 GLY 43 MET 44 TYR 45 CYS 46 ALA 47 ALA 48 LEU 49 GLU 50 SER 51 LEU 52 ILE 53 ASN 54 VAL 55 SER 56 GLY 57 CYS 58 SER 59 ALA 60 ILE 61 GLU 62 LYS 63 THR 64 GLN 65 ARG 66 MET 67 LEU 68 SER 69 GLY 70 PHE 71 CYS 72 PRO 73 HIS 74 LYS 75 VAL 76 SER 77 ALA 78 GLY 79 GLN 80 PHE 81 SER 82 SER 83 LEU 84 HIS 85 VAL 86 ARG 87 ASP 88 THR 89 LYS 90 ILE 91 GLU 92 VAL 93 ALA 94 GLN 95 PHE 96 VAL 97 LYS 98 ASP 99 LEU 100 LEU 101 LEU 102 HIS 103 LEU 104 LYS 105 LYS 106 LEU 107 PHE 108 ARG 109 GLU 110 GLY 111 ARG 112 PHE 113 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 5004 IL-13 99.12 113 100.00 100.00 3.14e-76 PDB 1GA3 "Nmr Structure Of Interleukin-13" 100.00 113 100.00 100.00 4.50e-77 PDB 1IJZ "Solution Structure Of Human Il-13" 99.12 113 100.00 100.00 3.14e-76 PDB 1IK0 "Solution Structure Of Human Il-13" 99.12 113 100.00 100.00 3.14e-76 PDB 3BPO "Crystal Structure Of The Il13-Il4r-Il13ra Ternary Complex" 100.00 127 98.23 99.12 2.09e-73 PDB 3G6D "Crystal Structure Of The Complex Between Cnto607 Fab And Il-13" 99.12 113 100.00 100.00 3.14e-76 PDB 3L5W "Crystal Structure Of The Complex Between Il-13 And C836 Fab" 99.12 113 100.00 100.00 3.14e-76 PDB 3L5X "Crystal Structure Of The Complex Between Il-13 And H2l6 Fab" 99.12 113 100.00 100.00 3.14e-76 PDB 3LB6 "The Structure Of Il-13 In Complex With Il-13ralpha2" 99.12 132 100.00 100.00 2.83e-76 PDB 4I77 "Lebrikizumab Fab Bound To Il-13" 99.12 112 100.00 100.00 2.85e-76 PDB 4PS4 "Crystal Structure Of The Complex Between Il-13 And M1295 Fab" 99.12 113 100.00 100.00 3.14e-76 DBJ BAG73312 "interleukin 13 [synthetic construct]" 99.12 146 99.11 100.00 2.50e-75 EMBL CAA48823 "NC30 [Homo sapiens]" 99.12 146 100.00 100.00 5.13e-76 EMBL CAA48824 "NC30 [Homo sapiens]" 99.12 132 100.00 100.00 2.83e-76 GB AAA36107 "interleukin 13 [Homo sapiens]" 99.12 132 100.00 100.00 2.83e-76 GB AAA83738 "interleukin 13 [Homo sapiens]" 99.12 131 98.21 98.21 1.33e-72 GB AAB01681 "interleukin-13 precursor [Homo sapiens]" 99.12 132 100.00 100.00 2.83e-76 GB AAC03535 "interleukin 13 precursor [Homo sapiens]" 99.12 132 99.11 99.11 1.95e-75 GB AAH96138 "IL13 protein [Homo sapiens]" 71.68 81 98.77 100.00 2.81e-51 PRF 1909326A "interleukin 13" 99.12 146 100.00 100.00 5.13e-76 REF NP_001008992 "interleukin-13 precursor [Pan troglodytes]" 99.12 132 99.11 100.00 1.75e-75 REF NP_002179 "interleukin-13 precursor [Homo sapiens]" 99.12 146 99.11 100.00 2.50e-75 REF XP_002815912 "PREDICTED: interleukin-13 isoform X1 [Pongo abelii]" 99.12 146 98.21 100.00 4.65e-75 REF XP_003829348 "PREDICTED: interleukin-13 isoform X1 [Pan paniscus]" 99.12 146 99.11 100.00 2.58e-75 REF XP_003829349 "PREDICTED: interleukin-13 isoform X2 [Pan paniscus]" 99.12 121 99.11 100.00 1.42e-75 SP P35225 "RecName: Full=Interleukin-13; Short=IL-13; Flags: Precursor [Homo sapiens]" 99.12 146 100.00 100.00 5.13e-76 SP P61126 "RecName: Full=Interleukin-13; Short=IL-13; Flags: Precursor [Pan troglodytes]" 99.12 132 99.11 100.00 1.75e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $IL-13 human 9606 Eukaryota Metazoa Homo sapiens 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 _Details $IL-13 'recombinant technology' . . . . . ; Intracellulcar Processing using an MPB-IL-13 protein cleaved in vivo by the tovacco etch virus protease ; 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $IL-13 1.0 mM 0.7 1.3 '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Inova Unity' _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Inova Unity' _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 0.2 n/a temperature 298 1 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 . . . . 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 $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name IL-13 _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 GLY CA C 44.94 0.30 1 2 . 1 GLY C C 174.48 0.30 1 3 . 2 GLY N N 107.84 0.30 1 4 . 2 GLY H H 8.19 0.05 1 5 . 2 GLY CA C 44.49 0.30 1 6 . 2 GLY HA2 H 4.21 0.05 1 7 . 2 GLY HA3 H 4.15 0.05 1 8 . 3 PRO CA C 63.12 0.30 1 9 . 3 PRO HA H 4.49 0.05 1 10 . 3 PRO C C 176.96 0.30 1 11 . 3 PRO CB C 32.15 0.30 1 12 . 3 PRO HB3 H 2.27 0.05 1 13 . 3 PRO HB2 H 1.92 0.05 1 14 . 3 PRO CG C 27.24 0.30 1 15 . 3 PRO CD C 49.90 0.30 1 16 . 3 PRO HG3 H 2.03 0.05 1 17 . 3 PRO HG2 H 2.03 0.05 1 18 . 3 PRO HD3 H 3.65 0.05 1 19 . 3 PRO HD2 H 3.65 0.05 1 20 . 4 VAL N N 120.72 0.30 1 21 . 4 VAL H H 8.29 0.05 1 22 . 4 VAL CA C 59.83 0.30 1 23 . 4 VAL HA H 4.46 0.05 1 24 . 4 VAL CB C 32.66 0.30 1 25 . 4 VAL CG1 C 21.01 0.30 1 26 . 4 VAL HG1 H 1.01 0.05 1 27 . 4 VAL CG2 C 20.48 0.30 1 28 . 4 VAL HG2 H 0.97 0.05 1 29 . 5 PRO CA C 61.81 0.30 1 30 . 5 PRO HA H 4.68 0.05 1 31 . 5 PRO CB C 31.25 0.30 1 32 . 5 PRO HB3 H 2.31 0.05 1 33 . 5 PRO HB2 H 1.82 0.05 1 34 . 5 PRO CG C 27.57 0.30 1 35 . 5 PRO CD C 51.14 0.30 1 36 . 5 PRO HD3 H 3.93 0.05 1 37 . 5 PRO HD2 H 3.63 0.05 1 38 . 5 PRO HG3 H 1.94 0.05 1 39 . 5 PRO HG2 H 1.94 0.05 1 40 . 6 PRO CA C 64.06 0.30 1 41 . 6 PRO HA H 4.44 0.05 1 42 . 6 PRO C C 177.50 0.30 1 43 . 6 PRO CB C 32.13 0.30 1 44 . 6 PRO HB3 H 2.33 0.05 1 45 . 6 PRO HB2 H 1.93 0.05 1 46 . 6 PRO CG C 27.61 0.30 1 47 . 6 PRO CD C 50.76 0.30 1 48 . 6 PRO HD3 H 3.85 0.05 1 49 . 6 PRO HD2 H 3.71 0.05 1 50 . 6 PRO HG3 H 2.05 0.05 1 51 . 6 PRO HG2 H 2.05 0.05 1 52 . 7 SER N N 112.07 0.30 1 53 . 7 SER H H 8.16 0.05 1 54 . 7 SER CA C 59.98 0.30 1 55 . 7 SER HA H 3.97 0.05 1 56 . 7 SER C C 175.94 0.30 1 57 . 7 SER CB C 62.88 0.30 1 58 . 7 SER HB3 H 3.80 0.05 1 59 . 7 SER HB2 H 3.33 0.05 1 60 . 8 THR N N 116.86 0.30 1 61 . 8 THR H H 7.76 0.05 1 62 . 8 THR CA C 65.83 0.30 1 63 . 8 THR HA H 4.00 0.05 1 64 . 8 THR C C 175.23 0.30 1 65 . 8 THR CB C 68.87 0.30 1 66 . 8 THR CG2 C 21.94 0.30 1 67 . 8 THR HG2 H 1.24 0.05 1 68 . 9 ALA N N 122.74 0.30 1 69 . 9 ALA H H 8.04 0.05 1 70 . 9 ALA CA C 55.23 0.30 1 71 . 9 ALA HA H 4.21 0.05 1 72 . 9 ALA C C 180.80 0.30 1 73 . 9 ALA CB C 18.36 0.30 1 74 . 9 ALA HB H 1.36 0.05 1 75 . 10 LEU N N 119.10 0.30 1 76 . 10 LEU H H 8.62 0.05 1 77 . 10 LEU CA C 57.99 0.30 1 78 . 10 LEU HA H 4.40 0.05 1 79 . 10 LEU C C 177.87 0.30 1 80 . 10 LEU CB C 41.61 0.30 1 81 . 10 LEU HB3 H 2.03 0.05 1 82 . 10 LEU HB2 H 1.87 0.05 1 83 . 10 LEU CD1 C 24.35 0.30 1 84 . 10 LEU HD1 H 1.14 0.05 1 85 . 10 LEU CD2 C 26.22 0.30 1 86 . 10 LEU HD2 H 1.12 0.05 1 87 . 11 ARG N N 118.55 0.30 1 88 . 11 ARG H H 8.23 0.05 1 89 . 11 ARG CA C 60.06 0.30 1 90 . 11 ARG HA H 3.57 0.05 1 91 . 11 ARG C C 178.53 0.30 1 92 . 11 ARG CB C 29.74 0.30 1 93 . 11 ARG HB3 H 2.01 0.05 1 94 . 11 ARG HB2 H 1.96 0.05 1 95 . 11 ARG CG C 27.28 0.30 1 96 . 11 ARG CD C 43.19 0.30 1 97 . 11 ARG HG3 H 1.53 0.05 1 98 . 11 ARG HG2 H 1.53 0.05 1 99 . 11 ARG HD3 H 3.19 0.05 1 100 . 11 ARG HD2 H 3.19 0.05 1 101 . 12 GLU N N 116.01 0.30 1 102 . 12 GLU H H 8.35 0.05 1 103 . 12 GLU CA C 59.76 0.30 1 104 . 12 GLU HA H 3.97 0.05 1 105 . 12 GLU C C 179.30 0.30 1 106 . 12 GLU CB C 29.55 0.30 1 107 . 12 GLU HB3 H 2.14 0.05 1 108 . 12 GLU HB2 H 2.02 0.05 1 109 . 12 GLU CG C 37.28 0.30 1 110 . 12 GLU HG3 H 2.58 0.05 1 111 . 12 GLU HG2 H 2.26 0.05 1 112 . 13 LEU N N 121.92 0.30 1 113 . 13 LEU H H 7.90 0.05 1 114 . 13 LEU CA C 58.25 0.30 1 115 . 13 LEU HA H 4.55 0.05 1 116 . 13 LEU C C 177.75 0.30 1 117 . 13 LEU CB C 41.42 0.30 1 118 . 13 LEU HB3 H 2.23 0.05 1 119 . 13 LEU HB2 H 1.75 0.05 1 120 . 13 LEU CG C 27.69 0.30 1 121 . 13 LEU HG H 1.53 0.05 1 122 . 13 LEU CD1 C 23.67 0.30 1 123 . 13 LEU HD1 H 1.07 0.05 1 124 . 13 LEU CD2 C 27.89 0.30 1 125 . 13 LEU HD2 H 0.81 0.05 1 126 . 14 ILE N N 118.61 0.30 1 127 . 14 ILE H H 8.43 0.05 1 128 . 14 ILE CA C 66.92 0.30 1 129 . 14 ILE HA H 3.37 0.05 1 130 . 14 ILE C C 177.21 0.30 1 131 . 14 ILE CB C 38.03 0.30 1 132 . 14 ILE CG1 C 31.67 0.30 1 133 . 14 ILE CG2 C 16.63 0.30 1 134 . 14 ILE HG2 H 0.74 0.05 1 135 . 14 ILE CD1 C 14.10 0.30 1 136 . 14 ILE HD1 H 0.61 0.05 1 137 . 15 GLU N N 115.52 0.30 1 138 . 15 GLU H H 8.26 0.05 1 139 . 15 GLU CA C 59.68 0.30 1 140 . 15 GLU HA H 3.85 0.05 1 141 . 15 GLU C C 179.05 0.30 1 142 . 15 GLU CB C 29.28 0.30 1 143 . 15 GLU CG C 36.85 0.30 1 144 . 15 GLU HG3 H 2.47 0.05 1 145 . 15 GLU HG2 H 2.26 0.05 1 146 . 15 GLU HB3 H 2.06 0.05 1 147 . 15 GLU HB2 H 2.06 0.05 1 148 . 16 GLU N N 120.67 0.30 1 149 . 16 GLU H H 7.83 0.05 1 150 . 16 GLU CA C 58.30 0.30 1 151 . 16 GLU HA H 4.66 0.05 1 152 . 16 GLU C C 177.84 0.30 1 153 . 16 GLU CB C 28.89 0.30 1 154 . 16 GLU HB3 H 2.10 0.05 1 155 . 16 GLU HB2 H 1.99 0.05 1 156 . 16 GLU CG C 34.30 0.30 1 157 . 16 GLU HG3 H 2.27 0.05 1 158 . 16 GLU HG2 H 2.27 0.05 1 159 . 17 LEU N N 117.71 0.30 1 160 . 17 LEU H H 8.31 0.05 1 161 . 17 LEU CA C 57.86 0.30 1 162 . 17 LEU HA H 4.12 0.05 1 163 . 17 LEU C C 180.57 0.30 1 164 . 17 LEU CB C 42.07 0.30 1 165 . 17 LEU HB3 H 2.24 0.05 1 166 . 17 LEU HB2 H 1.26 0.05 1 167 . 17 LEU CG C 26.42 0.30 1 168 . 17 LEU HG H 2.16 0.05 1 169 . 17 LEU CD1 C 27.43 0.30 1 170 . 17 LEU HD1 H 0.81 0.05 1 171 . 17 LEU CD2 C 23.43 0.30 1 172 . 17 LEU HD2 H 0.96 0.05 1 173 . 18 VAL N N 120.59 0.30 1 174 . 18 VAL H H 8.78 0.05 1 175 . 18 VAL CA C 67.11 0.30 1 176 . 18 VAL HA H 3.37 0.05 1 177 . 18 VAL C C 178.03 0.30 1 178 . 18 VAL CB C 31.71 0.30 1 179 . 18 VAL CG1 C 23.70 0.30 1 180 . 18 VAL HG1 H 1.06 0.05 1 181 . 18 VAL CG2 C 21.23 0.30 1 182 . 18 VAL HG2 H 0.87 0.05 1 183 . 19 ASN N N 117.46 0.30 1 184 . 19 ASN H H 8.05 0.05 1 185 . 19 ASN CA C 56.73 0.30 1 186 . 19 ASN HA H 4.46 0.05 1 187 . 19 ASN C C 178.82 0.30 1 188 . 19 ASN CB C 38.60 0.30 1 189 . 19 ASN ND2 N 111.79 0.30 1 190 . 19 ASN HD21 H 7.53 0.05 1 191 . 19 ASN HD22 H 6.95 0.05 1 192 . 19 ASN HB3 H 3.10 0.05 1 193 . 19 ASN HB2 H 3.10 0.05 1 194 . 20 ILE N N 110.19 0.30 1 195 . 20 ILE H H 8.20 0.05 1 196 . 20 ILE CA C 64.32 0.30 1 197 . 20 ILE HA H 4.35 0.05 1 198 . 20 ILE C C 176.97 0.30 1 199 . 20 ILE CB C 38.18 0.30 1 200 . 20 ILE CG1 C 26.15 0.30 1 201 . 20 ILE CG2 C 18.20 0.30 1 202 . 20 ILE HG2 H 1.15 0.05 1 203 . 20 ILE CD1 C 14.86 0.30 1 204 . 20 ILE HD1 H 0.99 0.05 1 205 . 21 THR N N 107.86 0.30 1 206 . 21 THR H H 7.58 0.05 1 207 . 21 THR CA C 62.63 0.30 1 208 . 21 THR HA H 4.47 0.05 1 209 . 21 THR C C 175.96 0.30 1 210 . 21 THR CB C 70.20 0.30 1 211 . 21 THR CG2 C 22.82 0.30 1 212 . 21 THR HG2 H 1.28 0.05 1 213 . 22 GLN N N 119.51 0.30 1 214 . 22 GLN H H 7.95 0.05 1 215 . 22 GLN CA C 57.18 0.30 1 216 . 22 GLN HA H 4.37 0.05 1 217 . 22 GLN C C 176.40 0.30 1 218 . 22 GLN CB C 29.60 0.30 1 219 . 22 GLN CG C 33.96 0.30 1 220 . 22 GLN HB3 H 2.13 0.05 1 221 . 22 GLN HB2 H 2.13 0.05 1 222 . 22 GLN HG3 H 2.50 0.05 1 223 . 22 GLN HG2 H 2.50 0.05 1 224 . 23 ASN N N 116.00 0.30 1 225 . 23 ASN H H 8.27 0.05 1 226 . 23 ASN CA C 53.63 0.30 1 227 . 23 ASN HA H 4.74 0.05 1 228 . 23 ASN CB C 38.45 0.30 1 229 . 23 ASN HB3 H 3.00 0.05 1 230 . 23 ASN HB2 H 2.87 0.05 1 231 . 23 ASN ND2 N 112.26 0.30 1 232 . 23 ASN HD21 H 7.75 0.05 1 233 . 23 ASN HD22 H 7.00 0.05 1 234 . 24 GLN N N 118.71 0.30 1 235 . 24 GLN H H 8.14 0.05 1 236 . 24 GLN CA C 55.68 0.30 1 237 . 24 GLN HA H 4.39 0.05 1 238 . 24 GLN C C 176.44 0.30 1 239 . 24 GLN CB C 29.41 0.30 1 240 . 24 GLN HB3 H 2.24 0.05 1 241 . 24 GLN HB2 H 2.01 0.05 1 242 . 24 GLN CG C 33.85 0.30 1 243 . 24 GLN HG3 H 2.40 0.05 1 244 . 24 GLN HG2 H 2.35 0.05 1 245 . 25 LYS N N 120.91 0.30 1 246 . 25 LYS H H 8.49 0.05 1 247 . 25 LYS CA C 56.93 0.30 1 248 . 25 LYS HA H 4.28 0.05 1 249 . 25 LYS C C 175.88 0.30 1 250 . 25 LYS CB C 32.82 0.30 1 251 . 25 LYS HB3 H 1.95 0.05 1 252 . 25 LYS HB2 H 1.82 0.05 1 253 . 25 LYS CG C 24.93 0.30 1 254 . 25 LYS HG3 H 1.50 0.05 1 255 . 25 LYS HG2 H 1.44 0.05 1 256 . 25 LYS CD C 28.80 0.30 1 257 . 25 LYS HD3 H 1.71 0.05 1 258 . 25 LYS HD2 H 1.71 0.05 1 259 . 26 ALA N N 121.34 0.30 1 260 . 26 ALA H H 7.73 0.05 1 261 . 26 ALA CA C 49.97 0.30 1 262 . 26 ALA HA H 4.71 0.05 1 263 . 26 ALA CB C 19.08 0.30 1 264 . 26 ALA HB H 1.38 0.05 1 265 . 27 PRO CA C 63.16 0.30 1 266 . 27 PRO HA H 4.34 0.05 1 267 . 27 PRO C C 177.62 0.30 1 268 . 27 PRO CB C 32.50 0.30 1 269 . 27 PRO HB3 H 2.33 0.05 1 270 . 27 PRO HB2 H 1.70 0.05 1 271 . 27 PRO CG C 27.88 0.30 1 272 . 27 PRO HG3 H 2.08 0.05 1 273 . 27 PRO HG2 H 2.02 0.05 1 274 . 27 PRO CD C 50.59 0.30 1 275 . 27 PRO HD3 H 3.81 0.05 1 276 . 27 PRO HD2 H 3.61 0.05 1 277 . 28 LEU N N 124.75 0.30 1 278 . 28 LEU H H 8.38 0.05 1 279 . 28 LEU CA C 55.80 0.30 1 280 . 28 LEU HA H 4.25 0.05 1 281 . 28 LEU C C 177.73 0.30 1 282 . 28 LEU CB C 42.86 0.30 1 283 . 28 LEU CG C 27.03 0.30 1 284 . 28 LEU HG H 1.71 0.05 1 285 . 28 LEU CD1 C 24.36 0.30 1 286 . 28 LEU HD1 H 0.93 0.05 1 287 . 28 LEU CD2 C 26.25 0.30 1 288 . 28 LEU HD2 H 0.83 0.05 1 289 . 28 LEU HB3 H 1.60 0.05 1 290 . 28 LEU HB2 H 1.60 0.05 1 291 . 29 CYS N N 119.64 0.30 1 292 . 29 CYS H H 9.70 0.05 1 293 . 29 CYS CA C 53.28 0.30 1 294 . 29 CYS HA H 4.59 0.05 1 295 . 29 CYS C C 175.47 0.30 1 296 . 29 CYS CB C 34.19 0.30 1 297 . 29 CYS HB3 H 3.53 0.05 1 298 . 29 CYS HB2 H 2.91 0.05 1 299 . 30 ASN N N 113.95 0.30 1 300 . 30 ASN H H 8.38 0.05 1 301 . 30 ASN CA C 55.05 0.30 1 302 . 30 ASN HA H 4.33 0.05 1 303 . 30 ASN C C 175.86 0.30 1 304 . 30 ASN CB C 38.20 0.30 1 305 . 30 ASN HB3 H 3.06 0.05 1 306 . 30 ASN HB2 H 2.81 0.05 1 307 . 30 ASN ND2 N 111.89 0.30 1 308 . 30 ASN HD21 H 7.70 0.05 1 309 . 30 ASN HD22 H 6.98 0.05 1 310 . 31 GLY N N 107.49 0.30 1 311 . 31 GLY H H 8.19 0.05 1 312 . 31 GLY CA C 45.83 0.30 1 313 . 31 GLY HA2 H 4.18 0.05 1 314 . 31 GLY HA3 H 3.91 0.05 1 315 . 31 GLY C C 174.76 0.30 1 316 . 32 SER N N 114.31 0.30 1 317 . 32 SER H H 7.67 0.05 1 318 . 32 SER CA C 60.45 0.30 1 319 . 32 SER HA H 4.37 0.05 1 320 . 32 SER C C 172.42 0.30 1 321 . 32 SER CB C 64.27 0.30 1 322 . 32 SER HB3 H 3.82 0.05 1 323 . 32 SER HB2 H 3.82 0.05 1 324 . 33 MET N N 120.39 0.30 1 325 . 33 MET H H 8.42 0.05 1 326 . 33 MET CA C 53.54 0.30 1 327 . 33 MET HA H 5.08 0.05 1 328 . 33 MET C C 176.19 0.30 1 329 . 33 MET CB C 34.58 0.30 1 330 . 33 MET HB3 H 1.79 0.05 1 331 . 33 MET HB2 H 1.53 0.05 1 332 . 33 MET CG C 32.27 0.30 1 333 . 33 MET HG3 H 2.61 0.05 1 334 . 33 MET HG2 H 2.39 0.05 1 335 . 34 VAL N N 113.52 0.30 1 336 . 34 VAL H H 9.24 0.05 1 337 . 34 VAL CA C 58.10 0.30 1 338 . 34 VAL HA H 4.45 0.05 1 339 . 34 VAL C C 174.60 0.30 1 340 . 34 VAL CB C 35.02 0.30 1 341 . 34 VAL CG1 C 23.76 0.30 1 342 . 34 VAL HG1 H 0.49 0.05 1 343 . 34 VAL CG2 C 18.64 0.30 1 344 . 34 VAL HG2 H 0.25 0.05 1 345 . 35 TRP N N 118.78 0.30 1 346 . 35 TRP H H 7.90 0.05 1 347 . 35 TRP CA C 57.74 0.30 1 348 . 35 TRP HA H 4.83 0.05 1 349 . 35 TRP C C 177.23 0.30 1 350 . 35 TRP CB C 29.94 0.30 1 351 . 35 TRP HB3 H 3.30 0.05 1 352 . 35 TRP HB2 H 2.97 0.05 1 353 . 35 TRP CD1 C 127.63 0.30 1 354 . 35 TRP HD1 H 7.21 0.05 1 355 . 36 SER N N 115.81 0.30 1 356 . 36 SER H H 8.78 0.05 1 357 . 36 SER CA C 58.74 0.30 1 358 . 36 SER HA H 4.55 0.05 1 359 . 36 SER C C 173.83 0.30 1 360 . 36 SER CB C 64.19 0.30 1 361 . 36 SER HB3 H 4.03 0.05 1 362 . 36 SER HB2 H 3.96 0.05 1 363 . 37 ILE N N 113.74 0.30 1 364 . 37 ILE H H 8.36 0.05 1 365 . 37 ILE CA C 59.50 0.30 1 366 . 37 ILE HA H 4.76 0.05 1 367 . 37 ILE C C 174.97 0.30 1 368 . 37 ILE CB C 41.55 0.30 1 369 . 37 ILE CG1 C 25.83 0.30 1 370 . 37 ILE CG2 C 18.50 0.30 1 371 . 37 ILE HG2 H 0.96 0.05 1 372 . 37 ILE CD1 C 14.51 0.30 1 373 . 37 ILE HD1 H 0.75 0.05 1 374 . 38 ASN N N 119.71 0.30 1 375 . 38 ASN H H 8.46 0.05 1 376 . 38 ASN CA C 52.40 0.30 1 377 . 38 ASN HA H 4.70 0.05 1 378 . 38 ASN C C 175.23 0.30 1 379 . 38 ASN CB C 38.94 0.30 1 380 . 38 ASN HB3 H 2.77 0.05 1 381 . 38 ASN HB2 H 2.68 0.05 1 382 . 38 ASN ND2 N 111.81 0.30 1 383 . 38 ASN HD21 H 7.65 0.05 1 384 . 38 ASN HD22 H 6.96 0.05 1 385 . 39 LEU N N 124.63 0.30 1 386 . 39 LEU H H 8.46 0.05 1 387 . 39 LEU CA C 55.15 0.30 1 388 . 39 LEU HA H 3.97 0.05 1 389 . 39 LEU C C 175.98 0.30 1 390 . 39 LEU CB C 39.90 0.30 1 391 . 39 LEU HB3 H 0.59 0.05 1 392 . 39 LEU HB2 H 1.31 0.05 1 393 . 39 LEU CG C 26.37 0.30 1 394 . 39 LEU HG H 1.43 0.05 1 395 . 39 LEU CD1 C 25.56 0.30 1 396 . 39 LEU HD1 H 0.66 0.05 1 397 . 39 LEU CD2 C 23.58 0.30 1 398 . 39 LEU HD2 H 0.52 0.05 1 399 . 40 THR N N 112.39 0.30 1 400 . 40 THR H H 7.45 0.05 1 401 . 40 THR CA C 61.29 0.30 1 402 . 40 THR HA H 4.37 0.05 1 403 . 40 THR C C 174.39 0.30 1 404 . 40 THR CB C 70.20 0.30 1 405 . 40 THR CG2 C 21.13 0.30 1 406 . 40 THR HG2 H 1.12 0.05 1 407 . 41 ALA N N 122.52 0.30 1 408 . 41 ALA H H 8.13 0.05 1 409 . 41 ALA CA C 53.29 0.30 1 410 . 41 ALA HA H 4.34 0.05 1 411 . 41 ALA C C 178.21 0.30 1 412 . 41 ALA CB C 18.89 0.30 1 413 . 41 ALA HB H 1.42 0.05 1 414 . 42 GLY N N 107.70 0.30 1 415 . 42 GLY H H 8.58 0.05 1 416 . 42 GLY CA C 46.38 0.30 1 417 . 42 GLY HA2 H 4.14 0.05 1 418 . 42 GLY HA3 H 3.96 0.05 1 419 . 42 GLY C C 175.80 0.30 1 420 . 43 MET N N 117.87 0.30 1 421 . 43 MET H H 7.86 0.05 1 422 . 43 MET CA C 57.80 0.30 1 423 . 43 MET HA H 4.28 0.05 1 424 . 43 MET C C 176.24 0.30 1 425 . 43 MET CB C 31.95 0.30 1 426 . 43 MET HB3 H 2.25 0.05 1 427 . 43 MET HB2 H 2.18 0.05 1 428 . 43 MET CG C 32.02 0.30 1 429 . 43 MET HG3 H 1.99 0.05 1 430 . 43 MET HG2 H 1.99 0.05 1 431 . 44 TYR N N 117.13 0.30 1 432 . 44 TYR H H 7.55 0.05 1 433 . 44 TYR CA C 62.72 0.30 1 434 . 44 TYR HA H 4.04 0.05 1 435 . 44 TYR C C 178.31 0.30 1 436 . 44 TYR CB C 38.60 0.30 1 437 . 44 TYR HB3 H 2.97 0.05 1 438 . 44 TYR HB2 H 2.97 0.05 1 439 . 44 TYR CD1 C 132.21 0.30 1 440 . 44 TYR CD2 C 132.21 0.30 1 441 . 44 TYR HD1 H 6.95 0.05 1 442 . 44 TYR HD2 H 6.95 0.05 1 443 . 45 CYS N N 113.92 0.30 1 444 . 45 CYS H H 8.71 0.05 1 445 . 45 CYS CA C 57.49 0.30 1 446 . 45 CYS HA H 4.46 0.05 1 447 . 45 CYS C C 176.52 0.30 1 448 . 45 CYS CB C 40.58 0.30 1 449 . 45 CYS HB3 H 3.17 0.05 1 450 . 45 CYS HB2 H 3.17 0.05 1 451 . 46 ALA N N 122.09 0.30 1 452 . 46 ALA H H 8.29 0.05 1 453 . 46 ALA CA C 55.33 0.30 1 454 . 46 ALA HA H 4.18 0.05 1 455 . 46 ALA C C 179.63 0.30 1 456 . 46 ALA CB C 18.47 0.30 1 457 . 46 ALA HB H 1.46 0.05 1 458 . 47 ALA N N 118.46 0.30 1 459 . 47 ALA H H 8.66 0.05 1 460 . 47 ALA CA C 55.40 0.30 1 461 . 47 ALA HA H 4.37 0.05 1 462 . 47 ALA C C 178.85 0.30 1 463 . 47 ALA CB C 18.44 0.30 1 464 . 47 ALA HB H 1.63 0.05 1 465 . 48 LEU N N 117.43 0.30 1 466 . 48 LEU H H 8.13 0.05 1 467 . 48 LEU CA C 58.02 0.30 1 468 . 48 LEU HA H 4.10 0.05 1 469 . 48 LEU C C 177.48 0.30 1 470 . 48 LEU CB C 42.01 0.30 1 471 . 48 LEU HB3 H 2.24 0.05 1 472 . 48 LEU HB2 H 1.63 0.05 1 473 . 48 LEU CG C 27.09 0.30 1 474 . 48 LEU HG H 1.62 0.05 1 475 . 48 LEU CD1 C 23.32 0.30 1 476 . 48 LEU HD1 H 1.09 0.05 1 477 . 48 LEU CD2 C 27.02 0.30 1 478 . 48 LEU HD2 H 1.05 0.05 1 479 . 49 GLU N N 117.14 0.30 1 480 . 49 GLU H H 8.51 0.05 1 481 . 49 GLU CA C 59.72 0.30 1 482 . 49 GLU HA H 3.85 0.05 1 483 . 49 GLU C C 178.13 0.30 1 484 . 49 GLU CB C 29.65 0.30 1 485 . 49 GLU CG C 37.44 0.30 1 486 . 49 GLU HG3 H 2.61 0.05 1 487 . 49 GLU HG2 H 2.32 0.05 1 488 . 49 GLU HB3 H 2.23 0.05 1 489 . 49 GLU HB2 H 2.23 0.05 1 490 . 50 SER N N 109.89 0.30 1 491 . 50 SER H H 7.87 0.05 1 492 . 50 SER CA C 61.84 0.30 1 493 . 50 SER HA H 4.35 0.05 1 494 . 50 SER C C 177.90 0.30 1 495 . 50 SER CB C 63.62 0.30 1 496 . 50 SER HB3 H 3.92 0.05 1 497 . 50 SER HB2 H 3.73 0.05 1 498 . 51 LEU N N 115.57 0.30 1 499 . 51 LEU H H 8.04 0.05 1 500 . 51 LEU CA C 56.69 0.30 1 501 . 51 LEU HA H 3.99 0.05 1 502 . 51 LEU C C 179.53 0.30 1 503 . 51 LEU CB C 42.98 0.30 1 504 . 51 LEU HB3 H 1.79 0.05 1 505 . 51 LEU HB2 H 1.42 0.05 1 506 . 51 LEU CG C 26.40 0.30 1 507 . 51 LEU HG H 1.78 0.05 1 508 . 51 LEU CD1 C 25.11 0.30 1 509 . 51 LEU HD1 H 0.77 0.05 1 510 . 51 LEU CD2 C 23.19 0.30 1 511 . 51 LEU HD2 H 0.61 0.05 1 512 . 52 ILE N N 118.39 0.30 1 513 . 52 ILE H H 8.86 0.05 1 514 . 52 ILE CA C 62.03 0.30 1 515 . 52 ILE HA H 4.18 0.05 1 516 . 52 ILE C C 175.09 0.30 1 517 . 52 ILE CB C 37.90 0.30 1 518 . 52 ILE CG1 C 29.32 0.30 1 519 . 52 ILE CG2 C 18.42 0.30 1 520 . 52 ILE HG2 H 0.90 0.05 1 521 . 52 ILE CD1 C 14.31 0.30 1 522 . 52 ILE HD1 H 0.85 0.05 1 523 . 53 ASN N N 114.88 0.30 1 524 . 53 ASN H H 7.06 0.05 1 525 . 53 ASN CA C 54.58 0.30 1 526 . 53 ASN HA H 4.66 0.05 1 527 . 53 ASN C C 174.66 0.30 1 528 . 53 ASN CB C 39.97 0.30 1 529 . 53 ASN HB3 H 2.99 0.05 1 530 . 53 ASN HB2 H 2.67 0.05 1 531 . 53 ASN ND2 N 116.42 0.30 1 532 . 53 ASN HD21 H 7.73 0.05 1 533 . 53 ASN HD22 H 7.36 0.05 1 534 . 54 VAL N N 119.75 0.30 1 535 . 54 VAL H H 7.47 0.05 1 536 . 54 VAL CA C 62.70 0.30 1 537 . 54 VAL HA H 4.04 0.05 1 538 . 54 VAL C C 174.85 0.30 1 539 . 54 VAL CB C 31.55 0.30 1 540 . 54 VAL CG1 C 23.09 0.30 1 541 . 54 VAL HG1 H 0.96 0.05 1 542 . 54 VAL CG2 C 22.55 0.30 1 543 . 54 VAL HG2 H 0.81 0.05 1 544 . 55 SER N N 121.33 0.30 1 545 . 55 SER H H 8.46 0.05 1 546 . 55 SER CA C 57.35 0.30 1 547 . 55 SER HA H 4.76 0.05 1 548 . 55 SER C C 175.17 0.30 1 549 . 55 SER CB C 64.92 0.30 1 550 . 55 SER HB3 H 3.82 0.05 1 551 . 55 SER HB2 H 3.82 0.05 1 552 . 56 GLY N N 110.29 0.30 1 553 . 56 GLY H H 8.88 0.05 1 554 . 56 GLY CA C 46.55 0.30 1 555 . 56 GLY C C 173.78 0.30 1 556 . 57 CYS N N 119.09 0.30 1 557 . 57 CYS H H 8.63 0.05 1 558 . 57 CYS CA C 52.33 0.30 1 559 . 57 CYS HA H 4.83 0.05 1 560 . 57 CYS CB C 39.27 0.30 1 561 . 57 CYS HB3 H 3.17 0.05 1 562 . 57 CYS HB2 H 3.06 0.05 1 563 . 58 SER CA C 61.95 0.30 1 564 . 58 SER HA H 4.22 0.05 1 565 . 58 SER C C 177.14 0.30 1 566 . 58 SER CB C 62.56 0.30 1 567 . 58 SER HB3 H 3.94 0.05 1 568 . 58 SER HB2 H 3.94 0.05 1 569 . 59 ALA N N 120.62 0.30 1 570 . 59 ALA H H 8.68 0.05 1 571 . 59 ALA CA C 54.92 0.30 1 572 . 59 ALA HA H 4.26 0.05 1 573 . 59 ALA C C 178.37 0.30 1 574 . 59 ALA CB C 19.59 0.30 1 575 . 59 ALA HB H 1.49 0.05 1 576 . 60 ILE N N 106.32 0.30 1 577 . 60 ILE H H 7.05 0.05 1 578 . 60 ILE CA C 59.39 0.30 1 579 . 60 ILE HA H 4.58 0.05 1 580 . 60 ILE C C 175.29 0.30 1 581 . 60 ILE CB C 40.98 0.30 1 582 . 60 ILE CG1 C 28.13 0.30 1 583 . 60 ILE CG2 C 17.78 0.30 1 584 . 60 ILE HG2 H 0.97 0.05 1 585 . 60 ILE CD1 C 15.56 0.30 1 586 . 60 ILE HD1 H 0.96 0.05 1 587 . 61 GLU N N 122.95 0.30 1 588 . 61 GLU H H 7.58 0.05 1 589 . 61 GLU CA C 60.27 0.30 1 590 . 61 GLU HA H 4.17 0.05 1 591 . 61 GLU C C 178.87 0.30 1 592 . 61 GLU CB C 29.66 0.30 1 593 . 61 GLU HB3 H 2.16 0.05 1 594 . 61 GLU HB2 H 2.10 0.05 1 595 . 61 GLU CG C 37.17 0.30 1 596 . 61 GLU HG3 H 2.56 0.05 1 597 . 61 GLU HG2 H 2.27 0.05 1 598 . 62 LYS N N 120.35 0.30 1 599 . 62 LYS H H 8.82 0.05 1 600 . 62 LYS CA C 60.85 0.30 1 601 . 62 LYS HA H 4.00 0.05 1 602 . 62 LYS C C 178.72 0.30 1 603 . 62 LYS CB C 31.49 0.30 1 604 . 62 LYS HB3 H 1.96 0.05 1 605 . 62 LYS HB2 H 1.87 0.05 1 606 . 62 LYS CG C 25.70 0.30 1 607 . 62 LYS CD C 29.53 0.30 1 608 . 62 LYS HG3 H 1.53 0.05 1 609 . 62 LYS HG2 H 1.53 0.05 1 610 . 62 LYS HD3 H 1.69 0.05 1 611 . 62 LYS HD2 H 1.69 0.05 1 612 . 63 THR N N 118.09 0.30 1 613 . 63 THR H H 8.70 0.05 1 614 . 63 THR CA C 69.31 0.30 1 615 . 63 THR HA H 3.61 0.05 1 616 . 63 THR C C 176.63 0.30 1 617 . 63 THR CB C 67.80 0.30 1 618 . 63 THR CG2 C 21.22 0.30 1 619 . 63 THR HG2 H 0.99 0.05 1 620 . 64 GLN N N 117.54 0.30 1 621 . 64 GLN H H 8.17 0.05 1 622 . 64 GLN CA C 60.23 0.30 1 623 . 64 GLN HA H 3.73 0.05 1 624 . 64 GLN CB C 28.51 0.30 1 625 . 64 GLN HB3 H 2.65 0.05 1 626 . 64 GLN HB2 H 1.90 0.05 1 627 . 64 GLN CG C 34.84 0.30 1 628 . 64 GLN HG3 H 2.59 0.05 1 629 . 64 GLN HG2 H 1.84 0.05 1 630 . 65 ARG N N 118.58 0.30 1 631 . 65 ARG H H 8.11 0.05 1 632 . 65 ARG CA C 59.75 0.30 1 633 . 65 ARG HA H 4.08 0.05 1 634 . 65 ARG C C 180.60 0.30 1 635 . 65 ARG CB C 29.92 0.30 1 636 . 65 ARG HB3 H 2.08 0.05 1 637 . 65 ARG HB2 H 2.00 0.05 1 638 . 65 ARG CG C 27.49 0.30 1 639 . 65 ARG HG3 H 1.86 0.05 1 640 . 65 ARG HG2 H 1.66 0.05 1 641 . 65 ARG CD C 43.44 0.30 1 642 . 65 ARG HD3 H 3.27 0.05 1 643 . 65 ARG HD2 H 3.20 0.05 1 644 . 66 MET N N 120.26 0.30 1 645 . 66 MET H H 9.08 0.05 1 646 . 66 MET CA C 59.82 0.30 1 647 . 66 MET HA H 4.10 0.05 1 648 . 66 MET C C 180.57 0.30 1 649 . 66 MET CB C 34.40 0.30 1 650 . 66 MET HB3 H 2.21 0.05 1 651 . 66 MET HB2 H 2.17 0.05 1 652 . 66 MET CG C 33.77 0.30 1 653 . 66 MET HG3 H 2.96 0.05 1 654 . 66 MET HG2 H 2.48 0.05 1 655 . 67 LEU N N 118.53 0.30 1 656 . 67 LEU H H 8.89 0.05 1 657 . 67 LEU CA C 58.38 0.30 1 658 . 67 LEU HA H 4.22 0.05 1 659 . 67 LEU C C 179.10 0.30 1 660 . 67 LEU CB C 43.42 0.30 1 661 . 67 LEU HB3 H 2.19 0.05 1 662 . 67 LEU HB2 H 1.57 0.05 1 663 . 67 LEU CG C 27.24 0.30 1 664 . 67 LEU HG H 2.00 0.05 1 665 . 67 LEU CD1 C 26.60 0.30 1 666 . 67 LEU HD1 H 0.88 0.05 1 667 . 67 LEU CD2 C 23.87 0.30 1 668 . 67 LEU HD2 H 1.09 0.05 1 669 . 68 SER N N 113.31 0.30 1 670 . 68 SER H H 8.00 0.05 1 671 . 68 SER CA C 61.69 0.30 1 672 . 68 SER HA H 4.27 0.05 1 673 . 68 SER C C 176.15 0.30 1 674 . 68 SER CB C 62.82 0.30 1 675 . 68 SER HB3 H 4.11 0.05 1 676 . 68 SER HB2 H 4.04 0.05 1 677 . 69 GLY N N 105.43 0.30 1 678 . 69 GLY H H 7.50 0.05 1 679 . 69 GLY CA C 46.07 0.30 1 680 . 69 GLY HA2 H 4.00 0.05 1 681 . 69 GLY HA3 H 3.66 0.05 1 682 . 69 GLY C C 174.63 0.30 1 683 . 70 PHE N N 115.86 0.30 1 684 . 70 PHE H H 7.49 0.05 1 685 . 70 PHE CA C 58.54 0.30 1 686 . 70 PHE HA H 4.30 0.05 1 687 . 70 PHE C C 175.21 0.30 1 688 . 70 PHE CB C 40.74 0.30 1 689 . 70 PHE HB3 H 2.62 0.05 1 690 . 70 PHE HB2 H 2.62 0.05 1 691 . 70 PHE CD1 C 131.58 0.30 1 692 . 70 PHE CD2 C 131.58 0.30 1 693 . 70 PHE HD1 H 6.92 0.05 1 694 . 70 PHE HD2 H 6.92 0.05 1 695 . 71 CYS N N 118.00 0.30 1 696 . 71 CYS H H 7.51 0.05 1 697 . 71 CYS CA C 53.05 0.30 1 698 . 71 CYS HA H 5.22 0.05 1 699 . 71 CYS CB C 43.72 0.30 1 700 . 71 CYS HB3 H 3.33 0.05 1 701 . 71 CYS HB2 H 2.46 0.05 1 702 . 72 PRO CA C 64.16 0.30 1 703 . 72 PRO HA H 4.56 0.05 1 704 . 72 PRO C C 175.83 0.30 1 705 . 72 PRO CB C 31.79 0.30 1 706 . 72 PRO HB3 H 2.22 0.05 1 707 . 72 PRO HB2 H 2.06 0.05 1 708 . 72 PRO CG C 26.99 0.30 1 709 . 72 PRO HG3 H 2.07 0.05 1 710 . 72 PRO HG2 H 1.82 0.05 1 711 . 72 PRO CD C 51.46 0.30 1 712 . 72 PRO HD3 H 3.87 0.05 1 713 . 72 PRO HD2 H 3.78 0.05 1 714 . 73 HIS N N 115.38 0.30 1 715 . 73 HIS H H 7.45 0.05 1 716 . 73 HIS CA C 54.19 0.30 1 717 . 73 HIS HA H 4.93 0.05 1 718 . 73 HIS C C 173.61 0.30 1 719 . 73 HIS CB C 31.67 0.30 1 720 . 73 HIS CD2 C 120.94 0.30 1 721 . 73 HIS HD2 H 7.16 0.05 1 722 . 73 HIS HB3 H 3.18 0.05 1 723 . 73 HIS HB2 H 3.18 0.05 1 724 . 74 LYS N N 120.56 0.30 1 725 . 74 LYS H H 8.57 0.05 1 726 . 74 LYS CA C 56.61 0.30 1 727 . 74 LYS HA H 4.34 0.05 1 728 . 74 LYS C C 176.88 0.30 1 729 . 74 LYS CB C 32.69 0.30 1 730 . 74 LYS CG C 24.82 0.30 1 731 . 74 LYS HG3 H 1.48 0.05 1 732 . 74 LYS HG2 H 1.42 0.05 1 733 . 74 LYS CD C 28.98 0.30 1 734 . 74 LYS HB3 H 1.81 0.05 1 735 . 74 LYS HB2 H 1.81 0.05 1 736 . 74 LYS HD3 H 1.70 0.05 1 737 . 74 LYS HD2 H 1.70 0.05 1 738 . 75 VAL N N 124.05 0.30 1 739 . 75 VAL H H 8.61 0.05 1 740 . 75 VAL CA C 61.82 0.30 1 741 . 75 VAL HA H 4.42 0.05 1 742 . 75 VAL C C 175.26 0.30 1 743 . 75 VAL CB C 33.90 0.30 1 744 . 75 VAL CG1 C 22.11 0.30 1 745 . 75 VAL HG1 H 0.95 0.05 1 746 . 75 VAL CG2 C 21.76 0.30 1 747 . 75 VAL HG2 H 1.02 0.05 1 748 . 76 SER N N 118.98 0.30 1 749 . 76 SER H H 8.43 0.05 1 750 . 76 SER CA C 57.27 0.30 1 751 . 76 SER HA H 4.64 0.05 1 752 . 76 SER C C 173.47 0.30 1 753 . 76 SER CB C 65.04 0.30 1 754 . 76 SER HB3 H 3.80 0.05 1 755 . 76 SER HB2 H 3.68 0.05 1 756 . 77 ALA N N 124.77 0.30 1 757 . 77 ALA H H 8.68 0.05 1 758 . 77 ALA CA C 53.45 0.30 1 759 . 77 ALA HA H 4.09 0.05 1 760 . 77 ALA C C 178.50 0.30 1 761 . 77 ALA CB C 18.46 0.30 1 762 . 77 ALA HB H 1.37 0.05 1 763 . 78 GLY N N 108.96 0.30 1 764 . 78 GLY H H 8.71 0.05 1 765 . 78 GLY CA C 45.61 0.30 1 766 . 78 GLY HA2 H 4.12 0.05 1 767 . 78 GLY HA3 H 3.74 0.05 1 768 . 79 GLN N N 118.60 0.30 1 769 . 79 GLN H H 7.80 0.05 1 770 . 79 GLN CA C 55.65 0.30 1 771 . 79 GLN HA H 4.32 0.05 1 772 . 79 GLN C C 175.40 0.30 1 773 . 79 GLN CB C 29.82 0.30 1 774 . 79 GLN CG C 33.56 0.30 1 775 . 79 GLN HG3 H 2.18 0.05 1 776 . 79 GLN HG2 H 2.11 0.05 1 777 . 79 GLN HB3 H 1.94 0.05 1 778 . 79 GLN HB2 H 1.94 0.05 1 779 . 80 PHE N N 119.41 0.30 1 780 . 80 PHE H H 8.45 0.05 1 781 . 80 PHE CA C 57.23 0.30 1 782 . 80 PHE HA H 4.78 0.05 1 783 . 80 PHE CB C 40.20 0.30 1 784 . 80 PHE HB3 H 3.16 0.05 1 785 . 80 PHE HB2 H 2.85 0.05 1 786 . 80 PHE CD1 C 131.95 0.30 1 787 . 80 PHE CD2 C 131.95 0.30 1 788 . 80 PHE HD1 H 7.23 0.05 1 789 . 80 PHE HD2 H 7.23 0.05 1 790 . 81 SER N N 119.40 0.30 1 791 . 81 SER H H 8.46 0.05 1 792 . 82 SER CA C 59.66 0.30 1 793 . 82 SER HA H 4.38 0.05 1 794 . 82 SER C C 174.40 0.30 1 795 . 82 SER CB C 63.73 0.30 1 796 . 83 LEU N N 121.41 0.30 1 797 . 83 LEU H H 8.09 0.05 1 798 . 83 LEU CA C 55.26 0.30 1 799 . 83 LEU HA H 4.22 0.05 1 800 . 83 LEU C C 176.67 0.30 1 801 . 83 LEU CB C 41.94 0.30 1 802 . 83 LEU HB3 H 1.60 0.05 1 803 . 83 LEU HB2 H 1.47 0.05 1 804 . 83 LEU CG C 27.19 0.30 1 805 . 83 LEU HG H 1.47 0.05 1 806 . 83 LEU CD1 C 24.83 0.30 1 807 . 83 LEU HD1 H 0.88 0.05 1 808 . 83 LEU CD2 C 23.77 0.30 1 809 . 83 LEU HD2 H 0.79 0.05 1 810 . 84 HIS N N 117.06 0.30 1 811 . 84 HIS H H 7.90 0.05 1 812 . 84 HIS CA C 55.94 0.30 1 813 . 84 HIS HA H 4.52 0.05 1 814 . 84 HIS C C 174.95 0.30 1 815 . 84 HIS CB C 29.51 0.30 1 816 . 84 HIS HB3 H 2.83 0.05 1 817 . 84 HIS HB2 H 2.68 0.05 1 818 . 84 HIS CD2 C 119.54 0.30 1 819 . 84 HIS HD2 H 6.88 0.05 1 820 . 85 VAL N N 118.72 0.30 1 821 . 85 VAL H H 7.66 0.05 1 822 . 85 VAL CA C 63.37 0.30 1 823 . 85 VAL HA H 3.92 0.05 1 824 . 85 VAL C C 175.91 0.30 1 825 . 85 VAL CB C 32.31 0.30 1 826 . 85 VAL CG1 C 21.00 0.30 1 827 . 85 VAL CG2 C 21.00 0.30 1 828 . 85 VAL HG1 H 0.87 0.05 1 829 . 85 VAL HG2 H 0.87 0.05 1 830 . 86 ARG N N 121.66 0.30 1 831 . 86 ARG H H 8.33 0.05 1 832 . 86 ARG HA H 4.26 0.05 1 833 . 87 ASP N N 118.71 0.30 1 834 . 87 ASP H H 7.98 0.05 1 835 . 87 ASP CA C 54.64 0.30 1 836 . 87 ASP HA H 4.78 0.05 1 837 . 87 ASP C C 176.01 0.30 1 838 . 87 ASP CB C 42.23 0.30 1 839 . 87 ASP HB3 H 2.81 0.05 1 840 . 87 ASP HB2 H 2.68 0.05 1 841 . 88 THR N N 113.46 0.30 1 842 . 88 THR H H 8.39 0.05 1 843 . 88 THR CA C 61.75 0.30 1 844 . 88 THR HA H 4.62 0.05 1 845 . 88 THR C C 173.49 0.30 1 846 . 88 THR CB C 71.34 0.30 1 847 . 88 THR CG2 C 21.54 0.30 1 848 . 88 THR HG2 H 1.24 0.05 1 849 . 89 LYS N N 123.56 0.30 1 850 . 89 LYS H H 8.52 0.05 1 851 . 89 LYS CA C 55.45 0.30 1 852 . 89 LYS HA H 4.88 0.05 1 853 . 89 LYS C C 175.63 0.30 1 854 . 89 LYS CB C 34.95 0.30 1 855 . 89 LYS HB3 H 1.47 0.05 1 856 . 89 LYS HB2 H 1.25 0.05 1 857 . 89 LYS CG C 25.36 0.30 1 858 . 89 LYS HG3 H 0.82 0.05 1 859 . 89 LYS HG2 H 0.23 0.05 1 860 . 89 LYS CD C 29.04 0.30 1 861 . 89 LYS HD3 H 1.01 0.05 1 862 . 89 LYS HD2 H 0.83 0.05 1 863 . 90 ILE N N 115.60 0.30 1 864 . 90 ILE H H 9.25 0.05 1 865 . 90 ILE CA C 59.33 0.30 1 866 . 90 ILE HA H 4.69 0.05 1 867 . 90 ILE C C 174.38 0.30 1 868 . 90 ILE CB C 43.19 0.30 1 869 . 90 ILE CG1 C 25.46 0.30 1 870 . 90 ILE CG2 C 18.19 0.30 1 871 . 90 ILE HG2 H 0.96 0.05 1 872 . 90 ILE CD1 C 14.17 0.30 1 873 . 90 ILE HD1 H 0.96 0.05 1 874 . 91 GLU N N 120.67 0.30 1 875 . 91 GLU H H 8.87 0.05 1 876 . 91 GLU CA C 57.30 0.30 1 877 . 91 GLU HA H 4.54 0.05 1 878 . 91 GLU C C 179.10 0.30 1 879 . 91 GLU CB C 30.23 0.30 1 880 . 91 GLU HB3 H 2.32 0.05 1 881 . 91 GLU HB2 H 2.06 0.05 1 882 . 91 GLU CG C 37.29 0.30 1 883 . 91 GLU HG3 H 2.44 0.05 1 884 . 91 GLU HG2 H 2.44 0.05 1 885 . 92 VAL N N 121.94 0.30 1 886 . 92 VAL H H 8.62 0.05 1 887 . 92 VAL CA C 66.75 0.30 1 888 . 92 VAL HA H 3.64 0.05 1 889 . 92 VAL C C 176.97 0.30 1 890 . 92 VAL CB C 31.35 0.30 1 891 . 92 VAL CG1 C 22.03 0.30 1 892 . 92 VAL HG1 H 0.87 0.05 1 893 . 92 VAL CG2 C 24.49 0.30 1 894 . 92 VAL HG2 H 0.91 0.05 1 895 . 93 ALA N N 119.73 0.30 1 896 . 93 ALA H H 9.42 0.05 1 897 . 93 ALA CA C 56.18 0.30 1 898 . 93 ALA HA H 3.99 0.05 1 899 . 93 ALA C C 179.64 0.30 1 900 . 93 ALA CB C 19.01 0.30 1 901 . 93 ALA HB H 1.59 0.05 1 902 . 94 GLN N N 115.59 0.30 1 903 . 94 GLN H H 7.00 0.05 1 904 . 94 GLN CA C 58.05 0.30 1 905 . 94 GLN HA H 4.02 0.05 1 906 . 94 GLN C C 176.81 0.30 1 907 . 94 GLN CB C 28.40 0.30 1 908 . 94 GLN HB3 H 2.34 0.05 1 909 . 94 GLN HB2 H 2.22 0.05 1 910 . 94 GLN CG C 33.48 0.30 1 911 . 94 GLN HG3 H 2.49 0.05 1 912 . 94 GLN HG2 H 2.49 0.05 1 913 . 95 PHE N N 119.14 0.30 1 914 . 95 PHE H H 8.24 0.05 1 915 . 95 PHE CA C 61.80 0.30 1 916 . 95 PHE HA H 4.03 0.05 1 917 . 95 PHE C C 178.31 0.30 1 918 . 95 PHE CB C 39.72 0.30 1 919 . 95 PHE HB3 H 3.43 0.05 1 920 . 95 PHE HB2 H 2.81 0.05 1 921 . 95 PHE CZ C 129.17 0.30 1 922 . 95 PHE HZ H 7.41 0.05 1 923 . 95 PHE CD1 C 132.52 0.30 1 924 . 95 PHE CD2 C 132.52 0.30 1 925 . 95 PHE HD1 H 7.11 0.05 1 926 . 95 PHE HD2 H 7.11 0.05 1 927 . 96 VAL N N 114.97 0.30 1 928 . 96 VAL H H 8.90 0.05 1 929 . 96 VAL CA C 66.90 0.30 1 930 . 96 VAL HA H 3.66 0.05 1 931 . 96 VAL C C 176.76 0.30 1 932 . 96 VAL CB C 31.39 0.30 1 933 . 96 VAL CG1 C 23.15 0.30 1 934 . 96 VAL HG1 H 1.05 0.05 1 935 . 96 VAL CG2 C 22.55 0.30 1 936 . 96 VAL HG2 H 1.12 0.05 1 937 . 97 LYS N N 120.39 0.30 1 938 . 97 LYS H H 7.71 0.05 1 939 . 97 LYS CA C 60.70 0.30 1 940 . 97 LYS HA H 3.94 0.05 1 941 . 97 LYS C C 178.67 0.30 1 942 . 97 LYS CB C 32.27 0.30 1 943 . 97 LYS CD C 29.55 0.30 1 944 . 97 LYS HB3 H 1.99 0.05 1 945 . 97 LYS HB2 H 1.99 0.05 1 946 . 97 LYS HG3 H 1.48 0.05 1 947 . 97 LYS HG2 H 1.48 0.05 1 948 . 97 LYS HD3 H 1.72 0.05 1 949 . 97 LYS HD2 H 1.72 0.05 1 950 . 98 ASP N N 119.24 0.30 1 951 . 98 ASP H H 8.40 0.05 1 952 . 98 ASP CA C 57.50 0.30 1 953 . 98 ASP HA H 4.39 0.05 1 954 . 98 ASP C C 179.04 0.30 1 955 . 98 ASP CB C 39.95 0.30 1 956 . 98 ASP HB3 H 2.61 0.05 1 957 . 98 ASP HB2 H 2.44 0.05 1 958 . 99 LEU N N 120.63 0.30 1 959 . 99 LEU H H 8.17 0.05 1 960 . 99 LEU CA C 58.04 0.30 1 961 . 99 LEU HA H 3.91 0.05 1 962 . 99 LEU C C 177.70 0.30 1 963 . 99 LEU CB C 41.94 0.30 1 964 . 99 LEU HB3 H 1.89 0.05 1 965 . 99 LEU HB2 H 1.19 0.05 1 966 . 99 LEU CG C 26.62 0.30 1 967 . 99 LEU HG H 1.49 0.05 1 968 . 99 LEU CD1 C 23.14 0.30 1 969 . 99 LEU HD1 H 0.75 0.05 1 970 . 99 LEU CD2 C 26.11 0.30 1 971 . 99 LEU HD2 H 0.87 0.05 1 972 . 100 LEU N N 118.62 0.30 1 973 . 100 LEU H H 8.58 0.05 1 974 . 100 LEU CA C 58.59 0.30 1 975 . 100 LEU HA H 3.92 0.05 1 976 . 100 LEU C C 177.66 0.30 1 977 . 100 LEU CB C 41.59 0.30 1 978 . 100 LEU HB3 H 2.15 0.05 1 979 . 100 LEU HB2 H 1.61 0.05 1 980 . 100 LEU CD1 C 24.49 0.30 1 981 . 100 LEU HD1 H 1.02 0.05 1 982 . 100 LEU CD2 C 26.33 0.30 1 983 . 100 LEU HD2 H 0.88 0.05 1 984 . 101 LEU N N 116.78 0.30 1 985 . 101 LEU H H 7.84 0.05 1 986 . 101 LEU CA C 58.62 0.30 1 987 . 101 LEU HA H 3.95 0.05 1 988 . 101 LEU C C 180.04 0.30 1 989 . 101 LEU CB C 41.58 0.30 1 990 . 101 LEU HB3 H 1.89 0.05 1 991 . 101 LEU HB2 H 1.66 0.05 1 992 . 101 LEU CG C 26.97 0.30 1 993 . 101 LEU HG H 1.82 0.05 1 994 . 101 LEU CD1 C 25.10 0.30 1 995 . 101 LEU HD1 H 0.97 0.05 1 996 . 101 LEU CD2 C 23.67 0.30 1 997 . 101 LEU HD2 H 0.90 0.05 1 998 . 102 HIS N N 117.62 0.30 1 999 . 102 HIS H H 7.69 0.05 1 1000 . 102 HIS CA C 59.78 0.30 1 1001 . 102 HIS HA H 4.38 0.05 1 1002 . 102 HIS C C 177.63 0.30 1 1003 . 102 HIS CB C 31.45 0.30 1 1004 . 102 HIS HB3 H 3.18 0.05 1 1005 . 102 HIS HB2 H 3.10 0.05 1 1006 . 102 HIS CD2 C 118.65 0.30 1 1007 . 102 HIS HD2 H 6.63 0.05 1 1008 . 103 LEU N N 117.24 0.30 1 1009 . 103 LEU H H 8.90 0.05 1 1010 . 103 LEU CA C 58.08 0.30 1 1011 . 103 LEU HA H 3.97 0.05 1 1012 . 103 LEU C C 179.49 0.30 1 1013 . 103 LEU CB C 41.41 0.30 1 1014 . 103 LEU HB3 H 1.93 0.05 1 1015 . 103 LEU HB2 H 1.37 0.05 1 1016 . 103 LEU CG C 26.36 0.30 1 1017 . 103 LEU HG H 2.04 0.05 1 1018 . 103 LEU CD1 C 27.13 0.30 1 1019 . 103 LEU HD1 H 0.77 0.05 1 1020 . 103 LEU CD2 C 22.76 0.30 1 1021 . 103 LEU HD2 H 0.82 0.05 1 1022 . 104 LYS N N 116.50 0.30 1 1023 . 104 LYS H H 8.62 0.05 1 1024 . 104 LYS CA C 60.87 0.30 1 1025 . 104 LYS HA H 3.96 0.05 1 1026 . 104 LYS C C 179.44 0.30 1 1027 . 104 LYS CB C 32.62 0.30 1 1028 . 104 LYS HB3 H 1.91 0.05 1 1029 . 104 LYS HB2 H 1.86 0.05 1 1030 . 104 LYS CG C 26.81 0.30 1 1031 . 104 LYS HG3 H 1.80 0.05 1 1032 . 104 LYS HG2 H 1.40 0.05 1 1033 . 104 LYS CD C 29.85 0.30 1 1034 . 104 LYS HD3 H 1.67 0.05 1 1035 . 104 LYS HD2 H 1.61 0.05 1 1036 . 105 LYS N N 119.83 0.30 1 1037 . 105 LYS H H 7.40 0.05 1 1038 . 105 LYS CA C 59.85 0.30 1 1039 . 105 LYS HA H 4.03 0.05 1 1040 . 105 LYS C C 178.16 0.30 1 1041 . 105 LYS CB C 32.17 0.30 1 1042 . 105 LYS HB3 H 2.07 0.05 1 1043 . 105 LYS HB2 H 1.90 0.05 1 1044 . 105 LYS CG C 25.05 0.30 1 1045 . 105 LYS HG3 H 1.55 0.05 1 1046 . 105 LYS HG2 H 1.29 0.05 1 1047 . 105 LYS CD C 29.42 0.30 1 1048 . 105 LYS HD3 H 1.67 0.05 1 1049 . 105 LYS HD2 H 1.67 0.05 1 1050 . 106 LEU N N 118.16 0.30 1 1051 . 106 LEU H H 7.87 0.05 1 1052 . 106 LEU CA C 57.95 0.30 1 1053 . 106 LEU HA H 3.94 0.05 1 1054 . 106 LEU C C 179.35 0.30 1 1055 . 106 LEU CB C 41.10 0.30 1 1056 . 106 LEU HB3 H 1.86 0.05 1 1057 . 106 LEU HB2 H 1.62 0.05 1 1058 . 107 PHE N N 117.78 0.30 1 1059 . 107 PHE H H 8.68 0.05 1 1060 . 107 PHE CA C 61.09 0.30 1 1061 . 107 PHE HA H 4.14 0.05 1 1062 . 107 PHE C C 178.44 0.30 1 1063 . 107 PHE CB C 39.91 0.30 1 1064 . 107 PHE HB3 H 3.19 0.05 1 1065 . 107 PHE HB2 H 3.14 0.05 1 1066 . 107 PHE CD1 C 131.99 0.30 1 1067 . 107 PHE CD2 C 131.99 0.30 1 1068 . 107 PHE HD1 H 7.22 0.05 1 1069 . 107 PHE HD2 H 7.22 0.05 1 1070 . 108 ARG N N 118.52 0.30 1 1071 . 108 ARG H H 8.09 0.05 1 1072 . 108 ARG CA C 58.54 0.30 1 1073 . 108 ARG HA H 4.12 0.05 1 1074 . 108 ARG C C 177.92 0.30 1 1075 . 108 ARG CB C 30.25 0.30 1 1076 . 108 ARG CG C 27.55 0.30 1 1077 . 108 ARG CD C 43.60 0.30 1 1078 . 108 ARG HB3 H 2.04 0.05 1 1079 . 108 ARG HB2 H 2.04 0.05 1 1080 . 108 ARG HG3 H 1.83 0.05 1 1081 . 108 ARG HG2 H 1.83 0.05 1 1082 . 108 ARG HD3 H 3.28 0.05 1 1083 . 108 ARG HD2 H 3.28 0.05 1 1084 . 109 GLU N N 116.25 0.30 1 1085 . 109 GLU H H 7.96 0.05 1 1086 . 109 GLU CA C 56.86 0.30 1 1087 . 109 GLU HA H 4.19 0.05 1 1088 . 109 GLU C C 176.94 0.30 1 1089 . 109 GLU CB C 30.05 0.30 1 1090 . 109 GLU HB3 H 2.13 0.05 1 1091 . 109 GLU HB2 H 2.02 0.05 1 1092 . 109 GLU CG C 36.82 0.30 1 1093 . 109 GLU HG3 H 2.50 0.05 1 1094 . 109 GLU HG2 H 2.28 0.05 1 1095 . 110 GLY N N 107.06 0.30 1 1096 . 110 GLY H H 7.77 0.05 1 1097 . 110 GLY CA C 45.76 0.30 1 1098 . 110 GLY HA2 H 3.73 0.05 1 1099 . 110 GLY HA3 H 3.43 0.05 1 1100 . 110 GLY C C 173.89 0.30 1 1101 . 111 ARG N N 118.59 0.30 1 1102 . 111 ARG H H 7.76 0.05 1 1103 . 111 ARG CA C 55.11 0.30 1 1104 . 111 ARG HA H 4.30 0.05 1 1105 . 111 ARG CB C 30.26 0.30 1 1106 . 111 ARG HB3 H 1.81 0.05 1 1107 . 111 ARG HB2 H 1.63 0.05 1 1108 . 111 ARG CG C 26.92 0.30 1 1109 . 111 ARG CD C 43.48 0.30 1 1110 . 111 ARG HG3 H 1.50 0.05 1 1111 . 111 ARG HG2 H 1.50 0.05 1 1112 . 111 ARG HD3 H 3.16 0.05 1 1113 . 111 ARG HD2 H 3.16 0.05 1 1114 . 112 PHE N N 118.55 0.30 1 1115 . 112 PHE H H 7.97 0.05 1 1116 . 112 PHE CA C 57.12 0.30 1 1117 . 112 PHE HA H 4.77 0.05 1 1118 . 112 PHE C C 174.50 0.30 1 1119 . 112 PHE CB C 39.88 0.30 1 1120 . 112 PHE HB3 H 3.30 0.05 1 1121 . 112 PHE HB2 H 2.87 0.05 1 1122 . 112 PHE CD1 C 131.90 0.30 1 1123 . 112 PHE CD2 C 131.90 0.30 1 1124 . 112 PHE HD1 H 7.18 0.05 1 1125 . 112 PHE HD2 H 7.18 0.05 1 1126 . 113 ASN N N 121.78 0.30 1 1127 . 113 ASN H H 7.91 0.05 1 1128 . 113 ASN CA C 54.65 0.30 1 1129 . 113 ASN HA H 4.57 0.05 1 1130 . 113 ASN CB C 40.69 0.30 1 1131 . 113 ASN HB3 H 2.85 0.05 1 1132 . 113 ASN HB2 H 2.81 0.05 1 1133 . 113 ASN ND2 N 111.15 0.30 1 1134 . 113 ASN HD21 H 7.58 0.05 1 1135 . 113 ASN HD22 H 6.84 0.05 1 stop_ save_