data_4078 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C Resonance Assignments and Secondary Structure of Group II Phospholipase A2 from Agkistrodon piscivorus piscivorus: Presence of an Amino-Terminal Helix in Solution ; _BMRB_accession_number 4078 _BMRB_flat_file_name bmr4078.str _Entry_type update _Submission_date 1997-12-07 _Accession_date 1997-12-07 _Entry_origination BMRB _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 Jerala Roman . . 2 Almeida Paulo F.F. . 3 Ye Qiang . . 4 Biltonen Rodney L. . 5 Rule Gordon S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 669 "13C chemical shifts" 462 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-02-16 reformat BMRB 'Format updated to NMR-STAR version 2.1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Jerala, R., Almeida, P. F.F., Ye, Q., Biltonen, R. L., and Rule, G. S, "1H, 15N and 13C Resonance Assignments and Secondary Structure of Group II Phospholipase A2 from Agkistrodon piscivorus piscivorus: Presence of an Amino-Terminal Helix in Solution," J. Biomol. NMR 7, 107-120 , (1996). ; _Citation_title ; 1H, 15N and 13C Resonance Assignments and Secondary Structure of Group II Phospholipase A2 from Agkistrodon piscivorus piscivorus: Presence of an Amino-Terminal Helix in Solution ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 96202132 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jerala Roman . . 2 Almeida Paulo F.F. . 3 Ye Qiang . . 4 Biltonen Rodney L. . 5 Rule Gordon S. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 7 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 107 _Page_last 120 _Year 1996 _Details . loop_ _Keyword NMR 'Nuclear Magnetic Resonance' 'group II Phospholipase A2 (PA2)' 'Agkistrodon piscivorus piscivorus (App)' stop_ save_ ################################## # Molecular system description # ################################## save_system_App-D49_PLA2 _Saveframe_category molecular_system _Mol_system_name 'App-D49 PLA2' _Abbreviation_common 'App-D49 PLA2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'App-D49 PLA2' $App-D49_PLA2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function ; 'Class II PLA2 play a role in the release of arachidonic acid, a precursor in the formation of inflammatory mediators such as prostaglandins and thromboxanes' ; stop_ _Database_query_date . _Details ; Class II PLA2s are found in many mammalian cells such as platelets and endothelial cells, and arthritic synovial joints. ; save_ ######################## # Monomeric polymers # ######################## save_App-D49_PLA2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'phospholipase A2' _Name_variant 'App-D49 PLA2' _Molecular_mass 14000 _Mol_thiol_state 'not reported' _Details ; App-D49_PLA2 differs from the native enzyme of group II Phospholipase A2 (PLA2) by the replacement of the N-terminal ASN residue with SER ; ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; SLFQFEKLIKKMTGKSGMLW YSAYGCYCGWGGQGRPKDAT DRCCFVHDCCYGKVTGCNPK MDIYTYSVENGNIVCGGTNP CKKQICECDRAAAICFRDNL KTYDSKTYWKYPKKNCKEES EPC ; loop_ _Residue_seq_code _Residue_label 1 SER 2 LEU 3 PHE 4 GLN 5 PHE 6 GLU 7 LYS 8 LEU 9 ILE 10 LYS 11 LYS 12 MET 13 THR 14 GLY 15 LYS 16 SER 17 GLY 18 MET 19 LEU 20 TRP 21 TYR 22 SER 23 ALA 24 TYR 25 GLY 26 CYS 27 TYR 28 CYS 29 GLY 30 TRP 31 GLY 32 GLY 33 GLN 34 GLY 35 ARG 36 PRO 37 LYS 38 ASP 39 ALA 40 THR 41 ASP 42 ARG 43 CYS 44 CYS 45 PHE 46 VAL 47 HIS 48 ASP 49 CYS 50 CYS 51 TYR 52 GLY 53 LYS 54 VAL 55 THR 56 GLY 57 CYS 58 ASN 59 PRO 60 LYS 61 MET 62 ASP 63 ILE 64 TYR 65 THR 66 TYR 67 SER 68 VAL 69 GLU 70 ASN 71 GLY 72 ASN 73 ILE 74 VAL 75 CYS 76 GLY 77 GLY 78 THR 79 ASN 80 PRO 81 CYS 82 LYS 83 LYS 84 GLN 85 ILE 86 CYS 87 GLU 88 CYS 89 ASP 90 ARG 91 ALA 92 ALA 93 ALA 94 ILE 95 CYS 96 PHE 97 ARG 98 ASP 99 ASN 100 LEU 101 LYS 102 THR 103 TYR 104 ASP 105 SER 106 LYS 107 THR 108 TYR 109 TRP 110 LYS 111 TYR 112 PRO 113 LYS 114 LYS 115 ASN 116 CYS 117 LYS 118 GLU 119 GLU 120 SER 121 GLU 122 PRO 123 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-03 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 1VAP "The Monomeric Asp49 Secretory Phospholipase A2 From The Venom Of Agkistridon Piscivorus Piscivorus" 100.00 123 98.37 100.00 4.54e-83 GB AAB25792 "lysine-49 phospholipase A2 [Agkistrodon piscivorus, ssp. piscivorus, venom, Peptide, 123 aa]" 100.00 123 98.37 100.00 4.54e-83 GB AAB26655 "phospholipase A2 dimer {EC 3.1.1.4} [Agkistrodon piscivorus, piscivorus, Peptide, 123 aa]" 100.00 123 98.37 100.00 4.54e-83 SP P51972 "RecName: Full=Basic phospholipase A2 APP-D49; Short=svPLA2; AltName: Full=App-dimer; AltName: Full=Phosphatidylcholine 2-acylhy" 100.00 123 98.37 100.00 4.54e-83 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $App-D49_PLA2 'eastern cottonmouth' 8715 Eukaryota Metazoa Agkistrodon piscivorus 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 $App-D49_PLA2 'recombinant technology' 'E. coli' Eschericia coli . . ; native source (Cloning and expression of App-D49 PLA2 have been described by : Lathrop, B.K., Burack, W.R., Biltonen, R. L., and Rule, G.S.(1992) Protein Exp. Purif., 3, -) ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $App-D49_PLA2 0.2 mM [U-15N] 'sodium phosphate' 20 mM . KCL 100 mM . D2O 5 % . H2O 95 % . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $App-D49_PLA2 0.2 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM . KCL 100 mM . D2O 5 % . H2O 95 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.3 . n/a temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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_citation_label _Correction_value_citation_label TSP H 1 'methyl protons' ppm 0.00 . . . . . $entry_citation $entry_citation TSP C 13 'methyl carbons' ppm 0.00 . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $entry_citation $entry_citation 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_chemical_shift_assignment _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one $sample_two stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chem_shift_reference _Mol_system_component_name 'App-D49 PLA2' _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 SER H H 8.17 . 1 2 . 1 SER HA H 3.81 . 1 3 . 1 SER HB2 H 3.46 . 1 4 . 1 SER HB3 H 3.46 . 1 5 . 1 SER C C 172.9 . 1 6 . 1 SER CA C 57.8 . 1 7 . 1 SER CB C 63.7 . 1 8 . 1 SER N N 132.3 . 1 9 . 2 LEU H H 8.38 . 1 10 . 2 LEU HA H 4.51 . 1 11 . 2 LEU HB2 H 1.83 . 1 12 . 2 LEU HB3 H 1.83 . 1 13 . 2 LEU HG H 1.76 . 1 14 . 2 LEU HD1 H 1.11 . 2 15 . 2 LEU HD2 H 1.27 . 2 16 . 2 LEU C C 178.1 . 1 17 . 2 LEU CA C 59.1 . 1 18 . 2 LEU CB C 41.7 . 1 19 . 2 LEU CG C 41.7 . 1 20 . 2 LEU CD1 C 25.6 . 2 21 . 2 LEU CD2 C 25.1 . 2 22 . 2 LEU N N 122.1 . 1 23 . 3 PHE H H 8.14 . 1 24 . 3 PHE HA H 4.40 . 1 25 . 3 PHE HB2 H 3.11 . 2 26 . 3 PHE HB3 H 2.95 . 2 27 . 3 PHE HD1 H 7.78 . 1 28 . 3 PHE HD2 H 7.78 . 1 29 . 3 PHE C C 178.1 . 1 30 . 3 PHE CA C 61.1 . 1 31 . 3 PHE CB C 38.8 . 1 32 . 3 PHE N N 117.7 . 1 33 . 4 GLN H H 7.33 . 1 34 . 4 GLN HA H 3.89 . 1 35 . 4 GLN HB2 H 2.07 . 2 36 . 4 GLN HB3 H 1.75 . 2 37 . 4 GLN HG2 H 2.24 . 1 38 . 4 GLN HG3 H 2.24 . 1 39 . 4 GLN HE21 H 7.05 . 2 40 . 4 GLN HE22 H 6.82 . 2 41 . 4 GLN C C 177.5 . 1 42 . 4 GLN CA C 59.8 . 1 43 . 4 GLN CB C 31.2 . 1 44 . 4 GLN CG C 35.7 . 1 45 . 4 GLN N N 119.2 . 1 46 . 4 GLN NE2 N 112.1 . 1 47 . 5 PHE H H 8.29 . 1 48 . 5 PHE HA H 4.42 . 1 49 . 5 PHE HB2 H 3.75 . 2 50 . 5 PHE HB3 H 3.41 . 2 51 . 5 PHE HD1 H 7.20 . 1 52 . 5 PHE HD2 H 7.20 . 1 53 . 5 PHE HE1 H 7.04 . 1 54 . 5 PHE HE2 H 7.04 . 1 55 . 5 PHE C C 177.4 . 1 56 . 5 PHE CA C 58.8 . 1 57 . 5 PHE CB C 37.9 . 1 58 . 5 PHE N N 120.1 . 1 59 . 6 GLU H H 8.18 . 1 60 . 6 GLU HA H 3.73 . 1 61 . 6 GLU HB2 H 2.05 . 1 62 . 6 GLU HB3 H 2.05 . 1 63 . 6 GLU HG2 H 2.34 . 1 64 . 6 GLU HG3 H 2.34 . 1 65 . 6 GLU C C 179.2 . 1 66 . 6 GLU CA C 59.6 . 1 67 . 6 GLU CB C 28.4 . 1 68 . 6 GLU CG C 34.7 . 1 69 . 6 GLU N N 115.4 . 1 70 . 7 LYS H H 7.50 . 1 71 . 7 LYS HA H 3.95 . 1 72 . 7 LYS HB2 H 2.03 . 2 73 . 7 LYS HB3 H 1.76 . 2 74 . 7 LYS HG2 H 1.31 . 1 75 . 7 LYS HG3 H 1.31 . 1 76 . 7 LYS HD2 H 1.50 . 1 77 . 7 LYS HD3 H 1.50 . 1 78 . 7 LYS HE2 H 2.87 . 1 79 . 7 LYS HE3 H 2.87 . 1 80 . 7 LYS C C 179.5 . 1 81 . 7 LYS CA C 60.0 . 1 82 . 7 LYS CB C 31.9 . 1 83 . 7 LYS CG C 50.6 . 1 84 . 7 LYS CD C 29.4 . 1 85 . 7 LYS CE C 42.5 . 1 86 . 7 LYS N N 120.9 . 1 87 . 8 LEU H H 8.37 . 1 88 . 8 LEU HA H 3.74 . 1 89 . 8 LEU HB2 H 1.94 . 2 90 . 8 LEU HB3 H 1.02 . 2 91 . 8 LEU HG H 1.65 . 1 92 . 8 LEU HD1 H 0.50 . 2 93 . 8 LEU HD2 H 0.22 . 2 94 . 8 LEU C C 179.2 . 1 95 . 8 LEU CA C 59.1 . 1 96 . 8 LEU CB C 41.7 . 1 97 . 8 LEU CG C 27.6 . 1 98 . 8 LEU CD1 C 25.6 . 2 99 . 8 LEU CD2 C 22.9 . 2 100 . 8 LEU N N 121.7 . 1 101 . 9 ILE H H 8.45 . 1 102 . 9 ILE HA H 3.18 . 1 103 . 9 ILE HB H 1.54 . 1 104 . 9 ILE HD1 H -0.30 . 1 105 . 9 ILE C C 179.9 . 1 106 . 9 ILE CA C 67.3 . 1 107 . 9 ILE CB C 38.7 . 1 108 . 9 ILE CG1 C 15.7 . 1 109 . 9 ILE CG2 C 18.1 . 1 110 . 9 ILE CD1 C 39.7 . 1 111 . 9 ILE N N 119.3 . 1 112 . 10 LYS H H 7.92 . 1 113 . 10 LYS HA H 4.18 . 1 114 . 10 LYS HB2 H 1.84 . 1 115 . 10 LYS HB3 H 1.84 . 1 116 . 10 LYS HG2 H 1.33 . 1 117 . 10 LYS HG3 H 1.33 . 1 118 . 10 LYS HD2 H 1.63 . 1 119 . 10 LYS HD3 H 1.63 . 1 120 . 10 LYS HE2 H 2.93 . 1 121 . 10 LYS HE3 H 2.93 . 1 122 . 10 LYS C C 179.6 . 1 123 . 10 LYS CA C 59.4 . 1 124 . 10 LYS CB C 31.9 . 1 125 . 10 LYS CG C 25.2 . 1 126 . 10 LYS CD C 29.3 . 1 127 . 10 LYS CE C 42.5 . 1 128 . 10 LYS N N 124.4 . 1 129 . 11 LYS H H 8.18 . 1 130 . 11 LYS HA H 4.03 . 1 131 . 11 LYS HB2 H 1.83 . 1 132 . 11 LYS HB3 H 1.83 . 1 133 . 11 LYS HG2 H 1.41 . 1 134 . 11 LYS HG3 H 1.41 . 1 135 . 11 LYS HD2 H 1.59 . 1 136 . 11 LYS HD3 H 1.59 . 1 137 . 11 LYS HE2 H 2.84 . 1 138 . 11 LYS HE3 H 2.84 . 1 139 . 11 LYS C C 178.1 . 1 140 . 11 LYS CA C 58.7 . 1 141 . 11 LYS CB C 31.9 . 1 142 . 11 LYS CG C 25.4 . 1 143 . 11 LYS CD C 29.3 . 1 144 . 11 LYS CE C 42.5 . 1 145 . 11 LYS N N 119.7 . 1 146 . 12 MET H H 7.95 . 1 147 . 12 MET HA H 4.62 . 1 148 . 12 MET HB2 H 1.98 . 2 149 . 12 MET HB3 H 1.70 . 2 150 . 12 MET HG2 H 2.50 . 2 151 . 12 MET HG3 H 2.22 . 2 152 . 12 MET C C 177.7 . 1 153 . 12 MET CA C 56.2 . 1 154 . 12 MET CB C 33.6 . 1 155 . 12 MET CG C 32.6 . 1 156 . 12 MET N N 112.1 . 1 157 . 13 THR H H 8.35 . 1 158 . 13 THR HA H 4.38 . 1 159 . 13 THR HB H 4.03 . 1 160 . 13 THR HG2 H 1.00 . 1 161 . 13 THR C C 175.1 . 1 162 . 13 THR CA C 62.9 . 1 163 . 13 THR CB C 73.0 . 1 164 . 13 THR CG2 C 22.0 . 1 165 . 13 THR N N 105.6 . 1 166 . 14 GLY H H 8.10 . 1 167 . 14 GLY HA2 H 3.89 . 2 168 . 14 GLY HA3 H 3.70 . 2 169 . 14 GLY C C 173.4 . 1 170 . 14 GLY CA C 46.0 . 1 171 . 14 GLY N N 110.9 . 1 172 . 15 LYS H H 8.28 . 1 173 . 15 LYS HA H 4.20 . 1 174 . 15 LYS HB2 H 1.26 . 2 175 . 15 LYS HB3 H 0.96 . 2 176 . 15 LYS HG2 H 0.52 . 1 177 . 15 LYS HG3 H 0.52 . 1 178 . 15 LYS HD2 H 0.34 . 1 179 . 15 LYS HD3 H 0.34 . 1 180 . 15 LYS HE2 H 1.75 . 1 181 . 15 LYS HE3 H 1.75 . 1 182 . 15 LYS C C 174.5 . 1 183 . 15 LYS CA C 54.2 . 1 184 . 15 LYS CB C 33.9 . 1 185 . 15 LYS CG C 24.2 . 1 186 . 15 LYS CD C 28.1 . 1 187 . 15 LYS CE C 42.0 . 1 188 . 15 LYS N N 121.0 . 1 189 . 16 SER H H 8.08 . 1 190 . 16 SER HA H 4.29 . 1 191 . 16 SER HB2 H 3.77 . 1 192 . 16 SER HB3 H 3.77 . 1 193 . 16 SER C C 176.6 . 1 194 . 16 SER CA C 57.9 . 1 195 . 16 SER CB C 64.3 . 1 196 . 16 SER N N 112.0 . 1 197 . 17 GLY H H 9.07 . 1 198 . 17 GLY HA2 H 3.84 . 1 199 . 17 GLY HA3 H 3.84 . 1 200 . 17 GLY C C 176.4 . 1 201 . 17 GLY CA C 48.1 . 1 202 . 17 GLY N N 117.6 . 1 203 . 18 MET H H 8.71 . 1 204 . 18 MET HA H 4.21 . 1 205 . 18 MET HB2 H 2.45 . 2 206 . 18 MET HB3 H 1.92 . 2 207 . 18 MET HG2 H 1.63 . 1 208 . 18 MET HG3 H 1.63 . 1 209 . 18 MET C C 177.9 . 1 210 . 18 MET CA C 58.3 . 1 211 . 18 MET CB C 32.1 . 1 212 . 18 MET CG C 27.8 . 1 213 . 18 MET N N 121.2 . 1 214 . 19 LEU H H 7.47 . 1 215 . 19 LEU HA H 4.16 . 1 216 . 19 LEU HB2 H 1.33 . 2 217 . 19 LEU HB3 H 1.02 . 2 218 . 19 LEU HG H 0.90 . 1 219 . 19 LEU HD1 H 0.73 . 2 220 . 19 LEU HD2 H 0.59 . 2 221 . 19 LEU C C 177.3 . 1 222 . 19 LEU CA C 56.9 . 1 223 . 19 LEU CB C 42.5 . 1 224 . 19 LEU CG C 21.4 . 1 225 . 19 LEU CD1 C 24.8 . 2 226 . 19 LEU CD2 C 24.2 . 2 227 . 19 LEU N N 118.6 . 1 228 . 20 TRP H H 7.45 . 1 229 . 20 TRP HA H 4.35 . 1 230 . 20 TRP HB2 H 2.18 . 1 231 . 20 TRP HB3 H 2.18 . 1 232 . 20 TRP HD1 H 7.16 . 1 233 . 20 TRP HE1 H 9.80 . 1 234 . 20 TRP HZ2 H 7.16 . 1 235 . 20 TRP C C 177.4 . 1 236 . 20 TRP CA C 58.5 . 1 237 . 20 TRP CB C 31.3 . 1 238 . 20 TRP N N 114.7 . 1 239 . 20 TRP NE1 N 128.9 . 1 240 . 21 TYR H H 8.08 . 1 241 . 21 TYR HA H 4.76 . 1 242 . 21 TYR HB2 H 2.27 . 1 243 . 21 TYR HB3 H 2.27 . 1 244 . 21 TYR C C 174.4 . 1 245 . 21 TYR CA C 58.7 . 1 246 . 21 TYR CB C 39.7 . 1 247 . 21 TYR N N 114.9 . 1 248 . 22 SER H H 7.33 . 1 249 . 22 SER HA H 4.29 . 1 250 . 22 SER HB2 H 3.97 . 1 251 . 22 SER HB3 H 3.97 . 1 252 . 22 SER C C 173.4 . 1 253 . 22 SER CA C 59.8 . 1 254 . 22 SER CB C 64.8 . 1 255 . 22 SER N N 112.5 . 1 256 . 23 ALA H H 6.94 . 1 257 . 23 ALA HA H 4.35 . 1 258 . 23 ALA HB H 0.69 . 1 259 . 23 ALA C C 174.2 . 1 260 . 23 ALA CA C 52.0 . 1 261 . 23 ALA CB C 18.0 . 1 262 . 23 ALA N N 124.7 . 1 263 . 24 TYR H H 7.94 . 1 264 . 24 TYR HA H 4.99 . 1 265 . 24 TYR HB2 H 2.74 . 1 266 . 24 TYR HB3 H 2.74 . 1 267 . 24 TYR HD1 H 7.00 . 1 268 . 24 TYR HD2 H 7.00 . 1 269 . 24 TYR C C 174.5 . 1 270 . 24 TYR CA C 57.9 . 1 271 . 24 TYR CB C 41.9 . 1 272 . 24 TYR N N 124.8 . 1 273 . 25 GLY H H 8.30 . 1 274 . 25 GLY HA2 H 3.46 . 2 275 . 25 GLY HA3 H 2.60 . 2 276 . 25 GLY C C 172.8 . 1 277 . 25 GLY CA C 44.8 . 1 278 . 25 GLY N N 113.3 . 1 279 . 26 CYS H H 11.17 . 1 280 . 26 CYS HA H 4.76 . 1 281 . 26 CYS C C 176.1 . 1 282 . 26 CYS CA C 56.7 . 1 283 . 26 CYS CB C 33.2 . 1 284 . 26 CYS N N 122.3 . 1 285 . 27 TYR H H 7.97 . 1 286 . 27 TYR HA H 4.14 . 1 287 . 27 TYR C C 181.8 . 1 288 . 27 TYR N N 131.2 . 1 289 . 28 CYS C C 179.4 . 1 290 . 28 CYS CA C 50.4 . 1 291 . 29 GLY H H 7.24 . 1 292 . 29 GLY HA2 H 3.11 . 1 293 . 29 GLY HA3 H 3.11 . 1 294 . 29 GLY C C 172.8 . 1 295 . 29 GLY CA C 45.3 . 1 296 . 29 GLY N N 116.4 . 1 297 . 30 TRP H H 8.02 . 1 298 . 30 TRP HA H 4.76 . 1 299 . 30 TRP HB2 H 3.20 . 1 300 . 30 TRP HB3 H 3.20 . 1 301 . 30 TRP HD1 H 7.46 . 1 302 . 30 TRP HE1 H 10.04 . 1 303 . 30 TRP HE3 H 7.25 . 1 304 . 30 TRP HZ2 H 7.22 . 1 305 . 30 TRP HZ3 H 7.22 . 1 306 . 30 TRP C C 176.4 . 1 307 . 30 TRP CA C 57.5 . 1 308 . 30 TRP CB C 29.7 . 1 309 . 30 TRP N N 120.8 . 1 310 . 30 TRP NE1 N 130.0 . 1 311 . 31 GLY H H 8.36 . 1 312 . 31 GLY HA2 H 3.67 . 1 313 . 31 GLY HA3 H 3.67 . 1 314 . 31 GLY C C 174.3 . 1 315 . 31 GLY CA C 46.4 . 1 316 . 31 GLY N N 110.7 . 1 317 . 32 GLY H H 7.83 . 1 318 . 32 GLY HA2 H 3.54 . 1 319 . 32 GLY HA3 H 3.54 . 1 320 . 32 GLY C C 172.7 . 1 321 . 32 GLY CA C 46.4 . 1 322 . 32 GLY N N 107.7 . 1 323 . 33 GLN H H 6.76 . 1 324 . 33 GLN HA H 4.44 . 1 325 . 33 GLN HB2 H 2.11 . 2 326 . 33 GLN HB3 H 1.82 . 2 327 . 33 GLN HG2 H 2.01 . 1 328 . 33 GLN HG3 H 2.01 . 1 329 . 33 GLN HE21 H 7.28 . 2 330 . 33 GLN HE22 H 6.70 . 2 331 . 33 GLN C C 173.1 . 1 332 . 33 GLN CA C 55.3 . 1 333 . 33 GLN CB C 31.5 . 1 334 . 33 GLN CG C 34.8 . 1 335 . 33 GLN N N 117.7 . 1 336 . 33 GLN NE2 N 112.9 . 1 337 . 34 GLY H H 8.16 . 1 338 . 34 GLY HA2 H 4.08 . 2 339 . 34 GLY HA3 H 3.86 . 2 340 . 34 GLY C C 175.7 . 1 341 . 34 GLY CA C 45.6 . 1 342 . 34 GLY N N 103.4 . 1 343 . 35 ARG H H 8.93 . 1 344 . 35 ARG HA H 4.76 . 1 345 . 35 ARG HB2 H 1.55 . 1 346 . 35 ARG HB3 H 1.55 . 1 347 . 35 ARG HG2 H 1.44 . 1 348 . 35 ARG HG3 H 1.44 . 1 349 . 35 ARG HD2 H 3.01 . 1 350 . 35 ARG HD3 H 3.01 . 1 351 . 35 ARG C C 173.2 . 1 352 . 35 ARG CA C 53.4 . 1 353 . 35 ARG CB C 31.3 . 1 354 . 35 ARG CG C 32.0 . 1 355 . 35 ARG CD C 43.7 . 1 356 . 35 ARG N N 127.2 . 1 357 . 36 PRO HA H 4.60 . 1 358 . 36 PRO HB2 H 1.67 . 1 359 . 36 PRO HB3 H 1.67 . 1 360 . 36 PRO HG2 H 1.60 . 2 361 . 36 PRO HG3 H 1.41 . 2 362 . 36 PRO HD2 H 3.02 . 1 363 . 36 PRO HD3 H 3.02 . 1 364 . 36 PRO C C 178.4 . 1 365 . 36 PRO CA C 62.4 . 1 366 . 36 PRO CB C 31.0 . 1 367 . 36 PRO CG C 31.9 . 1 368 . 36 PRO CD C 42.6 . 1 369 . 37 LYS H H 10.82 . 1 370 . 37 LYS HA H 3.88 . 1 371 . 37 LYS HB2 H 1.08 . 2 372 . 37 LYS HB3 H 0.72 . 2 373 . 37 LYS HG2 H 1.09 . 1 374 . 37 LYS HG3 H 1.09 . 1 375 . 37 LYS HD2 H 1.57 . 1 376 . 37 LYS HD3 H 1.57 . 1 377 . 37 LYS HE2 H 2.74 . 1 378 . 37 LYS HE3 H 2.74 . 1 379 . 37 LYS C C 175.6 . 1 380 . 37 LYS CA C 56.3 . 1 381 . 37 LYS CB C 32.7 . 1 382 . 37 LYS CG C 24.6 . 1 383 . 37 LYS CD C 31.5 . 1 384 . 37 LYS CE C 42.5 . 1 385 . 37 LYS N N 124.3 . 1 386 . 38 ASP H H 7.37 . 1 387 . 38 ASP HA H 4.41 . 1 388 . 38 ASP HB2 H 3.08 . 2 389 . 38 ASP HB3 H 2.73 . 2 390 . 38 ASP C C 175.8 . 1 391 . 38 ASP CA C 52.3 . 1 392 . 38 ASP CB C 40.9 . 1 393 . 38 ASP N N 116.4 . 1 394 . 39 ALA H H 8.56 . 1 395 . 39 ALA HA H 3.98 . 1 396 . 39 ALA HB H 1.28 . 1 397 . 39 ALA C C 179.6 . 1 398 . 39 ALA CA C 56.5 . 1 399 . 39 ALA CB C 19.1 . 1 400 . 39 ALA N N 120.8 . 1 401 . 40 THR H H 8.51 . 1 402 . 40 THR HA H 3.72 . 1 403 . 40 THR HB H 4.16 . 1 404 . 40 THR HG2 H 0.92 . 1 405 . 40 THR C C 175.7 . 1 406 . 40 THR CA C 70.5 . 1 407 . 40 THR CB C 70.4 . 1 408 . 40 THR CG2 C 22.7 . 1 409 . 40 THR N N 118.3 . 1 410 . 41 ASP H H 8.85 . 1 411 . 41 ASP HA H 5.28 . 1 412 . 41 ASP HB2 H 2.75 . 1 413 . 41 ASP HB3 H 2.75 . 1 414 . 41 ASP C C 179.9 . 1 415 . 41 ASP CA C 56.4 . 1 416 . 41 ASP CB C 41.8 . 1 417 . 41 ASP N N 121.8 . 1 418 . 42 ARG H H 8.63 . 1 419 . 42 ARG HA H 3.87 . 1 420 . 42 ARG HB2 H 2.03 . 2 421 . 42 ARG HB3 H 1.53 . 2 422 . 42 ARG HG2 H 1.73 . 1 423 . 42 ARG HG3 H 1.73 . 1 424 . 42 ARG HD2 H 3.14 . 2 425 . 42 ARG HD3 H 2.93 . 2 426 . 42 ARG C C 178.0 . 1 427 . 42 ARG CA C 60.6 . 1 428 . 42 ARG CB C 29.0 . 1 429 . 42 ARG CG C 29.2 . 1 430 . 42 ARG CD C 43.0 . 1 431 . 42 ARG N N 119.6 . 1 432 . 43 CYS H H 8.48 . 1 433 . 43 CYS HA H 4.21 . 1 434 . 43 CYS HB2 H 2.49 . 1 435 . 43 CYS HB3 H 2.49 . 1 436 . 43 CYS C C 179.1 . 1 437 . 43 CYS CA C 57.4 . 1 438 . 43 CYS CB C 37.4 . 1 439 . 43 CYS N N 119.1 . 1 440 . 44 CYS H H 8.06 . 1 441 . 44 CYS HA H 4.05 . 1 442 . 44 CYS HB2 H 1.98 . 1 443 . 44 CYS HB3 H 1.98 . 1 444 . 44 CYS C C 175.1 . 1 445 . 44 CYS CA C 59.5 . 1 446 . 44 CYS CB C 44.7 . 1 447 . 44 CYS N N 120.2 . 1 448 . 45 PHE H H 8.56 . 1 449 . 45 PHE HA H 3.76 . 1 450 . 45 PHE HB2 H 2.92 . 2 451 . 45 PHE HB3 H 2.12 . 2 452 . 45 PHE HD1 H 7.10 . 1 453 . 45 PHE HD2 H 7.10 . 1 454 . 45 PHE C C 176.0 . 1 455 . 45 PHE CA C 61.6 . 1 456 . 45 PHE CB C 39.6 . 1 457 . 45 PHE N N 125.0 . 1 458 . 46 VAL H H 8.74 . 1 459 . 46 VAL HA H 2.95 . 1 460 . 46 VAL HB H 1.86 . 1 461 . 46 VAL HG1 H 1.39 . 1 462 . 46 VAL HG2 H 1.39 . 1 463 . 46 VAL C C 177.7 . 1 464 . 46 VAL CA C 67.1 . 1 465 . 46 VAL CB C 31.6 . 1 466 . 46 VAL CG1 C 25.4 . 1 467 . 46 VAL CG2 C 25.4 . 1 468 . 46 VAL N N 119.9 . 1 469 . 47 HIS H H 7.71 . 1 470 . 47 HIS HA H 4.30 . 1 471 . 47 HIS HB2 H 2.83 . 1 472 . 47 HIS HB3 H 2.83 . 1 473 . 47 HIS HD2 H 6.75 . 1 474 . 47 HIS HE1 H 8.18 . 1 475 . 47 HIS C C 175.7 . 1 476 . 47 HIS CA C 60.1 . 1 477 . 47 HIS CB C 28.1 . 1 478 . 47 HIS N N 119.8 . 1 479 . 48 ASP H H 8.17 . 1 480 . 48 ASP HA H 4.12 . 1 481 . 48 ASP HB2 H 3.00 . 2 482 . 48 ASP HB3 H 2.79 . 2 483 . 48 ASP C C 179.4 . 1 484 . 48 ASP CA C 56.9 . 1 485 . 48 ASP CB C 37.9 . 1 486 . 48 ASP N N 120.0 . 1 487 . 49 CYS H H 8.17 . 1 488 . 49 CYS HA H 4.14 . 1 489 . 49 CYS HB2 H 2.66 . 1 490 . 49 CYS HB3 H 2.66 . 1 491 . 49 CYS C C 176.4 . 1 492 . 49 CYS CA C 58.2 . 1 493 . 49 CYS CB C 37.5 . 1 494 . 49 CYS N N 120.4 . 1 495 . 50 CYS H H 8.63 . 1 496 . 50 CYS HA H 3.94 . 1 497 . 50 CYS HB2 H 3.19 . 1 498 . 50 CYS HB3 H 3.19 . 1 499 . 50 CYS C C 178.3 . 1 500 . 50 CYS CA C 61.9 . 1 501 . 50 CYS CB C 36.9 . 1 502 . 50 CYS N N 123.1 . 1 503 . 51 TYR H H 8.19 . 1 504 . 51 TYR HA H 4.19 . 1 505 . 51 TYR HB2 H 3.14 . 2 506 . 51 TYR HB3 H 2.94 . 2 507 . 51 TYR HD1 H 6.75 . 1 508 . 51 TYR HD2 H 6.75 . 1 509 . 51 TYR C C 179.4 . 1 510 . 51 TYR CA C 58.8 . 1 511 . 51 TYR CB C 36.5 . 1 512 . 51 TYR N N 119.4 . 1 513 . 52 GLY H H 7.94 . 1 514 . 52 GLY HA2 H 3.89 . 1 515 . 52 GLY HA3 H 3.89 . 1 516 . 52 GLY C C 174.5 . 1 517 . 52 GLY CA C 46.8 . 1 518 . 52 GLY N N 106.1 . 1 519 . 53 LYS H H 7.16 . 1 520 . 53 LYS HA H 4.27 . 1 521 . 53 LYS HB2 H 1.89 . 2 522 . 53 LYS HB3 H 1.79 . 2 523 . 53 LYS HG2 H 1.27 . 1 524 . 53 LYS HG3 H 1.27 . 1 525 . 53 LYS HD2 H 1.48 . 1 526 . 53 LYS HD3 H 1.48 . 1 527 . 53 LYS HE2 H 2.78 . 1 528 . 53 LYS HE3 H 2.78 . 1 529 . 53 LYS C C 176.5 . 1 530 . 53 LYS CA C 56.3 . 1 531 . 53 LYS CB C 33.1 . 1 532 . 53 LYS CG C 25.4 . 1 533 . 53 LYS CD C 25.6 . 1 534 . 53 LYS CE C 42.6 . 1 535 . 53 LYS N N 117.5 . 1 536 . 54 VAL H H 7.51 . 1 537 . 54 VAL HA H 3.85 . 1 538 . 54 VAL HB H 2.11 . 1 539 . 54 VAL HG1 H 0.76 . 2 540 . 54 VAL HG2 H 0.71 . 2 541 . 54 VAL C C 175.1 . 1 542 . 54 VAL CA C 63.8 . 1 543 . 54 VAL CB C 31.5 . 1 544 . 54 VAL CG1 C 21.9 . 2 545 . 54 VAL CG2 C 24.1 . 2 546 . 54 VAL N N 122.5 . 1 547 . 55 THR H H 8.28 . 1 548 . 55 THR HA H 4.59 . 1 549 . 55 THR HB H 4.05 . 1 550 . 55 THR HG2 H 1.03 . 1 551 . 55 THR C C 175.2 . 1 552 . 55 THR CA C 61.5 . 1 553 . 55 THR CB C 71.0 . 1 554 . 55 THR CG2 C 21.5 . 1 555 . 55 THR N N 119.1 . 1 556 . 56 GLY H H 8.60 . 1 557 . 56 GLY HA2 H 4.02 . 2 558 . 56 GLY HA3 H 3.79 . 2 559 . 56 GLY C C 173.4 . 1 560 . 56 GLY CA C 45.7 . 1 561 . 56 GLY N N 111.7 . 1 562 . 57 CYS H H 7.51 . 1 563 . 57 CYS HA H 4.74 . 1 564 . 57 CYS HB2 H 3.38 . 2 565 . 57 CYS HB3 H 3.17 . 2 566 . 57 CYS C C 170.8 . 1 567 . 57 CYS CA C 57.0 . 1 568 . 57 CYS CB C 36.6 . 1 569 . 57 CYS N N 113.5 . 1 570 . 58 ASN H H 8.99 . 1 571 . 58 ASN HA H 5.07 . 1 572 . 58 ASN HB2 H 1.76 . 1 573 . 58 ASN HB3 H 1.76 . 1 574 . 58 ASN HD21 H 7.78 . 2 575 . 58 ASN HD22 H 7.07 . 2 576 . 58 ASN C C 173.3 . 1 577 . 58 ASN CA C 50.6 . 1 578 . 58 ASN CB C 40.2 . 1 579 . 58 ASN N N 119.3 . 1 580 . 58 ASN ND2 N 115.2 . 1 581 . 59 PRO HA H 3.92 . 1 582 . 59 PRO HB2 H 0.81 . 2 583 . 59 PRO HB3 H 0.40 . 2 584 . 59 PRO HG2 H 1.46 . 1 585 . 59 PRO HG3 H 1.46 . 1 586 . 59 PRO HD2 H 4.22 . 1 587 . 59 PRO HD3 H 4.22 . 1 588 . 59 PRO C C 175.1 . 1 589 . 59 PRO CA C 64.4 . 1 590 . 59 PRO CB C 31.5 . 1 591 . 59 PRO CG C 29.4 . 1 592 . 59 PRO CD C 59.9 . 1 593 . 60 LYS H H 7.27 . 1 594 . 60 LYS HA H 4.16 . 1 595 . 60 LYS HB2 H 1.73 . 1 596 . 60 LYS HB3 H 1.73 . 1 597 . 60 LYS HG2 H 1.30 . 1 598 . 60 LYS HG3 H 1.30 . 1 599 . 60 LYS HD2 H 1.62 . 1 600 . 60 LYS HD3 H 1.62 . 1 601 . 60 LYS HE2 H 2.84 . 1 602 . 60 LYS HE3 H 2.84 . 1 603 . 60 LYS C C 178.5 . 1 604 . 60 LYS CA C 59.3 . 1 605 . 60 LYS CB C 33.5 . 1 606 . 60 LYS CG C 25.4 . 1 607 . 60 LYS CD C 29.6 . 1 608 . 60 LYS CE C 42.5 . 1 609 . 60 LYS N N 111.2 . 1 610 . 61 MET H H 6.97 . 1 611 . 61 MET HA H 4.63 . 1 612 . 61 MET HB2 H 2.00 . 2 613 . 61 MET HB3 H 1.58 . 2 614 . 61 MET HG2 H 2.47 . 2 615 . 61 MET HG3 H 2.28 . 2 616 . 61 MET C C 176.5 . 1 617 . 61 MET CA C 55.4 . 1 618 . 61 MET CB C 35.4 . 1 619 . 61 MET CG C 32.3 . 1 620 . 61 MET N N 114.2 . 1 621 . 62 ASP H H 8.44 . 1 622 . 62 ASP HA H 4.63 . 1 623 . 62 ASP HB2 H 2.53 . 2 624 . 62 ASP HB3 H 1.97 . 2 625 . 62 ASP C C 175.9 . 1 626 . 62 ASP CA C 56.4 . 1 627 . 62 ASP CB C 41.0 . 1 628 . 62 ASP N N 120.6 . 1 629 . 63 ILE H H 8.63 . 1 630 . 63 ILE HA H 3.87 . 1 631 . 63 ILE HB H 1.60 . 1 632 . 63 ILE HD1 H 0.79 . 1 633 . 63 ILE C C 175.6 . 1 634 . 63 ILE CA C 61.4 . 1 635 . 63 ILE CB C 39.5 . 1 636 . 63 ILE CG1 C 24.4 . 1 637 . 63 ILE CG2 C 18.2 . 1 638 . 63 ILE CD1 C 13.7 . 1 639 . 63 ILE N N 124.4 . 1 640 . 64 TYR H H 8.40 . 1 641 . 64 TYR HA H 5.21 . 1 642 . 64 TYR HB2 H 3.44 . 2 643 . 64 TYR HB3 H 2.60 . 2 644 . 64 TYR HD1 H 6.65 . 1 645 . 64 TYR HD2 H 6.65 . 1 646 . 64 TYR C C 175.9 . 1 647 . 64 TYR CA C 54.4 . 1 648 . 64 TYR CB C 41.4 . 1 649 . 64 TYR N N 125.6 . 1 650 . 65 THR H H 8.80 . 1 651 . 65 THR HA H 4.66 . 1 652 . 65 THR HB H 3.74 . 1 653 . 65 THR HG2 H 1.08 . 1 654 . 65 THR C C 173.2 . 1 655 . 65 THR CA C 62.5 . 1 656 . 65 THR CB C 71.1 . 1 657 . 65 THR CG2 C 21.8 . 1 658 . 65 THR N N 117.6 . 1 659 . 66 TYR H H 8.44 . 1 660 . 66 TYR HA H 5.49 . 1 661 . 66 TYR HB2 H 3.16 . 2 662 . 66 TYR HB3 H 2.85 . 2 663 . 66 TYR HD1 H 6.85 . 1 664 . 66 TYR HD2 H 6.85 . 1 665 . 66 TYR HE1 H 5.57 . 1 666 . 66 TYR HE2 H 5.57 . 1 667 . 66 TYR C C 172.6 . 1 668 . 66 TYR CA C 56.8 . 1 669 . 66 TYR CB C 41.5 . 1 670 . 66 TYR N N 123.9 . 1 671 . 67 SER H H 8.85 . 1 672 . 67 SER HA H 4.55 . 1 673 . 67 SER HB2 H 3.68 . 1 674 . 67 SER HB3 H 3.68 . 1 675 . 67 SER C C 172.6 . 1 676 . 67 SER CA C 56.7 . 1 677 . 67 SER CB C 66.4 . 1 678 . 67 SER N N 114.9 . 1 679 . 68 VAL H H 8.59 . 1 680 . 68 VAL HA H 4.87 . 1 681 . 68 VAL HB H 1.93 . 1 682 . 68 VAL HG1 H 0.86 . 2 683 . 68 VAL HG2 H 0.63 . 2 684 . 68 VAL C C 175.4 . 1 685 . 68 VAL CA C 61.9 . 1 686 . 68 VAL CB C 32.6 . 1 687 . 68 VAL CG1 C 21.8 . 2 688 . 68 VAL CG2 C 21.6 . 2 689 . 68 VAL N N 122.6 . 1 690 . 69 GLU H H 8.74 . 1 691 . 69 GLU HA H 4.59 . 1 692 . 69 GLU HB2 H 1.83 . 2 693 . 69 GLU HB3 H 1.74 . 2 694 . 69 GLU HG2 H 2.09 . 1 695 . 69 GLU HG3 H 2.09 . 1 696 . 69 GLU C C 175.9 . 1 697 . 69 GLU CA C 54.9 . 1 698 . 69 GLU CB C 31.3 . 1 699 . 69 GLU CG C 34.9 . 1 700 . 69 GLU N N 126.8 . 1 701 . 70 ASN H H 9.48 . 1 702 . 70 ASN HA H 4.29 . 1 703 . 70 ASN HB2 H 2.91 . 2 704 . 70 ASN HB3 H 2.61 . 2 705 . 70 ASN HD21 H 7.50 . 2 706 . 70 ASN HD22 H 6.82 . 2 707 . 70 ASN C C 175.0 . 1 708 . 70 ASN CA C 54.9 . 1 709 . 70 ASN CB C 37.8 . 1 710 . 70 ASN N N 126.0 . 1 711 . 70 ASN ND2 N 114.0 . 1 712 . 71 GLY H H 8.32 . 1 713 . 71 GLY HA2 H 4.04 . 2 714 . 71 GLY HA3 H 3.39 . 2 715 . 71 GLY C C 172.6 . 1 716 . 71 GLY CA C 45.8 . 1 717 . 71 GLY N N 103.1 . 1 718 . 72 ASN H H 7.82 . 1 719 . 72 ASN HA H 4.95 . 1 720 . 72 ASN HB2 H 2.63 . 1 721 . 72 ASN HB3 H 2.63 . 1 722 . 72 ASN HD21 H 7.38 . 2 723 . 72 ASN HD22 H 6.85 . 2 724 . 72 ASN C C 173.7 . 1 725 . 72 ASN CA C 51.7 . 1 726 . 72 ASN CB C 41.0 . 1 727 . 72 ASN N N 118.5 . 1 728 . 72 ASN ND2 N 115.3 . 1 729 . 73 ILE H H 8.61 . 1 730 . 73 ILE HA H 4.40 . 1 731 . 73 ILE HB H 1.50 . 1 732 . 73 ILE HD1 H 0.73 . 1 733 . 73 ILE C C 175.1 . 1 734 . 73 ILE CA C 61.3 . 1 735 . 73 ILE CB C 39.1 . 1 736 . 73 ILE CG1 C 28.3 . 1 737 . 73 ILE CG2 C 18.3 . 1 738 . 73 ILE CD1 C 14.8 . 1 739 . 73 ILE N N 124.0 . 1 740 . 74 VAL H H 9.25 . 1 741 . 74 VAL HA H 4.12 . 1 742 . 74 VAL HB H 1.90 . 1 743 . 74 VAL HG1 H 0.71 . 1 744 . 74 VAL HG2 H 0.71 . 1 745 . 74 VAL C C 176.4 . 1 746 . 74 VAL CA C 61.8 . 1 747 . 74 VAL CB C 33.5 . 1 748 . 74 VAL CG1 C 21.4 . 1 749 . 74 VAL CG2 C 21.4 . 1 750 . 74 VAL N N 130.1 . 1 751 . 75 CYS H H 9.08 . 1 752 . 75 CYS HA H 4.81 . 1 753 . 75 CYS HB2 H 2.97 . 1 754 . 75 CYS HB3 H 2.97 . 1 755 . 75 CYS C C 174.6 . 1 756 . 75 CYS CA C 56.2 . 1 757 . 75 CYS CB C 40.8 . 1 758 . 75 CYS N N 128.9 . 1 759 . 76 GLY H H 8.16 . 1 760 . 76 GLY HA2 H 4.52 . 2 761 . 76 GLY HA3 H 3.61 . 2 762 . 76 GLY C C 174.0 . 1 763 . 76 GLY CA C 44.6 . 1 764 . 76 GLY N N 112.0 . 1 765 . 77 GLY H H 8.46 . 1 766 . 77 GLY HA2 H 4.31 . 2 767 . 77 GLY HA3 H 3.96 . 2 768 . 77 GLY C C 174.1 . 1 769 . 77 GLY CA C 44.7 . 1 770 . 77 GLY N N 108.7 . 1 771 . 78 THR H H 8.32 . 1 772 . 78 THR HA H 4.31 . 1 773 . 78 THR HB H 3.78 . 1 774 . 78 THR HG2 H 1.05 . 1 775 . 78 THR C C 174.2 . 1 776 . 78 THR CA C 62.3 . 1 777 . 78 THR CB C 69.9 . 1 778 . 78 THR CG2 C 22.2 . 1 779 . 78 THR N N 108.0 . 1 780 . 79 ASN H H 8.02 . 1 781 . 79 ASN HA H 5.18 . 1 782 . 79 ASN HB2 H 2.82 . 1 783 . 79 ASN HB3 H 2.82 . 1 784 . 79 ASN HD21 H 7.95 . 2 785 . 79 ASN HD22 H 7.38 . 2 786 . 79 ASN C C 174.3 . 1 787 . 79 ASN CA C 51.1 . 1 788 . 79 ASN CB C 40.4 . 1 789 . 79 ASN N N 122.2 . 1 790 . 79 ASN ND2 N 122.8 . 1 791 . 80 PRO HA H 4.16 . 1 792 . 80 PRO C C 177.9 . 1 793 . 80 PRO CA C 65.7 . 1 794 . 80 PRO CB C 32.2 . 1 795 . 81 CYS H H 7.82 . 1 796 . 81 CYS HA H 4.23 . 1 797 . 81 CYS HB2 H 2.26 . 2 798 . 81 CYS HB3 H 1.89 . 2 799 . 81 CYS C C 176.6 . 1 800 . 81 CYS CA C 61.4 . 1 801 . 81 CYS CB C 40.2 . 1 802 . 81 CYS N N 120.2 . 1 803 . 82 LYS H H 7.84 . 1 804 . 82 LYS HA H 3.81 . 1 805 . 82 LYS HB2 H 3.08 . 1 806 . 82 LYS HB3 H 3.08 . 1 807 . 82 LYS C C 177.9 . 1 808 . 82 LYS CA C 61.5 . 1 809 . 82 LYS CB C 33.0 . 1 810 . 82 LYS N N 118.7 . 1 811 . 83 LYS H H 7.64 . 1 812 . 83 LYS HA H 4.23 . 1 813 . 83 LYS HB2 H 2.19 . 1 814 . 83 LYS HB3 H 2.19 . 1 815 . 83 LYS C C 177.9 . 1 816 . 83 LYS CA C 60.4 . 1 817 . 83 LYS CB C 33.0 . 1 818 . 83 LYS N N 118.7 . 1 819 . 84 GLN H H 7.63 . 1 820 . 84 GLN HA H 3.87 . 1 821 . 84 GLN HB2 H 1.74 . 2 822 . 84 GLN HB3 H 1.60 . 2 823 . 84 GLN HE21 H 7.93 . 2 824 . 84 GLN HE22 H 7.38 . 2 825 . 84 GLN C C 178.9 . 1 826 . 84 GLN CA C 59.6 . 1 827 . 84 GLN CB C 28.5 . 1 828 . 84 GLN N N 119.4 . 1 829 . 84 GLN NE2 N 112.9 . 1 830 . 85 ILE H H 7.64 . 1 831 . 85 ILE HA H 3.09 . 1 832 . 85 ILE HB H 1.89 . 1 833 . 85 ILE HD1 H 0.69 . 1 834 . 85 ILE C C 177.1 . 1 835 . 85 ILE CA C 67.1 . 1 836 . 85 ILE CB C 38.5 . 1 837 . 85 ILE CG1 C 28.1 . 1 838 . 85 ILE CG2 C 20.7 . 1 839 . 85 ILE CD1 C 16.4 . 1 840 . 85 ILE N N 118.5 . 1 841 . 86 CYS H H 7.38 . 1 842 . 86 CYS HA H 2.60 . 1 843 . 86 CYS HB2 H 1.99 . 1 844 . 86 CYS HB3 H 1.99 . 1 845 . 86 CYS C C 175.7 . 1 846 . 86 CYS CA C 60.5 . 1 847 . 86 CYS CB C 39.1 . 1 848 . 86 CYS N N 119.6 . 1 849 . 87 GLU H H 8.63 . 1 850 . 87 GLU HA H 3.88 . 1 851 . 87 GLU HB2 H 1.89 . 1 852 . 87 GLU HB3 H 1.89 . 1 853 . 87 GLU HG2 H 2.26 . 1 854 . 87 GLU HG3 H 2.26 . 1 855 . 87 GLU C C 180.9 . 1 856 . 87 GLU CA C 59.5 . 1 857 . 87 GLU CB C 28.4 . 1 858 . 87 GLU CG C 32.6 . 1 859 . 87 GLU N N 118.9 . 1 860 . 88 CYS H H 8.17 . 1 861 . 88 CYS HA H 4.47 . 1 862 . 88 CYS HB2 H 3.30 . 2 863 . 88 CYS HB3 H 2.68 . 2 864 . 88 CYS C C 178.4 . 1 865 . 88 CYS CA C 56.3 . 1 866 . 88 CYS CB C 36.4 . 1 867 . 88 CYS N N 118.4 . 1 868 . 89 ASP H H 8.28 . 1 869 . 89 ASP HA H 3.87 . 1 870 . 89 ASP HB2 H 2.80 . 2 871 . 89 ASP HB3 H 2.60 . 2 872 . 89 ASP C C 176.2 . 1 873 . 89 ASP CA C 58.2 . 1 874 . 89 ASP CB C 39.6 . 1 875 . 89 ASP N N 127.1 . 1 876 . 90 ARG H H 9.57 . 1 877 . 90 ARG HA H 3.61 . 1 878 . 90 ARG HB2 H 1.70 . 2 879 . 90 ARG HB3 H 1.44 . 2 880 . 90 ARG HG2 H 1.22 . 1 881 . 90 ARG HG3 H 1.22 . 1 882 . 90 ARG HD2 H 2.73 . 1 883 . 90 ARG HD3 H 2.73 . 1 884 . 90 ARG C C 176.8 . 1 885 . 90 ARG CA C 60.1 . 1 886 . 90 ARG CB C 30.9 . 1 887 . 90 ARG CG C 26.2 . 1 888 . 90 ARG CD C 42.1 . 1 889 . 90 ARG N N 122.5 . 1 890 . 91 ALA H H 7.90 . 1 891 . 91 ALA HA H 3.87 . 1 892 . 91 ALA HB H 1.34 . 1 893 . 91 ALA C C 180.3 . 1 894 . 91 ALA CA C 55.2 . 1 895 . 91 ALA CB C 18.3 . 1 896 . 91 ALA N N 118.1 . 1 897 . 92 ALA H H 7.29 . 1 898 . 92 ALA HA H 4.01 . 1 899 . 92 ALA HB H 0.84 . 1 900 . 92 ALA C C 176.6 . 1 901 . 92 ALA CA C 54.9 . 1 902 . 92 ALA CB C 19.0 . 1 903 . 92 ALA N N 119.9 . 1 904 . 93 ALA H H 8.11 . 1 905 . 93 ALA HA H 3.64 . 1 906 . 93 ALA HB H 1.11 . 1 907 . 93 ALA C C 178.9 . 1 908 . 93 ALA CA C 56.2 . 1 909 . 93 ALA CB C 17.5 . 1 910 . 93 ALA N N 119.9 . 1 911 . 94 ILE H H 7.81 . 1 912 . 94 ILE HA H 3.31 . 1 913 . 94 ILE HB H 1.58 . 1 914 . 94 ILE HD1 H 0.80 . 1 915 . 94 ILE C C 176.1 . 1 916 . 94 ILE CA C 66.0 . 1 917 . 94 ILE CB C 38.3 . 1 918 . 94 ILE CG1 C 24.9 . 1 919 . 94 ILE CG2 C 17.8 . 1 920 . 94 ILE CD1 C 14.4 . 1 921 . 94 ILE N N 116.8 . 1 922 . 95 CYS H H 7.79 . 1 923 . 95 CYS HA H 4.17 . 1 924 . 95 CYS HB2 H 3.14 . 2 925 . 95 CYS HB3 H 2.82 . 2 926 . 95 CYS C C 179.0 . 1 927 . 95 CYS CA C 61.1 . 1 928 . 95 CYS CB C 35.9 . 1 929 . 95 CYS N N 121.4 . 1 930 . 96 PHE H H 8.90 . 1 931 . 96 PHE HA H 4.41 . 1 932 . 96 PHE HB2 H 2.92 . 2 933 . 96 PHE HB3 H 2.77 . 2 934 . 96 PHE HD1 H 6.57 . 1 935 . 96 PHE HD2 H 6.57 . 1 936 . 96 PHE HE1 H 7.23 . 1 937 . 96 PHE HE2 H 7.23 . 1 938 . 96 PHE C C 179.5 . 1 939 . 96 PHE CA C 58.4 . 1 940 . 96 PHE CB C 37.5 . 1 941 . 96 PHE N N 120.4 . 1 942 . 97 ARG H H 7.67 . 1 943 . 97 ARG HA H 3.68 . 1 944 . 97 ARG HB2 H 2.17 . 2 945 . 97 ARG HB3 H 1.53 . 2 946 . 97 ARG HG2 H 2.17 . 2 947 . 97 ARG HG3 H 1.91 . 2 948 . 97 ARG HD2 H 3.29 . 2 949 . 97 ARG HD3 H 3.13 . 2 950 . 97 ARG C C 178.6 . 1 951 . 97 ARG CA C 60.2 . 1 952 . 97 ARG CB C 29.5 . 1 953 . 97 ARG CG C 18.9 . 1 954 . 97 ARG CD C 43.6 . 1 955 . 97 ARG N N 120.7 . 1 956 . 98 ASP H H 8.88 . 1 957 . 98 ASP HA H 4.41 . 1 958 . 98 ASP HB2 H 2.66 . 1 959 . 98 ASP HB3 H 2.66 . 1 960 . 98 ASP C C 176.9 . 1 961 . 98 ASP CA C 56.9 . 1 962 . 98 ASP CB C 39.8 . 1 963 . 98 ASP N N 119.7 . 1 964 . 99 ASN H H 7.59 . 1 965 . 99 ASN HA H 5.06 . 1 966 . 99 ASN HB2 H 2.71 . 2 967 . 99 ASN HB3 H 2.29 . 2 968 . 99 ASN HD21 H 7.29 . 2 969 . 99 ASN HD22 H 6.64 . 2 970 . 99 ASN C C 173.9 . 1 971 . 99 ASN CA C 54.2 . 1 972 . 99 ASN CB C 40.0 . 1 973 . 99 ASN N N 115.3 . 1 974 . 99 ASN ND2 N 115.9 . 1 975 . 100 LEU H H 7.43 . 1 976 . 100 LEU HA H 4.17 . 1 977 . 100 LEU HB2 H 1.78 . 2 978 . 100 LEU HB3 H 1.44 . 2 979 . 100 LEU HG H 1.89 . 1 980 . 100 LEU HD1 H 0.76 . 2 981 . 100 LEU HD2 H 0.62 . 2 982 . 100 LEU C C 179.5 . 1 983 . 100 LEU CA C 58.6 . 1 984 . 100 LEU CB C 42.8 . 1 985 . 100 LEU CG C 27.3 . 1 986 . 100 LEU CD1 C 25.8 . 2 987 . 100 LEU CD2 C 25.0 . 2 988 . 100 LEU N N 123.7 . 1 989 . 101 LYS H H 8.26 . 1 990 . 101 LYS HA H 4.17 . 1 991 . 101 LYS HB2 H 1.85 . 1 992 . 101 LYS HB3 H 1.85 . 1 993 . 101 LYS HG2 H 1.42 . 1 994 . 101 LYS HG3 H 1.42 . 1 995 . 101 LYS HD2 H 1.64 . 1 996 . 101 LYS HD3 H 1.64 . 1 997 . 101 LYS HE2 H 2.93 . 1 998 . 101 LYS HE3 H 2.93 . 1 999 . 101 LYS C C 177.6 . 1 1000 . 101 LYS CA C 59.1 . 1 1001 . 101 LYS CB C 32.4 . 1 1002 . 101 LYS CG C 25.4 . 1 1003 . 101 LYS CD C 29.6 . 1 1004 . 101 LYS CE C 42.4 . 1 1005 . 101 LYS N N 114.9 . 1 1006 . 102 THR H H 7.53 . 1 1007 . 102 THR HA H 4.64 . 1 1008 . 102 THR HB H 4.63 . 1 1009 . 102 THR HG2 H 1.15 . 1 1010 . 102 THR C C 173.7 . 1 1011 . 102 THR CA C 61.1 . 1 1012 . 102 THR CB C 70.5 . 1 1013 . 102 THR CG2 C 22.4 . 1 1014 . 102 THR N N 105.4 . 1 1015 . 103 TYR H H 7.52 . 1 1016 . 103 TYR HA H 4.01 . 1 1017 . 103 TYR HB2 H 3.08 . 2 1018 . 103 TYR HB3 H 2.89 . 2 1019 . 103 TYR HD1 H 7.04 . 1 1020 . 103 TYR HD2 H 7.04 . 1 1021 . 103 TYR C C 175.8 . 1 1022 . 103 TYR CA C 61.3 . 1 1023 . 103 TYR CB C 39.0 . 1 1024 . 103 TYR N N 127.4 . 1 1025 . 104 ASP H H 8.95 . 1 1026 . 104 ASP HA H 5.07 . 1 1027 . 104 ASP HB2 H 3.06 . 2 1028 . 104 ASP HB3 H 2.58 . 2 1029 . 104 ASP C C 174.9 . 1 1030 . 104 ASP CA C 52.5 . 1 1031 . 104 ASP CB C 41.2 . 1 1032 . 104 ASP N N 131.4 . 1 1033 . 105 SER H H 8.67 . 1 1034 . 105 SER HA H 4.11 . 1 1035 . 105 SER HB2 H 4.06 . 1 1036 . 105 SER HB3 H 4.06 . 1 1037 . 105 SER C C 176.2 . 1 1038 . 105 SER CA C 60.7 . 1 1039 . 105 SER CB C 63.2 . 1 1040 . 105 SER N N 119.9 . 1 1041 . 106 LYS H H 8.09 . 1 1042 . 106 LYS HA H 4.07 . 1 1043 . 106 LYS HB2 H 1.79 . 1 1044 . 106 LYS HB3 H 1.79 . 1 1045 . 106 LYS HG2 H 1.33 . 1 1046 . 106 LYS HG3 H 1.33 . 1 1047 . 106 LYS HD2 H 1.61 . 1 1048 . 106 LYS HD3 H 1.61 . 1 1049 . 106 LYS HE2 H 2.88 . 1 1050 . 106 LYS HE3 H 2.88 . 1 1051 . 106 LYS C C 178.1 . 1 1052 . 106 LYS CA C 59.6 . 1 1053 . 106 LYS CB C 32.0 . 1 1054 . 106 LYS CG C 25.5 . 1 1055 . 106 LYS CD C 29.3 . 1 1056 . 106 LYS CE C 42.5 . 1 1057 . 106 LYS N N 122.2 . 1 1058 . 107 THR H H 7.35 . 1 1059 . 107 THR HA H 3.87 . 1 1060 . 107 THR HB H 2.79 . 1 1061 . 107 THR HG2 H 0.18 . 1 1062 . 107 THR C C 176.3 . 1 1063 . 107 THR CA C 65.3 . 1 1064 . 107 THR CB C 69.2 . 1 1065 . 107 THR CG2 C 21.9 . 1 1066 . 107 THR N N 113.0 . 1 1067 . 108 TYR H H 7.40 . 1 1068 . 108 TYR HA H 4.51 . 1 1069 . 108 TYR HB2 H 1.65 . 1 1070 . 108 TYR HB3 H 1.65 . 1 1071 . 108 TYR HD1 H 6.80 . 1 1072 . 108 TYR HD2 H 6.80 . 1 1073 . 108 TYR C C 176.2 . 1 1074 . 108 TYR CA C 59.3 . 1 1075 . 108 TYR CB C 37.8 . 1 1076 . 108 TYR N N 114.8 . 1 1077 . 109 TRP H H 8.27 . 1 1078 . 109 TRP HA H 4.82 . 1 1079 . 109 TRP HB2 H 3.54 . 2 1080 . 109 TRP HB3 H 3.14 . 2 1081 . 109 TRP HD1 H 7.09 . 1 1082 . 109 TRP HE1 H 9.97 . 1 1083 . 109 TRP HE3 H 6.43 . 1 1084 . 109 TRP HZ2 H 7.33 . 1 1085 . 109 TRP HZ3 H 7.33 . 1 1086 . 109 TRP C C 176.1 . 1 1087 . 109 TRP CA C 59.3 . 1 1088 . 109 TRP CB C 29.3 . 1 1089 . 109 TRP N N 124.4 . 1 1090 . 109 TRP NE1 N 129.8 . 1 1091 . 110 LYS H H 8.79 . 1 1092 . 110 LYS HA H 3.16 . 1 1093 . 110 LYS HB2 H 1.41 . 2 1094 . 110 LYS HB3 H 1.27 . 2 1095 . 110 LYS HG2 H 0.38 . 2 1096 . 110 LYS HG3 H 0.01 . 2 1097 . 110 LYS HD2 H 1.05 . 1 1098 . 110 LYS HD3 H 1.05 . 1 1099 . 110 LYS HE2 H 2.37 . 2 1100 . 110 LYS HE3 H 2.27 . 2 1101 . 110 LYS C C 175.1 . 1 1102 . 110 LYS CA C 58.0 . 1 1103 . 110 LYS CB C 28.8 . 1 1104 . 110 LYS CG C 25.3 . 1 1105 . 110 LYS CD C 29.2 . 1 1106 . 110 LYS CE C 45.4 . 1 1107 . 110 LYS N N 125.2 . 1 1108 . 111 TYR H H 7.00 . 1 1109 . 111 TYR HA H 4.50 . 1 1110 . 111 TYR HB2 H 3.09 . 1 1111 . 111 TYR HB3 H 3.09 . 1 1112 . 111 TYR HD1 H 6.46 . 1 1113 . 111 TYR HD2 H 6.46 . 1 1114 . 111 TYR C C 175.8 . 1 1115 . 111 TYR CA C 56.5 . 1 1116 . 111 TYR CB C 39.5 . 1 1117 . 111 TYR N N 122.7 . 1 1118 . 112 PRO HA H 4.16 . 1 1119 . 112 PRO HB2 H 1.95 . 2 1120 . 112 PRO HB3 H 1.44 . 2 1121 . 112 PRO HG2 H 1.65 . 1 1122 . 112 PRO HG3 H 1.65 . 1 1123 . 112 PRO HD2 H 2.42 . 1 1124 . 112 PRO HD3 H 2.42 . 1 1125 . 112 PRO C C 177.1 . 1 1126 . 112 PRO CA C 63.1 . 1 1127 . 112 PRO CB C 31.7 . 1 1128 . 112 PRO CG C 27.9 . 1 1129 . 112 PRO CD C 35.8 . 1 1130 . 113 LYS H H 8.26 . 1 1131 . 113 LYS HA H 3.84 . 1 1132 . 113 LYS HB2 H 1.51 . 1 1133 . 113 LYS HB3 H 1.51 . 1 1134 . 113 LYS HG2 H 1.30 . 1 1135 . 113 LYS HG3 H 1.30 . 1 1136 . 113 LYS HD2 H 1.51 . 1 1137 . 113 LYS HD3 H 1.51 . 1 1138 . 113 LYS HE2 H 2.58 . 1 1139 . 113 LYS HE3 H 2.58 . 1 1140 . 113 LYS C C 179.2 . 1 1141 . 113 LYS CA C 59.3 . 1 1142 . 113 LYS CB C 31.7 . 1 1143 . 113 LYS CG C 25.8 . 1 1144 . 113 LYS CD C 32.0 . 1 1145 . 113 LYS CE C 42.5 . 1 1146 . 113 LYS N N 126.2 . 1 1147 . 114 LYS H H 8.13 . 1 1148 . 114 LYS HA H 3.92 . 1 1149 . 114 LYS HB2 H 2.12 . 2 1150 . 114 LYS HB3 H 1.61 . 2 1151 . 114 LYS HG2 H 1.08 . 1 1152 . 114 LYS HG3 H 1.08 . 1 1153 . 114 LYS HD2 H 1.44 . 1 1154 . 114 LYS HD3 H 1.44 . 1 1155 . 114 LYS HE2 H 2.73 . 1 1156 . 114 LYS HE3 H 2.73 . 1 1157 . 114 LYS C C 176.5 . 1 1158 . 114 LYS CA C 58.3 . 1 1159 . 114 LYS CB C 31.3 . 1 1160 . 114 LYS CG C 24.4 . 1 1161 . 114 LYS CD C 25.5 . 1 1162 . 114 LYS CE C 42.4 . 1 1163 . 114 LYS N N 117.7 . 1 1164 . 115 ASN H H 7.65 . 1 1165 . 115 ASN HA H 4.60 . 1 1166 . 115 ASN HB2 H 3.03 . 2 1167 . 115 ASN HB3 H 2.42 . 2 1168 . 115 ASN HD21 H 5.80 . 2 1169 . 115 ASN HD22 H 6.91 . 2 1170 . 115 ASN C C 175.7 . 1 1171 . 115 ASN CA C 53.7 . 1 1172 . 115 ASN CB C 37.9 . 1 1173 . 115 ASN N N 117.2 . 1 1174 . 115 ASN ND2 N 110.9 . 1 1175 . 116 CYS H H 7.81 . 1 1176 . 116 CYS HA H 4.95 . 1 1177 . 116 CYS HB2 H 3.35 . 2 1178 . 116 CYS HB3 H 3.08 . 2 1179 . 116 CYS C C 174.4 . 1 1180 . 116 CYS CA C 56.2 . 1 1181 . 116 CYS CB C 42.8 . 1 1182 . 116 CYS N N 122.1 . 1 1183 . 117 LYS H H 7.56 . 1 1184 . 117 LYS HA H 4.24 . 1 1185 . 117 LYS HB2 H 1.75 . 2 1186 . 117 LYS HB3 H 1.62 . 2 1187 . 117 LYS HG2 H 1.27 . 1 1188 . 117 LYS HG3 H 1.27 . 1 1189 . 117 LYS HD2 H 1.54 . 1 1190 . 117 LYS HD3 H 1.54 . 1 1191 . 117 LYS HE2 H 2.85 . 1 1192 . 117 LYS HE3 H 2.85 . 1 1193 . 117 LYS C C 175.7 . 1 1194 . 117 LYS CA C 56.4 . 1 1195 . 117 LYS CB C 32.6 . 1 1196 . 117 LYS CG C 25.3 . 1 1197 . 117 LYS CD C 29.2 . 1 1198 . 117 LYS CE C 42.5 . 1 1199 . 117 LYS N N 120.3 . 1 1200 . 118 GLU H H 8.02 . 1 1201 . 118 GLU HA H 4.21 . 1 1202 . 118 GLU HB2 H 1.96 . 2 1203 . 118 GLU HB3 H 1.79 . 2 1204 . 118 GLU HG2 H 2.09 . 1 1205 . 118 GLU HG3 H 2.09 . 1 1206 . 118 GLU C C 175.0 . 1 1207 . 118 GLU CA C 56.6 . 1 1208 . 118 GLU CB C 29.9 . 1 1209 . 118 GLU CG C 36.4 . 1 1210 . 118 GLU N N 120.4 . 1 1211 . 119 GLU H H 8.24 . 1 1212 . 119 GLU HA H 4.13 . 1 1213 . 119 GLU HB2 H 1.84 . 1 1214 . 119 GLU HB3 H 1.84 . 1 1215 . 119 GLU HG2 H 2.23 . 1 1216 . 119 GLU HG3 H 2.23 . 1 1217 . 119 GLU C C 176.4 . 1 1218 . 119 GLU CA C 57.4 . 1 1219 . 119 GLU CB C 29.5 . 1 1220 . 119 GLU CG C 35.6 . 1 1221 . 119 GLU N N 121.1 . 1 1222 . 120 SER H H 8.42 . 1 1223 . 120 SER HA H 4.30 . 1 1224 . 120 SER HB2 H 3.83 . 1 1225 . 120 SER HB3 H 3.83 . 1 1226 . 120 SER C C 174.3 . 1 1227 . 120 SER CA C 59.2 . 1 1228 . 120 SER CB C 64.5 . 1 1229 . 120 SER N N 119.8 . 1 1230 . 121 GLU H H 7.57 . 1 1231 . 121 GLU HA H 4.44 . 1 1232 . 121 GLU HB2 H 1.63 . 1 1233 . 121 GLU HB3 H 1.63 . 1 1234 . 121 GLU HG2 H 2.03 . 1 1235 . 121 GLU HG3 H 2.03 . 1 1236 . 121 GLU C C 173.1 . 1 1237 . 121 GLU CA C 54.1 . 1 1238 . 121 GLU CB C 29.9 . 1 1239 . 121 GLU CG C 35.1 . 1 1240 . 121 GLU N N 126.1 . 1 1241 . 122 PRO HA H 4.51 . 1 1242 . 122 PRO HB2 H 2.14 . 2 1243 . 122 PRO HB3 H 1.89 . 2 1244 . 122 PRO HG2 H 1.90 . 1 1245 . 122 PRO HG3 H 1.90 . 1 1246 . 122 PRO HD2 H 3.55 . 2 1247 . 122 PRO HD3 H 3.73 . 2 1248 . 122 PRO C C 176.9 . 1 1249 . 122 PRO CA C 63.1 . 1 1250 . 122 PRO CB C 31.9 . 1 1251 . 122 PRO CG C 27.4 . 1 1252 . 122 PRO CD C 51.3 . 1 1253 . 123 CYS H H 8.21 . 1 1254 . 123 CYS HA H 4.25 . 1 1255 . 123 CYS HB2 H 2.87 . 2 1256 . 123 CYS HB3 H 2.58 . 2 1257 . 123 CYS C C 179.9 . 1 1258 . 123 CYS CA C 57.8 . 1 1259 . 123 CYS CB C 39.2 . 1 1260 . 123 CYS N N 124.3 . 1 stop_ save_