data_5075 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Human Apolipoprotein(a) Kringle IV type 6 ; _BMRB_accession_number 5075 _BMRB_flat_file_name bmr5075.str _Entry_type original _Submission_date 2001-07-09 _Accession_date 2001-07-09 _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 Maderegger B. . . 2 Bermel W. . . 3 Hrzenjak A. . . 4 Kostner G. M. . 5 Sterk H. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 540 "13C chemical shifts" 388 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-02-13 original BMRB . stop_ _Original_release_date 2001-07-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of Human Apolipoprotein(a) Kringle IV type 6 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21639988 _PubMed_ID 11781107 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maderegger B. . . 2 Bermel W. . . 3 Hrzenjak A. . . 4 Kostner G. M. . 5 Sterk H. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 41 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 660 _Page_last 668 _Year 2002 _Details . loop_ _Keyword Lp(a) 'kringle domain' 'protein-protein recognition' stop_ save_ ################################## # Molecular system description # ################################## save_system_APO(a)_KIVT6 _Saveframe_category molecular_system _Mol_system_name 'Apolipoprotein(a) kringle IV type 6' _Abbreviation_common 'APO(a) KIVT6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Apolipoprotein(a)kringle IV type 6' $APO(a)_KIVT6 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_APO(a)_KIVT6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Apolipoprotein(a) kringle IV type6' _Abbreviation_common 'APO(a) KIVT6' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; ARIHHHHHHIEGRAPTEQSP GVQDCYHGDGQSYRGSFSTT VTGRTCQSWSSMTPHWHQRT TEYYPNGGLTRNYCRNPDAE ISPWCYTMDPNVRWEYCNLT QCPVTESSVLATSTAVSEQ ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ARG 3 ILE 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 ILE 11 GLU 12 GLY 13 ARG 14 ALA 15 PRO 16 THR 17 GLU 18 GLN 19 SER 20 PRO 21 GLY 22 VAL 23 GLN 24 ASP 25 CYS 26 TYR 27 HIS 28 GLY 29 ASP 30 GLY 31 GLN 32 SER 33 TYR 34 ARG 35 GLY 36 SER 37 PHE 38 SER 39 THR 40 THR 41 VAL 42 THR 43 GLY 44 ARG 45 THR 46 CYS 47 GLN 48 SER 49 TRP 50 SER 51 SER 52 MET 53 THR 54 PRO 55 HIS 56 TRP 57 HIS 58 GLN 59 ARG 60 THR 61 THR 62 GLU 63 TYR 64 TYR 65 PRO 66 ASN 67 GLY 68 GLY 69 LEU 70 THR 71 ARG 72 ASN 73 TYR 74 CYS 75 ARG 76 ASN 77 PRO 78 ASP 79 ALA 80 GLU 81 ILE 82 SER 83 PRO 84 TRP 85 CYS 86 TYR 87 THR 88 MET 89 ASP 90 PRO 91 ASN 92 VAL 93 ARG 94 TRP 95 GLU 96 TYR 97 CYS 98 ASN 99 LEU 100 THR 101 GLN 102 CYS 103 PRO 104 VAL 105 THR 106 GLU 107 SER 108 SER 109 VAL 110 LEU 111 ALA 112 THR 113 SER 114 THR 115 ALA 116 VAL 117 SER 118 GLU 119 GLN 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 PDB 1JFN 'Solution Structure Of Human Apolipoprotein(A) Kringle Iv Type 6' 100.00 119 100.00 100.00 9.06e-65 GenBank AAF03677 'apolipoprotein(a) [Homo sapiens]' 88.24 105 100.00 100.00 7.31e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $APO(a)_KIVT6 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 $APO(a)_KIVT6 'recombinant technology' . . . . . 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 $APO(a)_KIVT6 0.7 mM [U-15N] 'phosphate buffer' 15 mM . NaCl 50 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 $APO(a)_KIVT6 0.7 mM '[U-15N; U-13C]' 'phosphate buffer' 15 mM . NaCl 50 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.6 loop_ _Task processing stop_ _Details Delaglio save_ save_ANSIG _Saveframe_category software _Name ANSIG _Version 3.3 loop_ _Task 'data analysis' stop_ _Details Kraulis save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Task collection stop_ _Details Bruker save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.0 loop_ _Task refinement 'structure solution' stop_ _Details Bruenger save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 65 . mM pH 6.5 0.1 n/a pressure 1 . atm temperature 303 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details 'Abnormal high-field shift: 69 LEU HD2 -1.01.' loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' HNHA stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Apolipoprotein(a)kringle IV type 6' _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 . 9 HIS HA H 4.59 . 1 2 . 9 HIS C C 174.8 . 1 3 . 9 HIS CA C 56.2 . 1 4 . 9 HIS CB C 30.4 . 1 5 . 10 ILE H H 8.07 . 1 6 . 10 ILE HA H 4.10 . 1 7 . 10 ILE HB H 1.76 . 1 8 . 10 ILE HG12 H 1.35 . 2 9 . 10 ILE HG13 H 1.10 . 2 10 . 10 ILE HG2 H 0.71 . 1 11 . 10 ILE HD1 H 0.80 . 1 12 . 10 ILE C C 175.8 . 1 13 . 10 ILE CA C 61.0 . 1 14 . 10 ILE CB C 38.7 . 1 15 . 10 ILE CG1 C 26.8 . 1 16 . 10 ILE CG2 C 17.2 . 1 17 . 10 ILE CD1 C 12.3 . 1 18 . 10 ILE N N 122.8 . 1 19 . 11 GLU H H 8.53 . 1 20 . 11 GLU HA H 4.24 . 1 21 . 11 GLU HB2 H 2.06 . 2 22 . 11 GLU HB3 H 1.95 . 2 23 . 11 GLU HG2 H 2.26 . 1 24 . 11 GLU HG3 H 2.26 . 1 25 . 11 GLU C C 176.8 . 1 26 . 11 GLU CA C 56.8 . 1 27 . 11 GLU CB C 30.3 . 1 28 . 11 GLU N N 125.3 . 1 29 . 12 GLY H H 8.45 . 1 30 . 12 GLY HA2 H 3.93 . 1 31 . 12 GLY HA3 H 3.93 . 1 32 . 12 GLY C C 173.8 . 1 33 . 12 GLY CA C 45.3 . 1 34 . 12 GLY N N 110.3 . 1 35 . 13 ARG H H 8.04 . 1 36 . 13 ARG HA H 4.38 . 1 37 . 13 ARG HB2 H 1.81 . 2 38 . 13 ARG HB3 H 1.71 . 2 39 . 13 ARG HG2 H 1.59 . 1 40 . 13 ARG HG3 H 1.59 . 1 41 . 13 ARG HD2 H 3.16 . 1 42 . 13 ARG HD3 H 3.16 . 1 43 . 13 ARG C C 175.6 . 1 44 . 13 ARG CA C 55.5 . 1 45 . 13 ARG CB C 31.3 . 1 46 . 13 ARG N N 120.2 . 1 47 . 14 ALA H H 8.55 . 1 48 . 14 ALA HA H 4.54 . 1 49 . 14 ALA HB H 1.35 . 1 50 . 14 ALA CA C 50.6 . 1 51 . 14 ALA CB C 18.0 . 1 52 . 14 ALA N N 127.6 . 1 53 . 15 PRO HA H 4.46 . 1 54 . 15 PRO C C 177.1 . 1 55 . 15 PRO CA C 63.4 . 1 56 . 15 PRO CB C 31.9 . 1 57 . 16 THR H H 8.06 . 1 58 . 16 THR HA H 4.32 . 1 59 . 16 THR HB H 4.24 . 1 60 . 16 THR HG2 H 1.20 . 1 61 . 16 THR C C 174.7 . 1 62 . 16 THR CA C 61.8 . 1 63 . 16 THR CB C 69.7 . 1 64 . 16 THR N N 112.9 . 1 65 . 17 GLU H H 8.33 . 1 66 . 17 GLU HA H 4.30 . 1 67 . 17 GLU HB2 H 2.07 . 2 68 . 17 GLU HB3 H 1.94 . 2 69 . 17 GLU HG2 H 2.30 . 1 70 . 17 GLU HG3 H 2.30 . 1 71 . 17 GLU C C 176.2 . 1 72 . 17 GLU CA C 56.7 . 1 73 . 17 GLU CB C 30.4 . 1 74 . 17 GLU N N 122.7 . 1 75 . 18 GLN H H 8.37 . 1 76 . 18 GLN HA H 4.45 . 1 77 . 18 GLN HB2 H 2.08 . 2 78 . 18 GLN HB3 H 1.86 . 2 79 . 18 GLN HG2 H 2.25 . 1 80 . 18 GLN HG3 H 2.25 . 1 81 . 18 GLN C C 175.7 . 1 82 . 18 GLN CA C 55.7 . 1 83 . 18 GLN CB C 29.9 . 1 84 . 18 GLN N N 121.5 . 1 85 . 19 SER H H 8.40 . 1 86 . 19 SER HA H 4.35 . 1 87 . 19 SER HB2 H 3.84 . 1 88 . 19 SER HB3 H 3.84 . 1 89 . 19 SER CA C 56.5 . 1 90 . 19 SER CB C 63.7 . 1 91 . 19 SER N N 118.6 . 1 92 . 20 PRO HA H 4.45 . 1 93 . 20 PRO C C 177.5 . 1 94 . 20 PRO CA C 63.6 . 1 95 . 20 PRO CB C 31.9 . 1 96 . 21 GLY H H 8.42 . 1 97 . 21 GLY HA2 H 3.95 . 1 98 . 21 GLY HA3 H 3.95 . 1 99 . 21 GLY C C 174.2 . 1 100 . 21 GLY CA C 45.2 . 1 101 . 21 GLY N N 108.9 . 1 102 . 22 VAL H H 7.98 . 1 103 . 22 VAL HA H 4.10 . 1 104 . 22 VAL HB H 2.10 . 1 105 . 22 VAL HG1 H 0.93 . 1 106 . 22 VAL HG2 H 0.93 . 1 107 . 22 VAL C C 176.1 . 1 108 . 22 VAL CA C 62.5 . 1 109 . 22 VAL CB C 32.5 . 1 110 . 22 VAL N N 119.4 . 1 111 . 23 GLN H H 8.43 . 1 112 . 23 GLN HA H 4.35 . 1 113 . 23 GLN HB2 H 2.08 . 2 114 . 23 GLN HB3 H 1.91 . 2 115 . 23 GLN HG2 H 2.32 . 1 116 . 23 GLN HG3 H 2.32 . 1 117 . 23 GLN C C 175.4 . 1 118 . 23 GLN CA C 55.8 . 1 119 . 23 GLN CB C 30.9 . 1 120 . 23 GLN N N 123.5 . 1 121 . 24 ASP H H 8.21 . 1 122 . 24 ASP HA H 4.81 . 1 123 . 24 ASP HB2 H 2.64 . 1 124 . 24 ASP HB3 H 2.64 . 1 125 . 24 ASP C C 173.9 . 1 126 . 24 ASP CA C 53.8 . 1 127 . 24 ASP CB C 41.2 . 1 128 . 24 ASP N N 122.3 . 1 129 . 25 CYS H H 8.13 . 1 130 . 25 CYS HA H 5.06 . 1 131 . 25 CYS HB2 H 2.98 . 2 132 . 25 CYS HB3 H 2.87 . 2 133 . 25 CYS C C 171.5 . 1 134 . 25 CYS CA C 54.1 . 1 135 . 25 CYS CB C 43.8 . 1 136 . 25 CYS N N 116.0 . 1 137 . 26 TYR H H 7.87 . 1 138 . 26 TYR HA H 5.27 . 1 139 . 26 TYR HB2 H 3.13 . 2 140 . 26 TYR HB3 H 2.36 . 2 141 . 26 TYR HD1 H 6.44 . 1 142 . 26 TYR HD2 H 6.44 . 1 143 . 26 TYR HE1 H 6.74 . 1 144 . 26 TYR HE2 H 6.74 . 1 145 . 26 TYR C C 172.9 . 1 146 . 26 TYR CA C 54.2 . 1 147 . 26 TYR CB C 41.8 . 1 148 . 26 TYR CD1 C 134.2 . 1 149 . 26 TYR CD2 C 134.2 . 1 150 . 26 TYR CE1 C 117.8 . 1 151 . 26 TYR CE2 C 117.8 . 1 152 . 26 TYR N N 115.3 . 1 153 . 27 HIS H H 9.69 . 1 154 . 27 HIS HA H 4.82 . 1 155 . 27 HIS HB2 H 3.10 . 2 156 . 27 HIS HB3 H 2.94 . 2 157 . 27 HIS HD2 H 7.13 . 1 158 . 27 HIS C C 178.0 . 1 159 . 27 HIS CA C 55.5 . 1 160 . 27 HIS CB C 32.0 . 1 161 . 27 HIS CD2 C 119.2 . 1 162 . 27 HIS N N 122.8 . 1 163 . 28 GLY H H 9.42 . 1 164 . 28 GLY HA2 H 4.13 . 2 165 . 28 GLY HA3 H 3.82 . 2 166 . 28 GLY C C 174.4 . 1 167 . 28 GLY CA C 47.7 . 1 168 . 28 GLY N N 116.4 . 1 169 . 29 ASP H H 8.30 . 1 170 . 29 ASP HA H 4.76 . 1 171 . 29 ASP HB2 H 3.23 . 2 172 . 29 ASP HB3 H 2.60 . 2 173 . 29 ASP C C 178.4 . 1 174 . 29 ASP CA C 53.2 . 1 175 . 29 ASP CB C 40.2 . 1 176 . 29 ASP N N 124.9 . 1 177 . 30 GLY H H 9.25 . 1 178 . 30 GLY HA2 H 4.00 . 2 179 . 30 GLY HA3 H 3.68 . 2 180 . 30 GLY C C 176.7 . 1 181 . 30 GLY CA C 47.0 . 1 182 . 30 GLY N N 106.0 . 1 183 . 31 GLN H H 8.94 . 1 184 . 31 GLN HA H 4.35 . 1 185 . 31 GLN HB2 H 2.31 . 2 186 . 31 GLN HB3 H 2.24 . 2 187 . 31 GLN HG2 H 2.71 . 2 188 . 31 GLN HG3 H 2.57 . 2 189 . 31 GLN HE21 H 8.86 . 2 190 . 31 GLN HE22 H 6.97 . 2 191 . 31 GLN CA C 61.0 . 1 192 . 31 GLN CB C 29.5 . 1 193 . 31 GLN CG C 29.2 . 1 194 . 31 GLN N N 124.4 . 1 195 . 31 GLN NE2 N 115.5 . 1 196 . 32 SER C C 174.5 . 1 197 . 32 SER CA C 58.0 . 1 198 . 32 SER CB C 64.0 . 1 199 . 33 TYR H H 7.68 . 1 200 . 33 TYR HA H 4.42 . 1 201 . 33 TYR HB2 H 3.27 . 2 202 . 33 TYR HB3 H 3.11 . 2 203 . 33 TYR HD1 H 7.43 . 1 204 . 33 TYR HD2 H 7.43 . 1 205 . 33 TYR HE1 H 7.20 . 1 206 . 33 TYR HE2 H 7.20 . 1 207 . 33 TYR CA C 60.7 . 1 208 . 33 TYR CB C 38.9 . 1 209 . 33 TYR CD1 C 133.5 . 1 210 . 33 TYR CD2 C 133.5 . 1 211 . 33 TYR CE1 C 118.5 . 1 212 . 33 TYR CE2 C 118.5 . 1 213 . 33 TYR N N 124.0 . 1 214 . 35 GLY HA2 H 4.21 . 2 215 . 35 GLY HA3 H 3.76 . 2 216 . 35 GLY C C 173.9 . 1 217 . 35 GLY CA C 45.4 . 1 218 . 36 SER H H 8.64 . 1 219 . 36 SER HA H 3.33 . 1 220 . 36 SER HB2 H 3.62 . 2 221 . 36 SER HB3 H 3.27 . 2 222 . 36 SER C C 173.0 . 1 223 . 36 SER CA C 56.4 . 1 224 . 36 SER CB C 63.0 . 1 225 . 36 SER N N 112.5 . 1 226 . 37 PHE H H 7.75 . 1 227 . 37 PHE HA H 4.23 . 1 228 . 37 PHE HB2 H 3.46 . 2 229 . 37 PHE HB3 H 2.94 . 2 230 . 37 PHE HD1 H 7.47 . 1 231 . 37 PHE HD2 H 7.47 . 1 232 . 37 PHE HE1 H 7.51 . 1 233 . 37 PHE HE2 H 7.51 . 1 234 . 37 PHE HZ H 7.43 . 1 235 . 37 PHE C C 176.8 . 1 236 . 37 PHE CA C 61.2 . 1 237 . 37 PHE CB C 41.2 . 1 238 . 37 PHE CD1 C 131.4 . 1 239 . 37 PHE CD2 C 131.4 . 1 240 . 37 PHE CE1 C 129.1 . 1 241 . 37 PHE CE2 C 129.1 . 1 242 . 37 PHE CZ C 130.8 . 1 243 . 37 PHE N N 125.3 . 1 244 . 38 SER H H 8.33 . 1 245 . 38 SER HA H 5.16 . 1 246 . 38 SER HB2 H 4.23 . 1 247 . 38 SER HB3 H 4.23 . 1 248 . 38 SER C C 172.8 . 1 249 . 38 SER CA C 58.9 . 1 250 . 38 SER CB C 65.0 . 1 251 . 38 SER N N 118.5 . 1 252 . 39 THR H H 6.55 . 1 253 . 39 THR HA H 5.17 . 1 254 . 39 THR HB H 3.75 . 1 255 . 39 THR HG2 H 1.32 . 1 256 . 39 THR C C 174.8 . 1 257 . 39 THR CA C 61.1 . 1 258 . 39 THR CB C 71.7 . 1 259 . 39 THR CG2 C 21.8 . 1 260 . 39 THR N N 114.0 . 1 261 . 40 THR H H 9.31 . 1 262 . 40 THR HA H 4.81 . 1 263 . 40 THR HB H 4.50 . 1 264 . 40 THR HG1 H 6.58 . 1 265 . 40 THR HG2 H 1.09 . 1 266 . 40 THR C C 178.1 . 1 267 . 40 THR CA C 61.3 . 1 268 . 40 THR CB C 72.2 . 1 269 . 40 THR CG2 C 21.6 . 1 270 . 40 THR N N 116.4 . 1 271 . 41 VAL H H 8.38 . 1 272 . 41 VAL HA H 3.91 . 1 273 . 41 VAL HB H 2.27 . 1 274 . 41 VAL HG1 H 1.11 . 2 275 . 41 VAL HG2 H 0.98 . 2 276 . 41 VAL C C 176.5 . 1 277 . 41 VAL CA C 61.2 . 1 278 . 41 VAL CB C 31.9 . 1 279 . 41 VAL CG1 C 22.2 . 2 280 . 41 VAL CG2 C 19.2 . 2 281 . 41 VAL N N 113.9 . 1 282 . 42 THR H H 7.55 . 1 283 . 42 THR HA H 4.55 . 1 284 . 42 THR HB H 4.45 . 1 285 . 42 THR HG2 H 1.21 . 1 286 . 42 THR C C 175.5 . 1 287 . 42 THR CA C 61.7 . 1 288 . 42 THR CB C 68.7 . 1 289 . 42 THR N N 108.8 . 1 290 . 43 GLY H H 8.09 . 1 291 . 43 GLY HA2 H 4.23 . 2 292 . 43 GLY HA3 H 3.56 . 2 293 . 43 GLY C C 175.0 . 1 294 . 43 GLY CA C 45.3 . 1 295 . 43 GLY N N 110.3 . 1 296 . 44 ARG H H 7.64 . 1 297 . 44 ARG HA H 4.33 . 1 298 . 44 ARG HB2 H 1.83 . 2 299 . 44 ARG HB3 H 1.66 . 2 300 . 44 ARG HG2 H 1.79 . 2 301 . 44 ARG HG3 H 1.49 . 2 302 . 44 ARG HD2 H 3.45 . 2 303 . 44 ARG HD3 H 2.91 . 2 304 . 44 ARG HE H 8.29 . 1 305 . 44 ARG C C 175.2 . 1 306 . 44 ARG CA C 56.2 . 1 307 . 44 ARG CB C 30.7 . 1 308 . 44 ARG CD C 42.6 . 1 309 . 44 ARG N N 120.4 . 1 310 . 44 ARG NE N 87.6 . 1 311 . 45 THR H H 8.85 . 1 312 . 45 THR HA H 4.55 . 1 313 . 45 THR HB H 3.84 . 1 314 . 45 THR HG2 H 1.35 . 1 315 . 45 THR C C 174.1 . 1 316 . 45 THR CA C 63.0 . 1 317 . 45 THR CB C 70.2 . 1 318 . 45 THR CG2 C 21.9 . 1 319 . 45 THR N N 118.7 . 1 320 . 46 CYS H H 7.89 . 1 321 . 46 CYS HA H 4.54 . 1 322 . 46 CYS HB2 H 2.77 . 1 323 . 46 CYS HB3 H 2.77 . 1 324 . 46 CYS C C 176.1 . 1 325 . 46 CYS CA C 54.6 . 1 326 . 46 CYS CB C 37.6 . 1 327 . 46 CYS N N 124.7 . 1 328 . 47 GLN H H 9.57 . 1 329 . 47 GLN HA H 4.15 . 1 330 . 47 GLN HB2 H 1.76 . 2 331 . 47 GLN HB3 H 1.17 . 2 332 . 47 GLN HG2 H 2.47 . 2 333 . 47 GLN HG3 H 2.32 . 2 334 . 47 GLN HE21 H 8.56 . 2 335 . 47 GLN HE22 H 6.17 . 2 336 . 47 GLN C C 176.0 . 1 337 . 47 GLN CA C 55.1 . 1 338 . 47 GLN CB C 30.3 . 1 339 . 47 GLN N N 127.8 . 1 340 . 47 GLN NE2 N 110.6 . 1 341 . 48 SER H H 8.61 . 1 342 . 48 SER HA H 4.21 . 1 343 . 48 SER HB2 H 3.78 . 1 344 . 48 SER HB3 H 3.78 . 1 345 . 48 SER C C 175.9 . 1 346 . 48 SER CA C 59.3 . 1 347 . 48 SER CB C 63.1 . 1 348 . 48 SER N N 121.3 . 1 349 . 49 TRP H H 7.74 . 1 350 . 49 TRP HA H 4.24 . 1 351 . 49 TRP HB2 H 3.83 . 2 352 . 49 TRP HB3 H 2.85 . 2 353 . 49 TRP HD1 H 7.11 . 1 354 . 49 TRP HE1 H 11.51 . 1 355 . 49 TRP HE3 H 7.76 . 1 356 . 49 TRP HZ2 H 7.42 . 1 357 . 49 TRP HZ3 H 7.77 . 1 358 . 49 TRP HH2 H 4.92 . 1 359 . 49 TRP C C 176.7 . 1 360 . 49 TRP CA C 59.4 . 1 361 . 49 TRP CB C 29.3 . 1 362 . 49 TRP CD1 C 127.1 . 1 363 . 49 TRP CZ2 C 114.8 . 1 364 . 49 TRP N N 126.4 . 1 365 . 49 TRP NE1 N 131.2 . 1 366 . 50 SER H H 8.49 . 1 367 . 50 SER HA H 4.41 . 1 368 . 50 SER HB2 H 4.10 . 2 369 . 50 SER HB3 H 3.76 . 2 370 . 50 SER C C 175.0 . 1 371 . 50 SER CA C 58.4 . 1 372 . 50 SER CB C 63.5 . 1 373 . 50 SER N N 107.4 . 1 374 . 51 SER H H 7.75 . 1 375 . 51 SER HA H 4.59 . 1 376 . 51 SER HB2 H 4.12 . 2 377 . 51 SER HB3 H 3.89 . 2 378 . 51 SER C C 173.9 . 1 379 . 51 SER CA C 56.7 . 1 380 . 51 SER CB C 65.0 . 1 381 . 51 SER N N 116.9 . 1 382 . 52 MET H H 8.28 . 1 383 . 52 MET HA H 5.05 . 1 384 . 52 MET HB2 H 1.95 . 2 385 . 52 MET HB3 H 1.80 . 2 386 . 52 MET HG2 H 2.82 . 2 387 . 52 MET HG3 H 2.27 . 2 388 . 52 MET HE H 1.17 . 1 389 . 52 MET C C 174.6 . 1 390 . 52 MET CA C 52.6 . 1 391 . 52 MET CB C 34.0 . 1 392 . 52 MET N N 121.8 . 1 393 . 53 THR H H 7.84 . 1 394 . 53 THR HA H 4.45 . 1 395 . 53 THR HB H 3.83 . 1 396 . 53 THR HG2 H 1.08 . 1 397 . 53 THR CA C 57.8 . 1 398 . 53 THR CB C 71.5 . 1 399 . 53 THR CG2 C 20.6 . 1 400 . 53 THR N N 112.7 . 1 401 . 54 PRO HA H 4.50 . 1 402 . 54 PRO HB2 H 2.17 . 2 403 . 54 PRO HB3 H 1.06 . 2 404 . 54 PRO HG2 H 1.63 . 2 405 . 54 PRO HG3 H 1.54 . 2 406 . 54 PRO HD2 H 4.19 . 2 407 . 54 PRO HD3 H 3.38 . 2 408 . 54 PRO C C 176.9 . 1 409 . 54 PRO CA C 64.2 . 1 410 . 54 PRO CB C 33.9 . 1 411 . 54 PRO CG C 24.4 . 1 412 . 54 PRO CD C 50.6 . 1 413 . 55 HIS H H 8.74 . 1 414 . 55 HIS HA H 4.89 . 1 415 . 55 HIS HB2 H 3.01 . 2 416 . 55 HIS HB3 H 2.75 . 2 417 . 55 HIS HE1 H 8.35 . 1 418 . 55 HIS C C 173.6 . 1 419 . 55 HIS CA C 55.8 . 1 420 . 55 HIS CB C 31.1 . 1 421 . 55 HIS N N 122.1 . 1 422 . 56 TRP H H 8.95 . 1 423 . 56 TRP HA H 4.36 . 1 424 . 56 TRP HB2 H 3.30 . 1 425 . 56 TRP HB3 H 3.30 . 1 426 . 56 TRP HD1 H 7.22 . 1 427 . 56 TRP HE1 H 10.05 . 1 428 . 56 TRP HE3 H 6.97 . 1 429 . 56 TRP HZ2 H 7.40 . 1 430 . 56 TRP HZ3 H 6.87 . 1 431 . 56 TRP HH2 H 7.06 . 1 432 . 56 TRP C C 176.2 . 1 433 . 56 TRP CA C 58.8 . 1 434 . 56 TRP CB C 29.3 . 1 435 . 56 TRP CD1 C 127.3 . 1 436 . 56 TRP CZ2 C 113.5 . 1 437 . 56 TRP CZ3 C 124.5 . 1 438 . 56 TRP N N 126.7 . 1 439 . 56 TRP NE1 N 129.3 . 1 440 . 57 HIS H H 6.98 . 1 441 . 57 HIS HA H 4.23 . 1 442 . 57 HIS HB2 H 3.08 . 2 443 . 57 HIS HB3 H 2.23 . 2 444 . 57 HIS C C 171.9 . 1 445 . 57 HIS CA C 55.4 . 1 446 . 57 HIS CB C 34.3 . 1 447 . 57 HIS N N 126.6 . 1 448 . 58 GLN H H 8.42 . 1 449 . 58 GLN HA H 4.23 . 1 450 . 58 GLN HB2 H 1.58 . 2 451 . 58 GLN HB3 H 1.90 . 2 452 . 58 GLN HG2 H 1.92 . 1 453 . 58 GLN HG3 H 1.92 . 1 454 . 58 GLN CA C 54.3 . 1 455 . 58 GLN CB C 30.4 . 1 456 . 58 GLN CG C 29.7 . 1 457 . 58 GLN N N 115.3 . 1 458 . 60 THR HA H 5.05 . 1 459 . 60 THR HB H 4.57 . 1 460 . 60 THR HG2 H 1.07 . 1 461 . 60 THR C C 177.4 . 1 462 . 60 THR CA C 54.2 . 1 463 . 60 THR CB C 72.3 . 1 464 . 60 THR CG2 C 21.9 . 1 465 . 61 THR H H 8.91 . 1 466 . 61 THR HA H 4.19 . 1 467 . 61 THR HB H 3.81 . 1 468 . 61 THR HG2 H 1.33 . 1 469 . 61 THR C C 174.9 . 1 470 . 61 THR CA C 64.9 . 1 471 . 61 THR CB C 68.8 . 1 472 . 61 THR CG2 C 22.3 . 1 473 . 61 THR N N 114.5 . 1 474 . 62 GLU H H 7.75 . 1 475 . 62 GLU HA H 3.82 . 1 476 . 62 GLU HB2 H 1.69 . 2 477 . 62 GLU HB3 H 1.47 . 2 478 . 62 GLU HG2 H 1.93 . 2 479 . 62 GLU HG3 H 1.75 . 2 480 . 62 GLU C C 177.3 . 1 481 . 62 GLU CA C 59.0 . 1 482 . 62 GLU CB C 29.3 . 1 483 . 62 GLU N N 118.6 . 1 484 . 63 TYR H H 6.98 . 1 485 . 63 TYR HA H 4.31 . 1 486 . 63 TYR HB2 H 2.91 . 1 487 . 63 TYR HB3 H 2.91 . 1 488 . 63 TYR HD1 H 7.18 . 1 489 . 63 TYR HD2 H 7.18 . 1 490 . 63 TYR HE1 H 6.77 . 1 491 . 63 TYR HE2 H 6.77 . 1 492 . 63 TYR C C 175.4 . 1 493 . 63 TYR CA C 59.1 . 1 494 . 63 TYR CB C 40.3 . 1 495 . 63 TYR CD1 C 133.8 . 1 496 . 63 TYR CD2 C 133.8 . 1 497 . 63 TYR CE1 C 117.4 . 1 498 . 63 TYR CE2 C 117.4 . 1 499 . 63 TYR N N 116.0 . 1 500 . 64 TYR H H 8.10 . 1 501 . 64 TYR HA H 4.90 . 1 502 . 64 TYR HB2 H 2.78 . 2 503 . 64 TYR HB3 H 2.64 . 2 504 . 64 TYR HD1 H 7.21 . 1 505 . 64 TYR HD2 H 7.21 . 1 506 . 64 TYR HE1 H 6.97 . 1 507 . 64 TYR HE2 H 6.97 . 1 508 . 64 TYR CA C 55.9 . 1 509 . 64 TYR CB C 37.8 . 1 510 . 64 TYR CD1 C 134.8 . 1 511 . 64 TYR CD2 C 134.8 . 1 512 . 64 TYR CE1 C 117.5 . 1 513 . 64 TYR CE2 C 117.5 . 1 514 . 64 TYR N N 116.4 . 1 515 . 65 PRO HA H 4.52 . 1 516 . 65 PRO HB2 H 2.40 . 2 517 . 65 PRO HB3 H 1.93 . 2 518 . 65 PRO HG2 H 1.97 . 2 519 . 65 PRO HG3 H 1.85 . 2 520 . 65 PRO HD2 H 3.55 . 2 521 . 65 PRO HD3 H 3.19 . 2 522 . 65 PRO C C 177.9 . 1 523 . 65 PRO CA C 64.8 . 1 524 . 65 PRO CB C 31.9 . 1 525 . 65 PRO CG C 27.4 . 1 526 . 65 PRO CD C 50.7 . 1 527 . 66 ASN H H 8.81 . 1 528 . 66 ASN HA H 5.08 . 1 529 . 66 ASN HB2 H 3.00 . 2 530 . 66 ASN HB3 H 2.64 . 2 531 . 66 ASN HD21 H 7.59 . 2 532 . 66 ASN HD22 H 6.97 . 2 533 . 66 ASN C C 175.7 . 1 534 . 66 ASN CA C 52.5 . 1 535 . 66 ASN CB C 39.1 . 1 536 . 66 ASN N N 116.3 . 1 537 . 66 ASN ND2 N 113.7 . 1 538 . 67 GLY H H 7.70 . 1 539 . 67 GLY HA2 H 3.79 . 2 540 . 67 GLY HA3 H 3.48 . 2 541 . 67 GLY C C 173.6 . 1 542 . 67 GLY CA C 45.8 . 1 543 . 67 GLY N N 105.0 . 1 544 . 68 GLY H H 8.28 . 1 545 . 68 GLY HA2 H 4.25 . 2 546 . 68 GLY HA3 H 3.14 . 2 547 . 68 GLY C C 176.0 . 1 548 . 68 GLY CA C 47.0 . 1 549 . 68 GLY N N 109.4 . 1 550 . 69 LEU H H 8.45 . 1 551 . 69 LEU HA H 3.30 . 1 552 . 69 LEU HB2 H 1.58 . 2 553 . 69 LEU HB3 H 0.51 . 2 554 . 69 LEU HG H 0.87 . 1 555 . 69 LEU HD1 H 0.25 . 2 556 . 69 LEU HD2 H -1.01 . 2 557 . 69 LEU C C 175.1 . 1 558 . 69 LEU CA C 55.3 . 1 559 . 69 LEU CB C 37.7 . 1 560 . 69 LEU CG C 24.9 . 1 561 . 69 LEU CD1 C 25.1 . 1 562 . 69 LEU CD2 C 19.2 . 1 563 . 69 LEU N N 120.1 . 1 564 . 70 THR H H 7.36 . 1 565 . 70 THR HA H 4.40 . 1 566 . 70 THR HB H 3.91 . 1 567 . 70 THR HG2 H 1.16 . 1 568 . 70 THR C C 171.0 . 1 569 . 70 THR CA C 60.5 . 1 570 . 70 THR CB C 70.8 . 1 571 . 70 THR CG2 C 21.5 . 1 572 . 70 THR N N 121.4 . 1 573 . 71 ARG H H 8.87 . 1 574 . 71 ARG HA H 3.75 . 1 575 . 71 ARG HB2 H 0.65 . 2 576 . 71 ARG HB3 H 1.18 . 2 577 . 71 ARG HG2 H 1.58 . 2 578 . 71 ARG HG3 H 1.55 . 2 579 . 71 ARG HD2 H 3.11 . 1 580 . 71 ARG HD3 H 3.11 . 1 581 . 71 ARG C C 173.1 . 1 582 . 71 ARG CA C 56.9 . 1 583 . 71 ARG CB C 27.2 . 1 584 . 71 ARG N N 121.1 . 1 585 . 72 ASN H H 7.70 . 1 586 . 72 ASN HA H 4.66 . 1 587 . 72 ASN HB2 H 2.45 . 2 588 . 72 ASN HB3 H 2.07 . 2 589 . 72 ASN HD21 H 7.61 . 2 590 . 72 ASN HD22 H 6.95 . 2 591 . 72 ASN C C 172.6 . 1 592 . 72 ASN CA C 51.2 . 1 593 . 72 ASN CB C 37.5 . 1 594 . 72 ASN N N 123.1 . 1 595 . 72 ASN ND2 N 108.9 . 1 596 . 73 TYR H H 7.41 . 1 597 . 73 TYR HA H 4.83 . 1 598 . 73 TYR HB2 H 3.47 . 2 599 . 73 TYR HB3 H 2.91 . 2 600 . 73 TYR HD1 H 7.01 . 1 601 . 73 TYR HD2 H 7.01 . 1 602 . 73 TYR HE1 H 6.76 . 1 603 . 73 TYR HE2 H 6.76 . 1 604 . 73 TYR C C 177.2 . 1 605 . 73 TYR CA C 53.4 . 1 606 . 73 TYR CB C 37.6 . 1 607 . 73 TYR CD1 C 133.1 . 1 608 . 73 TYR CD2 C 133.1 . 1 609 . 73 TYR CE1 C 117.7 . 1 610 . 73 TYR CE2 C 117.7 . 1 611 . 73 TYR N N 114.7 . 1 612 . 74 CYS H H 9.13 . 1 613 . 74 CYS HA H 4.33 . 1 614 . 74 CYS HB2 H 3.41 . 2 615 . 74 CYS HB3 H 2.45 . 2 616 . 74 CYS C C 174.9 . 1 617 . 74 CYS CA C 59.8 . 1 618 . 74 CYS CB C 48.5 . 1 619 . 74 CYS N N 118.9 . 1 620 . 75 ARG H H 8.79 . 1 621 . 75 ARG HA H 5.10 . 1 622 . 75 ARG HB2 H 1.40 . 2 623 . 75 ARG HB3 H 1.19 . 2 624 . 75 ARG HG2 H 1.93 . 1 625 . 75 ARG HG3 H 1.93 . 1 626 . 75 ARG HD2 H 3.76 . 2 627 . 75 ARG HD3 H 3.14 . 2 628 . 75 ARG HE H 8.24 . 1 629 . 75 ARG C C 173.7 . 1 630 . 75 ARG CA C 52.8 . 1 631 . 75 ARG CB C 36.9 . 1 632 . 75 ARG N N 123.8 . 1 633 . 75 ARG NE N 86.4 . 1 634 . 76 ASN H H 8.14 . 1 635 . 76 ASN HA H 5.27 . 1 636 . 76 ASN HB2 H 2.42 . 2 637 . 76 ASN HB3 H 1.92 . 2 638 . 76 ASN HD21 H 6.92 . 2 639 . 76 ASN HD22 H 6.90 . 2 640 . 76 ASN CA C 49.3 . 1 641 . 76 ASN CB C 38.6 . 1 642 . 76 ASN N N 112.1 . 1 643 . 76 ASN ND2 N 107.2 . 1 644 . 77 PRO HD2 H 3.73 . 2 645 . 77 PRO HD3 H 3.52 . 2 646 . 77 PRO C C 175.9 . 1 647 . 77 PRO CA C 63.2 . 1 648 . 77 PRO CB C 31.2 . 1 649 . 78 ASP H H 8.90 . 1 650 . 78 ASP HA H 4.62 . 1 651 . 78 ASP HB2 H 3.01 . 2 652 . 78 ASP HB3 H 2.06 . 2 653 . 78 ASP C C 175.1 . 1 654 . 78 ASP CA C 53.0 . 1 655 . 78 ASP CB C 40.6 . 1 656 . 78 ASP N N 118.3 . 1 657 . 79 ALA H H 7.67 . 1 658 . 79 ALA HA H 3.77 . 1 659 . 79 ALA HB H 1.37 . 1 660 . 79 ALA C C 177.8 . 1 661 . 79 ALA CA C 53.9 . 1 662 . 79 ALA CB C 16.3 . 1 663 . 79 ALA N N 119.4 . 1 664 . 80 GLU H H 9.11 . 1 665 . 80 GLU HA H 4.25 . 1 666 . 80 GLU HB2 H 2.06 . 2 667 . 80 GLU HB3 H 1.98 . 2 668 . 80 GLU HG2 H 2.51 . 1 669 . 80 GLU HG3 H 2.51 . 1 670 . 80 GLU C C 178.4 . 1 671 . 80 GLU CA C 57.4 . 1 672 . 80 GLU CB C 31.9 . 1 673 . 80 GLU N N 120.3 . 1 674 . 81 ILE H H 9.16 . 1 675 . 81 ILE HA H 3.99 . 1 676 . 81 ILE HB H 1.85 . 1 677 . 81 ILE HG12 H 1.45 . 2 678 . 81 ILE HG13 H 1.30 . 2 679 . 81 ILE HG2 H 0.92 . 1 680 . 81 ILE HD1 H 0.77 . 1 681 . 81 ILE C C 175.1 . 1 682 . 81 ILE CA C 64.1 . 1 683 . 81 ILE CB C 38.6 . 1 684 . 81 ILE CG1 C 27.1 . 1 685 . 81 ILE CG2 C 18.2 . 1 686 . 81 ILE CD1 C 12.7 . 1 687 . 81 ILE N N 116.3 . 1 688 . 82 SER H H 7.49 . 1 689 . 82 SER HA H 4.43 . 1 690 . 82 SER HB2 H 3.52 . 2 691 . 82 SER HB3 H 3.65 . 2 692 . 82 SER CA C 57.2 . 1 693 . 82 SER CB C 62.6 . 1 694 . 82 SER N N 111.0 . 1 695 . 83 PRO HA H 4.17 . 1 696 . 83 PRO HB2 H 1.67 . 2 697 . 83 PRO HB3 H 1.35 . 2 698 . 83 PRO C C 172.7 . 1 699 . 83 PRO CA C 63.8 . 1 700 . 83 PRO CB C 32.4 . 1 701 . 84 TRP H H 9.44 . 1 702 . 84 TRP HA H 5.29 . 1 703 . 84 TRP HB2 H 3.55 . 2 704 . 84 TRP HB3 H 3.27 . 2 705 . 84 TRP HD1 H 7.57 . 1 706 . 84 TRP HE1 H 10.41 . 1 707 . 84 TRP HE3 H 6.98 . 1 708 . 84 TRP HZ2 H 7.24 . 1 709 . 84 TRP HH2 H 6.79 . 1 710 . 84 TRP C C 170.1 . 1 711 . 84 TRP CA C 56.3 . 1 712 . 84 TRP CB C 34.0 . 1 713 . 84 TRP CD1 C 128.7 . 1 714 . 84 TRP CZ2 C 112.8 . 1 715 . 84 TRP N N 126.0 . 1 716 . 84 TRP NE1 N 129.6 . 1 717 . 85 CYS H H 8.68 . 1 718 . 85 CYS HA H 4.22 . 1 719 . 85 CYS HB2 H 3.39 . 2 720 . 85 CYS HB3 H 2.94 . 2 721 . 85 CYS C C 174.8 . 1 722 . 85 CYS CA C 55.8 . 1 723 . 85 CYS CB C 42.8 . 1 724 . 85 CYS N N 109.9 . 1 725 . 86 TYR H H 7.92 . 1 726 . 86 TYR HA H 5.45 . 1 727 . 86 TYR HB2 H 2.99 . 2 728 . 86 TYR HB3 H 2.22 . 2 729 . 86 TYR HD1 H 6.95 . 1 730 . 86 TYR HD2 H 6.95 . 1 731 . 86 TYR HE1 H 6.73 . 1 732 . 86 TYR HE2 H 6.73 . 1 733 . 86 TYR C C 177.0 . 1 734 . 86 TYR CA C 59.4 . 1 735 . 86 TYR CB C 37.6 . 1 736 . 86 TYR CD1 C 133.0 . 1 737 . 86 TYR CD2 C 133.0 . 1 738 . 86 TYR CE1 C 117.6 . 1 739 . 86 TYR CE2 C 117.6 . 1 740 . 86 TYR N N 121.3 . 1 741 . 87 THR H H 7.82 . 1 742 . 87 THR HA H 5.32 . 1 743 . 87 THR HB H 4.17 . 1 744 . 87 THR HG1 H 6.06 . 1 745 . 87 THR HG2 H 1.12 . 1 746 . 87 THR C C 173.3 . 1 747 . 87 THR CA C 61.3 . 1 748 . 87 THR CB C 71.2 . 1 749 . 87 THR CG2 C 21.6 . 1 750 . 87 THR N N 111.7 . 1 751 . 88 MET H H 8.13 . 1 752 . 88 MET HA H 4.53 . 1 753 . 88 MET HB2 H 2.21 . 2 754 . 88 MET HB3 H 1.92 . 2 755 . 88 MET HG2 H 2.51 . 1 756 . 88 MET HG3 H 2.51 . 1 757 . 88 MET C C 176.9 . 1 758 . 88 MET CA C 54.3 . 1 759 . 88 MET CB C 30.9 . 1 760 . 88 MET N N 111.9 . 1 761 . 89 ASP H H 8.98 . 1 762 . 89 ASP HA H 4.95 . 1 763 . 89 ASP HB2 H 3.15 . 2 764 . 89 ASP HB3 H 2.52 . 2 765 . 89 ASP CA C 50.5 . 1 766 . 89 ASP CB C 42.8 . 1 767 . 89 ASP N N 123.7 . 1 768 . 90 PRO HA H 4.01 . 1 769 . 90 PRO HB2 H 2.32 . 2 770 . 90 PRO HB3 H 1.94 . 2 771 . 90 PRO HG2 H 2.06 . 2 772 . 90 PRO HG3 H 1.91 . 2 773 . 90 PRO HD2 H 4.19 . 2 774 . 90 PRO HD3 H 4.09 . 2 775 . 90 PRO C C 176.8 . 1 776 . 90 PRO CA C 64.5 . 1 777 . 90 PRO CB C 32.4 . 1 778 . 90 PRO CG C 27.4 . 1 779 . 90 PRO CD C 51.5 . 1 780 . 91 ASN H H 8.76 . 1 781 . 91 ASN HA H 4.74 . 1 782 . 91 ASN HB2 H 2.87 . 2 783 . 91 ASN HB3 H 2.73 . 2 784 . 91 ASN HD21 H 7.85 . 2 785 . 91 ASN HD22 H 7.00 . 2 786 . 91 ASN C C 175.1 . 1 787 . 91 ASN CA C 53.8 . 1 788 . 91 ASN CB C 39.6 . 1 789 . 91 ASN N N 113.3 . 1 790 . 91 ASN ND2 N 114.8 . 1 791 . 92 VAL H H 7.81 . 1 792 . 92 VAL HA H 4.11 . 1 793 . 92 VAL HB H 1.78 . 1 794 . 92 VAL HG1 H 0.59 . 2 795 . 92 VAL HG2 H 0.61 . 2 796 . 92 VAL C C 173.2 . 1 797 . 92 VAL CA C 61.5 . 1 798 . 92 VAL CB C 33.4 . 1 799 . 92 VAL CG1 C 20.1 . 2 800 . 92 VAL CG2 C 21.0 . 2 801 . 92 VAL N N 121.5 . 1 802 . 93 ARG H H 8.52 . 1 803 . 93 ARG HA H 4.10 . 1 804 . 93 ARG HB2 H 1.81 . 2 805 . 93 ARG HB3 H 1.66 . 2 806 . 93 ARG HG2 H 2.10 . 2 807 . 93 ARG HG3 H 1.45 . 2 808 . 93 ARG HD2 H 3.60 . 2 809 . 93 ARG HD3 H 3.13 . 2 810 . 93 ARG C C 174.6 . 1 811 . 93 ARG CA C 59.9 . 1 812 . 93 ARG CB C 29.8 . 1 813 . 93 ARG CD C 43.5 . 1 814 . 93 ARG N N 128.2 . 1 815 . 94 TRP H H 7.38 . 1 816 . 94 TRP HA H 5.33 . 1 817 . 94 TRP HB2 H 3.05 . 2 818 . 94 TRP HB3 H 2.68 . 2 819 . 94 TRP HD1 H 6.71 . 1 820 . 94 TRP HE1 H 9.65 . 1 821 . 94 TRP HE3 H 6.73 . 1 822 . 94 TRP HZ2 H 7.03 . 1 823 . 94 TRP HZ3 H 5.28 . 1 824 . 94 TRP HH2 H 6.61 . 1 825 . 94 TRP C C 173.1 . 1 826 . 94 TRP CA C 55.5 . 1 827 . 94 TRP CB C 31.9 . 1 828 . 94 TRP CD1 C 125.2 . 1 829 . 94 TRP CZ2 C 113.3 . 1 830 . 94 TRP CH2 C 124.1 . 1 831 . 94 TRP N N 109.3 . 1 832 . 94 TRP NE1 N 128.3 . 1 833 . 95 GLU H H 8.58 . 1 834 . 95 GLU HA H 3.72 . 1 835 . 95 GLU HB2 H 1.85 . 2 836 . 95 GLU HB3 H 1.69 . 2 837 . 95 GLU HG2 H 2.26 . 1 838 . 95 GLU HG3 H 2.26 . 1 839 . 95 GLU C C 175.5 . 1 840 . 95 GLU CA C 55.0 . 1 841 . 95 GLU CB C 39.2 . 1 842 . 95 GLU N N 117.1 . 1 843 . 96 TYR H H 7.98 . 1 844 . 96 TYR HA H 4.84 . 1 845 . 96 TYR HB2 H 3.28 . 2 846 . 96 TYR HB3 H 2.63 . 2 847 . 96 TYR HD1 H 7.27 . 1 848 . 96 TYR HD2 H 7.27 . 1 849 . 96 TYR HE1 H 6.91 . 1 850 . 96 TYR HE2 H 6.91 . 1 851 . 96 TYR C C 176.7 . 1 852 . 96 TYR CA C 59.8 . 1 853 . 96 TYR CB C 39.0 . 1 854 . 96 TYR CD1 C 133.8 . 1 855 . 96 TYR CD2 C 133.8 . 1 856 . 96 TYR CE1 C 117.5 . 1 857 . 96 TYR CE2 C 117.5 . 1 858 . 96 TYR N N 116.6 . 1 859 . 97 CYS H H 8.85 . 1 860 . 97 CYS HA H 5.07 . 1 861 . 97 CYS HB2 H 3.37 . 2 862 . 97 CYS HB3 H 3.00 . 2 863 . 97 CYS C C 170.2 . 1 864 . 97 CYS CA C 57.1 . 1 865 . 97 CYS CB C 48.2 . 1 866 . 97 CYS N N 116.7 . 1 867 . 98 ASN H H 8.38 . 1 868 . 98 ASN HA H 4.92 . 1 869 . 98 ASN HB2 H 3.17 . 2 870 . 98 ASN HB3 H 2.32 . 2 871 . 98 ASN HD21 H 7.62 . 2 872 . 98 ASN HD22 H 6.92 . 2 873 . 98 ASN C C 172.1 . 1 874 . 98 ASN CA C 52.5 . 1 875 . 98 ASN CB C 37.1 . 1 876 . 98 ASN N N 122.0 . 1 877 . 98 ASN ND2 N 110.4 . 1 878 . 99 LEU H H 7.24 . 1 879 . 99 LEU HA H 4.27 . 1 880 . 99 LEU HB2 H 1.34 . 2 881 . 99 LEU HB3 H 1.17 . 2 882 . 99 LEU HG H 0.98 . 1 883 . 99 LEU HD1 H 0.23 . 2 884 . 99 LEU HD2 H 0.17 . 2 885 . 99 LEU C C 175.6 . 1 886 . 99 LEU CA C 52.9 . 1 887 . 99 LEU CB C 48.0 . 1 888 . 99 LEU CD1 C 23.2 . 2 889 . 99 LEU CD2 C 24.5 . 2 890 . 99 LEU N N 119.7 . 1 891 . 100 THR H H 8.11 . 1 892 . 100 THR HA H 4.45 . 1 893 . 100 THR HB H 4.00 . 1 894 . 100 THR HG2 H 1.08 . 1 895 . 100 THR C C 172.5 . 1 896 . 100 THR CA C 59.7 . 1 897 . 100 THR CB C 71.3 . 1 898 . 100 THR CG2 C 20.8 . 1 899 . 100 THR N N 113.5 . 1 900 . 101 GLN H H 8.21 . 1 901 . 101 GLN HA H 3.51 . 1 902 . 101 GLN HB2 H 1.78 . 2 903 . 101 GLN HB3 H 1.59 . 2 904 . 101 GLN HG2 H 2.23 . 1 905 . 101 GLN HG3 H 2.23 . 1 906 . 101 GLN C C 177.3 . 1 907 . 101 GLN CA C 54.4 . 1 908 . 101 GLN CB C 29.9 . 1 909 . 101 GLN CG C 30.0 . 1 910 . 101 GLN N N 122.3 . 1 911 . 102 CYS H H 9.04 . 1 912 . 102 CYS HA H 4.39 . 1 913 . 102 CYS HB2 H 3.03 . 2 914 . 102 CYS HB3 H 1.86 . 2 915 . 102 CYS CA C 52.3 . 1 916 . 102 CYS CB C 38.5 . 1 917 . 102 CYS N N 127.0 . 1 918 . 103 PRO C C 176.5 . 1 919 . 103 PRO CA C 63.0 . 1 920 . 103 PRO CB C 31.9 . 1 921 . 104 VAL H H 8.33 . 1 922 . 104 VAL HA H 4.16 . 1 923 . 104 VAL HB H 2.08 . 1 924 . 104 VAL HG1 H 0.96 . 1 925 . 104 VAL HG2 H 0.96 . 1 926 . 104 VAL C C 176.4 . 1 927 . 104 VAL CA C 62.5 . 1 928 . 104 VAL CB C 32.5 . 1 929 . 104 VAL N N 120.9 . 1 930 . 105 THR H H 8.19 . 1 931 . 105 THR HA H 4.38 . 1 932 . 105 THR HB H 4.16 . 1 933 . 105 THR HG2 H 1.19 . 1 934 . 105 THR C C 174.5 . 1 935 . 105 THR CA C 61.6 . 1 936 . 105 THR CB C 70.0 . 1 937 . 105 THR N N 117.9 . 1 938 . 106 GLU H H 8.47 . 1 939 . 106 GLU HA H 4.36 . 1 940 . 106 GLU HB2 H 2.06 . 2 941 . 106 GLU HB3 H 1.90 . 2 942 . 106 GLU HG2 H 2.27 . 1 943 . 106 GLU HG3 H 2.27 . 1 944 . 106 GLU C C 176.5 . 1 945 . 106 GLU CA C 56.8 . 1 946 . 106 GLU CB C 30.3 . 1 947 . 106 GLU N N 123.6 . 1 948 . 107 SER H H 8.36 . 1 949 . 107 SER HA H 4.47 . 1 950 . 107 SER C C 174.8 . 1 951 . 107 SER CA C 58.5 . 1 952 . 107 SER CB C 64.0 . 1 953 . 107 SER N N 116.8 . 1 954 . 108 SER H H 8.33 . 1 955 . 108 SER HA H 4.50 . 1 956 . 108 SER C C 174.6 . 1 957 . 108 SER CA C 58.7 . 1 958 . 108 SER CB C 63.9 . 1 959 . 108 SER N N 118.5 . 1 960 . 109 VAL H H 8.08 . 1 961 . 109 VAL HA H 4.19 . 1 962 . 109 VAL HB H 2.10 . 1 963 . 109 VAL HG1 H 0.88 . 1 964 . 109 VAL HG2 H 0.88 . 1 965 . 109 VAL C C 176.2 . 1 966 . 109 VAL CA C 62.6 . 1 967 . 109 VAL CB C 32.4 . 1 968 . 109 VAL N N 121.6 . 1 969 . 110 LEU H H 8.16 . 1 970 . 110 LEU HA H 4.35 . 1 971 . 110 LEU HD1 H 0.93 . 2 972 . 110 LEU HD2 H 0.85 . 2 973 . 110 LEU C C 177.1 . 1 974 . 110 LEU CA C 55.1 . 1 975 . 110 LEU CB C 42.2 . 1 976 . 110 LEU CD1 C 24.3 . 2 977 . 110 LEU CD2 C 23.0 . 2 978 . 110 LEU N N 125.3 . 1 979 . 111 ALA H H 8.25 . 1 980 . 111 ALA HA H 4.37 . 1 981 . 111 ALA HB H 1.39 . 1 982 . 111 ALA C C 177.9 . 1 983 . 111 ALA CA C 52.6 . 1 984 . 111 ALA CB C 19.4 . 1 985 . 111 ALA N N 124.9 . 1 986 . 112 THR H H 8.01 . 1 987 . 112 THR HA H 4.31 . 1 988 . 112 THR C C 174.7 . 1 989 . 112 THR CA C 61.8 . 1 990 . 112 THR CB C 69.8 . 1 991 . 112 THR N N 112.5 . 1 992 . 113 SER H H 8.34 . 1 993 . 113 SER HA H 4.51 . 1 994 . 113 SER HB2 H 3.86 . 1 995 . 113 SER HB3 H 3.86 . 1 996 . 113 SER C C 174.8 . 1 997 . 113 SER CA C 58.3 . 1 998 . 113 SER CB C 64.0 . 1 999 . 113 SER N N 118.1 . 1 1000 . 114 THR H H 8.13 . 1 1001 . 114 THR HA H 4.34 . 1 1002 . 114 THR C C 174.2 . 1 1003 . 114 THR CA C 61.9 . 1 1004 . 114 THR CB C 69.7 . 1 1005 . 114 THR N N 116.0 . 1 1006 . 115 ALA H H 8.44 . 1 1007 . 115 ALA HA H 4.37 . 1 1008 . 115 ALA C C 177.6 . 1 1009 . 115 ALA CA C 52.5 . 1 1010 . 115 ALA CB C 19.5 . 1 1011 . 115 ALA N N 127.1 . 1 1012 . 116 VAL H H 8.15 . 1 1013 . 116 VAL HA H 4.11 . 1 1014 . 116 VAL C C 176.2 . 1 1015 . 116 VAL CA C 62.2 . 1 1016 . 116 VAL CB C 32.9 . 1 1017 . 116 VAL N N 119.2 . 1 1018 . 117 SER H H 8.33 . 1 1019 . 117 SER HA H 4.48 . 1 1020 . 117 SER HB2 H 3.86 . 1 1021 . 117 SER HB3 H 3.86 . 1 1022 . 117 SER C C 174.3 . 1 1023 . 117 SER CA C 54.2 . 1 1024 . 117 SER CB C 64.1 . 1 1025 . 117 SER N N 119.2 . 1 1026 . 118 GLU H H 8.42 . 1 1027 . 118 GLU HA H 4.34 . 1 1028 . 118 GLU HB2 H 2.07 . 1 1029 . 118 GLU HB3 H 1.95 . 1 1030 . 118 GLU C C 175.5 . 1 1031 . 118 GLU CA C 56.7 . 1 1032 . 118 GLU CB C 30.3 . 1 1033 . 118 GLU N N 123.9 . 1 1034 . 119 GLN H H 7.95 . 1 1035 . 119 GLN HA H 4.16 . 1 1036 . 119 GLN CA C 57.4 . 1 1037 . 119 GLN CB C 30.7 . 1 1038 . 119 GLN N N 125.7 . 1 stop_ save_