data_5683 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; QR6 structure ; _BMRB_accession_number 5683 _BMRB_flat_file_name bmr5683.str _Entry_type original _Submission_date 2003-02-01 _Accession_date 2003-02-03 _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 Xu Duanxiang . . 2 Liu Gaohua . . 3 Xiao Rong . . 4 Acton Thomas . . 5 Montelione Gaetano . . 6 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 576 "13C chemical shifts" 449 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-09-14 original author . stop_ _Original_release_date 2004-09-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of the hypothetical protein AQ-1857 encoded by the YI57 gene from Aquifex aeolicus reveals a novel protein fold. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14997575 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xu Duanxiang . . 2 Liu Gaohua . . 3 Xiao Rong . . 4 Acton Thomas . . 5 Goldsmith-Fischman S. . . 6 Honig B. . . 7 Montelione Gaetano . . 8 Szyperski Thomas . . stop_ _Journal_abbreviation Proteins _Journal_volume 54 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 794 _Page_last 796 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_QR6 _Saveframe_category molecular_system _Mol_system_name QR6 _Abbreviation_common QR6 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'QR6 monomer' $QR6_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_QR6_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Hypothetical protein AQ_1857' _Abbreviation_common AQ_1857 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; MQEQAQQFIFKVTDKAVEEI KKVAQENNIENPILRIRVVP GGCSGFQYAMGFDDTVEEGD HVFEYDGVKVVIDPFSMPYV NGAELDYVVDFMGGGFTIRN PNATGSCGCGSSFSCG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 GLU 4 GLN 5 ALA 6 GLN 7 GLN 8 PHE 9 ILE 10 PHE 11 LYS 12 VAL 13 THR 14 ASP 15 LYS 16 ALA 17 VAL 18 GLU 19 GLU 20 ILE 21 LYS 22 LYS 23 VAL 24 ALA 25 GLN 26 GLU 27 ASN 28 ASN 29 ILE 30 GLU 31 ASN 32 PRO 33 ILE 34 LEU 35 ARG 36 ILE 37 ARG 38 VAL 39 VAL 40 PRO 41 GLY 42 GLY 43 CYS 44 SER 45 GLY 46 PHE 47 GLN 48 TYR 49 ALA 50 MET 51 GLY 52 PHE 53 ASP 54 ASP 55 THR 56 VAL 57 GLU 58 GLU 59 GLY 60 ASP 61 HIS 62 VAL 63 PHE 64 GLU 65 TYR 66 ASP 67 GLY 68 VAL 69 LYS 70 VAL 71 VAL 72 ILE 73 ASP 74 PRO 75 PHE 76 SER 77 MET 78 PRO 79 TYR 80 VAL 81 ASN 82 GLY 83 ALA 84 GLU 85 LEU 86 ASP 87 TYR 88 VAL 89 VAL 90 ASP 91 PHE 92 MET 93 GLY 94 GLY 95 GLY 96 PHE 97 THR 98 ILE 99 ARG 100 ASN 101 PRO 102 ASN 103 ALA 104 THR 105 GLY 106 SER 107 CYS 108 GLY 109 CYS 110 GLY 111 SER 112 SER 113 PHE 114 SER 115 CYS 116 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 5790 AQ 100.00 124 100.00 100.00 1.37e-78 PDB 1NWB "Solution Nmr Structure Of Protein Aq_1857 From Aquifex Aeolicus: Northeast Structural Genomics Consortium Target Qr6" 99.14 124 100.00 100.00 1.12e-77 GB AAC07682 "hypothetical protein aq_1857 [Aquifex aeolicus VF5]" 100.00 116 100.00 100.00 3.61e-78 REF NP_214277 "hypothetical protein aq_1857 [Aquifex aeolicus VF5]" 100.00 116 100.00 100.00 3.61e-78 REF WP_010881213 "hypothetical protein [Aquifex aeolicus]" 100.00 116 100.00 100.00 3.61e-78 SP O67709 "RecName: Full=Protein aq_1857 [Aquifex aeolicus VF5]" 100.00 116 100.00 100.00 3.61e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $QR6_monomer 'Aquifex aeolicus' 63363 Eubacteria . Aquifex aeolicus 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 $QR6_monomer '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 $QR6_monomer 1.08 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task 'peak assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _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 6.5 0.1 n/a temperature 293 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 2 'methyl protons' ppm 0.0 . indirect . . . 0.153506088 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 'QR6 monomer' _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 MET CA C 56.913 0.2 . 2 . 1 MET HA H 4.282 0.02 . 3 . 1 MET CB C 33.000 0.2 . 4 . 1 MET HB2 H 2.046 0.02 . 5 . 1 MET HB3 H 1.967 0.02 . 6 . 1 MET CG C 34.000 0.2 . 7 . 1 MET HG2 H 2.286 0.02 . 8 . 1 MET C C 172.558 0.2 . 9 . 2 GLN N N 121.720 0.2 . 10 . 2 GLN H H 8.354 0.02 . 11 . 2 GLN CA C 55.821 0.2 . 12 . 2 GLN HA H 4.368 0.02 . 13 . 2 GLN CB C 29.230 0.2 . 14 . 2 GLN HB2 H 2.097 0.02 . 15 . 2 GLN HB3 H 2.008 0.02 . 16 . 2 GLN CG C 33.702 0.2 . 17 . 2 GLN HG2 H 2.386 0.02 . 18 . 2 GLN HG3 H 2.270 0.02 . 19 . 2 GLN C C 172.128 0.2 . 20 . 3 GLU N N 124.198 0.2 . 21 . 3 GLU H H 8.677 0.02 . 22 . 3 GLU CA C 56.531 0.2 . 23 . 3 GLU HA H 4.254 0.02 . 24 . 3 GLU CB C 30.177 0.2 . 25 . 3 GLU HB2 H 1.938 0.02 . 26 . 3 GLU HB3 H 2.009 0.02 . 27 . 3 GLU CG C 35.833 0.2 . 28 . 3 GLU HG2 H 2.281 0.02 . 29 . 3 GLU C C 173.937 0.2 . 30 . 4 GLN N N 122.200 0.2 . 31 . 4 GLN H H 8.523 0.02 . 32 . 4 GLN CA C 55.381 0.2 . 33 . 4 GLN HA H 4.324 0.02 . 34 . 4 GLN CB C 29.166 0.2 . 35 . 4 GLN HB2 H 1.982 0.02 . 36 . 4 GLN HB3 H 2.108 0.02 . 37 . 4 GLN CG C 33.670 0.2 . 38 . 4 GLN HG2 H 2.364 0.02 . 39 . 4 GLN C C 173.358 0.2 . 40 . 5 ALA N N 125.612 0.2 . 41 . 5 ALA H H 8.417 0.02 . 42 . 5 ALA CA C 52.217 0.2 . 43 . 5 ALA HA H 4.269 0.02 . 44 . 5 ALA HB H 1.365 0.02 . 45 . 5 ALA CB C 18.942 0.2 . 46 . 5 ALA C C 178.251 0.2 . 47 . 6 GLN N N 120.110 0.2 . 48 . 6 GLN H H 8.277 0.02 . 49 . 6 GLN CA C 55.341 0.2 . 50 . 6 GLN HA H 4.193 0.02 . 51 . 6 GLN CB C 29.367 0.2 . 52 . 6 GLN HB2 H 1.859 0.02 . 53 . 6 GLN CG C 33.606 0.2 . 54 . 6 GLN HG2 H 2.181 0.02 . 55 . 6 GLN HE21 H 7.246 0.02 . 56 . 6 GLN HE22 H 7.509 0.02 . 57 . 6 GLN C C 174.953 0.2 . 58 . 7 GLN N N 122.044 0.2 . 59 . 7 GLN H H 8.236 0.02 . 60 . 7 GLN CA C 55.367 0.2 . 61 . 7 GLN HA H 4.215 0.02 . 62 . 7 GLN CB C 29.668 0.2 . 63 . 7 GLN HB2 H 1.870 0.02 . 64 . 7 GLN CG C 33.531 0.2 . 65 . 7 GLN HG2 H 2.062 0.02 . 66 . 7 GLN HG3 H 2.192 0.02 . 67 . 7 GLN HE22 H 7.470 0.02 . 68 . 8 PHE N N 121.626 0.2 . 69 . 8 PHE H H 8.406 0.02 . 70 . 8 PHE CA C 56.894 0.2 . 71 . 8 PHE HA H 4.981 0.02 . 72 . 8 PHE CB C 40.494 0.2 . 73 . 8 PHE HB2 H 2.980 0.02 . 74 . 8 PHE HD1 H 7.039 0.02 . 75 . 8 PHE HE1 H 7.010 0.02 . 76 . 8 PHE CD1 C 131.591 0.2 . 77 . 8 PHE HZ H 6.781 0.02 . 78 . 8 PHE C C 178.284 0.2 . 79 . 9 ILE N N 123.023 0.2 . 80 . 9 ILE H H 8.719 0.02 . 81 . 9 ILE CA C 59.266 0.2 . 82 . 9 ILE HA H 4.573 0.02 . 83 . 9 ILE CB C 41.627 0.2 . 84 . 9 ILE HB H 1.653 0.02 . 85 . 9 ILE HG2 H 0.839 0.02 . 86 . 9 ILE CG2 C 17.166 0.2 . 87 . 9 ILE CG1 C 27.355 0.2 . 88 . 9 ILE HG12 H 1.176 0.02 . 89 . 9 ILE HG13 H 1.414 0.02 . 90 . 9 ILE HD1 H 0.874 0.02 . 91 . 9 ILE CD1 C 12.848 0.2 . 92 . 9 ILE C C 175.483 0.2 . 93 . 10 PHE N N 126.310 0.2 . 94 . 10 PHE H H 7.437 0.02 . 95 . 10 PHE CA C 58.721 0.2 . 96 . 10 PHE HA H 4.370 0.02 . 97 . 10 PHE CB C 40.702 0.2 . 98 . 10 PHE HB2 H 1.358 0.02 . 99 . 10 PHE HB3 H 1.991 0.02 . 100 . 10 PHE HD1 H 6.885 0.02 . 101 . 10 PHE HE1 H 6.740 0.02 . 102 . 10 PHE CD1 C 131.466 0.2 . 103 . 10 PHE CE1 C 129.597 0.2 . 104 . 10 PHE C C 171.663 0.2 . 105 . 11 LYS N N 128.450 0.2 . 106 . 11 LYS H H 7.855 0.02 . 107 . 11 LYS CA C 55.319 0.2 . 108 . 11 LYS HA H 4.492 0.02 . 109 . 11 LYS CB C 34.526 0.2 . 110 . 11 LYS HB2 H 1.709 0.02 . 111 . 11 LYS HB3 H 1.394 0.02 . 112 . 11 LYS CG C 24.833 0.2 . 113 . 11 LYS HG2 H 1.115 0.02 . 114 . 11 LYS HG3 H 1.296 0.02 . 115 . 11 LYS CD C 28.886 0.2 . 116 . 11 LYS HD2 H 1.527 0.02 . 117 . 11 LYS CE C 41.824 0.2 . 118 . 11 LYS HE2 H 2.769 0.02 . 119 . 11 LYS C C 172.162 0.2 . 120 . 12 VAL N N 120.337 0.2 . 121 . 12 VAL H H 7.105 0.02 . 122 . 12 VAL CA C 60.141 0.2 . 123 . 12 VAL HA H 4.571 0.02 . 124 . 12 VAL CB C 33.545 0.2 . 125 . 12 VAL HB H 0.742 0.02 . 126 . 12 VAL HG1 H 0.599 0.02 . 127 . 12 VAL HG2 H 0.782 0.02 . 128 . 12 VAL CG1 C 22.231 0.2 . 129 . 12 VAL CG2 C 23.486 0.2 . 130 . 12 VAL C C 172.356 0.2 . 131 . 13 THR N N 118.311 0.2 . 132 . 13 THR H H 8.592 0.02 . 133 . 13 THR CA C 61.238 0.2 . 134 . 13 THR HA H 4.287 0.02 . 135 . 13 THR CB C 70.193 0.2 . 136 . 13 THR HB H 4.746 0.02 . 137 . 13 THR HG2 H 1.176 0.02 . 138 . 13 THR HG1 H 5.875 0.02 . 139 . 13 THR CG2 C 20.814 0.2 . 140 . 13 THR C C 174.410 0.2 . 141 . 14 ASP N N 121.849 0.2 . 142 . 14 ASP H H 8.844 0.02 . 143 . 14 ASP CA C 57.449 0.2 . 144 . 14 ASP HA H 4.331 0.02 . 145 . 14 ASP CB C 39.395 0.2 . 146 . 14 ASP HB2 H 2.660 0.02 . 147 . 14 ASP HB3 H 2.804 0.02 . 148 . 14 ASP C C 172.886 0.2 . 149 . 15 LYS N N 120.239 0.2 . 150 . 15 LYS H H 8.613 0.02 . 151 . 15 LYS CA C 58.097 0.2 . 152 . 15 LYS HA H 4.177 0.02 . 153 . 15 LYS CB C 32.351 0.2 . 154 . 15 LYS HB2 H 1.920 0.02 . 155 . 15 LYS HB3 H 2.023 0.02 . 156 . 15 LYS CG C 24.883 0.2 . 157 . 15 LYS HG2 H 1.551 0.02 . 158 . 15 LYS HG3 H 1.663 0.02 . 159 . 15 LYS CD C 28.323 0.2 . 160 . 15 LYS HD2 H 1.843 0.02 . 161 . 15 LYS HD3 H 1.813 0.02 . 162 . 15 LYS CE C 41.880 0.2 . 163 . 15 LYS HE2 H 2.912 0.02 . 164 . 15 LYS HE3 H 3.017 0.02 . 165 . 16 ALA N N 121.876 0.2 . 166 . 16 ALA H H 7.835 0.02 . 167 . 16 ALA CA C 55.344 0.2 . 168 . 16 ALA HA H 4.098 0.02 . 169 . 16 ALA HB H 1.445 0.02 . 170 . 16 ALA CB C 17.819 0.2 . 171 . 16 ALA C C 171.842 0.2 . 172 . 17 VAL N N 119.983 0.2 . 173 . 17 VAL H H 8.566 0.02 . 174 . 17 VAL CA C 67.853 0.2 . 175 . 17 VAL HA H 3.318 0.02 . 176 . 17 VAL CB C 31.582 0.2 . 177 . 17 VAL HB H 2.277 0.02 . 178 . 17 VAL HG1 H 0.905 0.02 . 179 . 17 VAL HG2 H 1.022 0.02 . 180 . 17 VAL CG1 C 23.931 0.2 . 181 . 17 VAL CG2 C 21.867 0.2 . 182 . 17 VAL C C 174.661 0.2 . 183 . 18 GLU N N 118.447 0.2 . 184 . 18 GLU H H 8.007 0.02 . 185 . 18 GLU CA C 59.190 0.2 . 186 . 18 GLU HA H 3.907 0.02 . 187 . 18 GLU CB C 29.477 0.2 . 188 . 18 GLU HB2 H 2.156 0.02 . 189 . 18 GLU CG C 35.831 0.2 . 190 . 18 GLU HG2 H 2.366 0.02 . 191 . 18 GLU C C 174.292 0.2 . 192 . 19 GLU N N 119.850 0.2 . 193 . 19 GLU H H 7.826 0.02 . 194 . 19 GLU CA C 58.261 0.2 . 195 . 19 GLU HA H 4.029 0.02 . 196 . 19 GLU CB C 28.520 0.2 . 197 . 19 GLU HB2 H 1.300 0.02 . 198 . 19 GLU HB3 H 1.478 0.02 . 199 . 19 GLU CG C 33.674 0.2 . 200 . 19 GLU HG2 H 0.983 0.02 . 201 . 19 GLU HG3 H 1.236 0.02 . 202 . 19 GLU C C 175.043 0.2 . 203 . 20 ILE N N 122.436 0.2 . 204 . 20 ILE H H 8.927 0.02 . 205 . 20 ILE CA C 65.849 0.2 . 206 . 20 ILE HA H 3.611 0.02 . 207 . 20 ILE CB C 37.654 0.2 . 208 . 20 ILE HB H 1.990 0.02 . 209 . 20 ILE HG2 H 0.940 0.02 . 210 . 20 ILE CG2 C 18.487 0.2 . 211 . 20 ILE CG1 C 27.352 0.2 . 212 . 20 ILE HG12 H 1.201 0.02 . 213 . 20 ILE HG13 H 1.438 0.02 . 214 . 20 ILE HD1 H 0.549 0.02 . 215 . 20 ILE CD1 C 13.771 0.2 . 216 . 20 ILE C C 174.671 0.2 . 217 . 21 LYS N N 118.634 0.2 . 218 . 21 LYS H H 8.371 0.02 . 219 . 21 LYS CA C 60.523 0.2 . 220 . 21 LYS HA H 3.836 0.02 . 221 . 21 LYS CB C 32.093 0.2 . 222 . 21 LYS HB2 H 1.892 0.02 . 223 . 21 LYS CG C 26.862 0.2 . 224 . 21 LYS HG2 H 1.277 0.02 . 225 . 21 LYS HG3 H 1.737 0.02 . 226 . 21 LYS CD C 29.682 0.2 . 227 . 21 LYS HD2 H 1.753 0.02 . 228 . 21 LYS CE C 42.127 0.2 . 229 . 21 LYS HE2 H 2.949 0.02 . 230 . 21 LYS C C 175.575 0.2 . 231 . 22 LYS N N 121.445 0.2 . 232 . 22 LYS H H 7.830 0.02 . 233 . 22 LYS CA C 59.864 0.2 . 234 . 22 LYS HA H 4.051 0.02 . 235 . 22 LYS CB C 32.239 0.2 . 236 . 22 LYS HB2 H 1.930 0.02 . 237 . 22 LYS CG C 24.741 0.2 . 238 . 22 LYS HG2 H 1.320 0.02 . 239 . 22 LYS HG3 H 1.568 0.02 . 240 . 22 LYS CD C 29.290 0.2 . 241 . 22 LYS HD2 H 1.677 0.02 . 242 . 22 LYS CE C 41.740 0.2 . 243 . 22 LYS HE2 H 2.874 0.02 . 244 . 22 LYS C C 175.471 0.2 . 245 . 23 VAL N N 120.889 0.2 . 246 . 23 VAL H H 8.183 0.02 . 247 . 23 VAL CA C 65.741 0.2 . 248 . 23 VAL HA H 3.813 0.02 . 249 . 23 VAL CB C 31.719 0.2 . 250 . 23 VAL HB H 2.274 0.02 . 251 . 23 VAL HG1 H 1.105 0.02 . 252 . 23 VAL HG2 H 1.197 0.02 . 253 . 23 VAL CG1 C 22.290 0.2 . 254 . 23 VAL CG2 C 22.512 0.2 . 255 . 23 VAL C C 174.890 0.2 . 256 . 24 ALA N N 124.581 0.2 . 257 . 24 ALA H H 8.859 0.02 . 258 . 24 ALA CA C 55.557 0.2 . 259 . 24 ALA HA H 3.565 0.02 . 260 . 24 ALA HB H 1.396 0.02 . 261 . 24 ALA CB C 17.223 0.2 . 262 . 24 ALA C C 176.323 0.2 . 263 . 25 GLN N N 119.401 0.2 . 264 . 25 GLN H H 8.337 0.02 . 265 . 25 GLN CA C 58.621 0.2 . 266 . 25 GLN HA H 4.035 0.02 . 267 . 25 GLN CB C 28.020 0.2 . 268 . 25 GLN HB2 H 2.240 0.02 . 269 . 25 GLN CG C 33.702 0.2 . 270 . 25 GLN HG2 H 2.521 0.02 . 271 . 25 GLN HG3 H 2.406 0.02 . 272 . 25 GLN HE21 H 7.51 0.02 . 273 . 25 GLN HE22 H 6.81 0.02 . 274 . 25 GLN C C 172.962 0.2 . 275 . 25 GLN NE2 N 112.07 0.2 . 276 . 26 GLU N N 120.979 0.2 . 277 . 26 GLU H H 8.159 0.02 . 278 . 26 GLU CA C 58.386 0.2 . 279 . 26 GLU HA H 4.046 0.02 . 280 . 26 GLU CB C 29.249 0.2 . 281 . 26 GLU HB2 H 2.091 0.02 . 282 . 26 GLU HB3 H 2.232 0.02 . 283 . 26 GLU CG C 36.163 0.2 . 284 . 26 GLU HG2 H 2.333 0.02 . 285 . 26 GLU HG3 H 2.497 0.02 . 286 . 26 GLU C C 173.004 0.2 . 287 . 27 ASN N N 115.042 0.2 . 288 . 27 ASN H H 7.441 0.02 . 289 . 27 ASN CA C 52.940 0.2 . 290 . 27 ASN HA H 4.722 0.02 . 291 . 27 ASN CB C 40.150 0.2 . 292 . 27 ASN HB2 H 2.295 0.02 . 293 . 27 ASN HB3 H 2.842 0.02 . 294 . 27 ASN C C 172.659 0.2 . 295 . 28 ASN N N 116.438 0.2 . 296 . 28 ASN H H 7.919 0.02 . 297 . 28 ASN CA C 54.393 0.2 . 298 . 28 ASN HA H 4.295 0.02 . 299 . 28 ASN CB C 36.767 0.2 . 300 . 28 ASN HB2 H 2.785 0.02 . 301 . 28 ASN HB3 H 3.026 0.02 . 302 . 28 ASN HD21 H 7.555 0.02 . 303 . 28 ASN HD22 H 6.820 0.02 . 304 . 28 ASN C C 178.386 0.2 . 305 . 29 ILE N N 120.101 0.2 . 306 . 29 ILE H H 8.184 0.02 . 307 . 29 ILE CA C 60.371 0.2 . 308 . 29 ILE HA H 3.924 0.02 . 309 . 29 ILE CB C 38.056 0.2 . 310 . 29 ILE HB H 1.229 0.02 . 311 . 29 ILE HG2 H 0.424 0.02 . 312 . 29 ILE CG2 C 16.899 0.2 . 313 . 29 ILE CG1 C 26.138 0.2 . 314 . 29 ILE HG12 H 0.634 0.02 . 315 . 29 ILE HG13 H 1.107 0.02 . 316 . 29 ILE HD1 H 0.120 0.02 . 317 . 29 ILE CD1 C 12.765 0.2 . 318 . 29 ILE C C 173.552 0.2 . 319 . 30 GLU N N 127.771 0.2 . 320 . 30 GLU H H 8.364 0.02 . 321 . 30 GLU CA C 56.746 0.2 . 322 . 30 GLU HA H 4.083 0.02 . 323 . 30 GLU CB C 30.535 0.2 . 324 . 30 GLU HB2 H 1.880 0.02 . 325 . 30 GLU HB3 H 1.914 0.02 . 326 . 30 GLU CG C 35.962 0.2 . 327 . 30 GLU HG2 H 2.161 0.02 . 328 . 30 GLU HG3 H 2.210 0.02 . 329 . 30 GLU C C 173.492 0.2 . 330 . 31 ASN N N 117.212 0.2 . 331 . 31 ASN H H 8.670 0.02 . 332 . 31 ASN CA C 51.528 0.2 . 333 . 31 ASN HA H 4.853 0.02 . 334 . 31 ASN CB C 38.407 0.2 . 335 . 31 ASN HB2 H 2.737 0.02 . 336 . 31 ASN HB3 H 2.775 0.02 . 337 . 31 ASN HD21 H 7.70 0.02 . 338 . 31 ASN HD22 H 6.92 0.02 . 339 . 31 ASN ND2 N 115.0 0.2 . 340 . 32 PRO CD C 50.190 0.2 . 341 . 32 PRO CA C 63.378 0.2 . 342 . 32 PRO HA H 4.029 0.02 . 343 . 32 PRO CB C 32.451 0.2 . 344 . 32 PRO HB2 H 1.899 0.02 . 345 . 32 PRO HB3 H 1.815 0.02 . 346 . 32 PRO CG C 27.545 0.2 . 347 . 32 PRO HG2 H 1.735 0.02 . 348 . 32 PRO HG3 H 2.240 0.02 . 349 . 32 PRO HD2 H 3.809 0.02 . 350 . 32 PRO HD3 H 3.543 0.02 . 351 . 32 PRO C C 176.137 0.2 . 352 . 33 ILE N N 126.883 0.2 . 353 . 33 ILE H H 8.676 0.02 . 354 . 33 ILE CA C 60.692 0.2 . 355 . 33 ILE HA H 4.724 0.02 . 356 . 33 ILE CB C 38.877 0.2 . 357 . 33 ILE HB H 2.148 0.02 . 358 . 33 ILE HG2 H 0.647 0.02 . 359 . 33 ILE CG2 C 18.334 0.2 . 360 . 33 ILE CG1 C 26.938 0.2 . 361 . 33 ILE HG12 H 1.708 0.02 . 362 . 33 ILE HG13 H 1.735 0.02 . 363 . 33 ILE HD1 H 0.749 0.02 . 364 . 33 ILE CD1 C 13.469 0.2 . 365 . 33 ILE C C 175.092 0.2 . 366 . 34 LEU N N 130.638 0.2 . 367 . 34 LEU H H 9.486 0.02 . 368 . 34 LEU CA C 52.654 0.2 . 369 . 34 LEU HA H 4.533 0.02 . 370 . 34 LEU CB C 44.876 0.2 . 371 . 34 LEU HB2 H 0.940 0.02 . 372 . 34 LEU HB3 H 1.848 0.02 . 373 . 34 LEU CG C 26.760 0.2 . 374 . 34 LEU HG H 1.127 0.02 . 375 . 34 LEU HD1 H 0.158 0.02 . 376 . 34 LEU HD2 H 0.460 0.02 . 377 . 34 LEU CD1 C 23.820 0.2 . 378 . 34 LEU CD2 C 25.527 0.2 . 379 . 34 LEU C C 174.107 0.2 . 380 . 35 ARG N N 127.889 0.2 . 381 . 35 ARG H H 9.112 0.02 . 382 . 35 ARG CA C 54.147 0.2 . 383 . 35 ARG HA H 5.420 0.02 . 384 . 35 ARG CB C 31.802 0.2 . 385 . 35 ARG HB2 H 1.585 0.02 . 386 . 35 ARG HB3 H 1.678 0.02 . 387 . 35 ARG CG C 27.563 0.2 . 388 . 35 ARG HG2 H 1.552 0.02 . 389 . 35 ARG HG3 H 1.571 0.02 . 390 . 35 ARG CD C 42.967 0.2 . 391 . 35 ARG HD2 H 3.014 0.02 . 392 . 35 ARG C C 174.682 0.2 . 393 . 36 ILE N N 126.912 0.2 . 394 . 36 ILE H H 7.949 0.02 . 395 . 36 ILE CA C 59.234 0.2 . 396 . 36 ILE HA H 4.770 0.02 . 397 . 36 ILE CB C 39.067 0.2 . 398 . 36 ILE HB H 1.399 0.02 . 399 . 36 ILE HG2 H 0.620 0.02 . 400 . 36 ILE CG2 C 15.808 0.2 . 401 . 36 ILE CG1 C 27.413 0.2 . 402 . 36 ILE HG12 H 0.920 0.02 . 403 . 36 ILE HG13 H 1.185 0.02 . 404 . 36 ILE HD1 H 0.578 0.02 . 405 . 36 ILE CD1 C 13.649 0.2 . 406 . 36 ILE C C 173.636 0.2 . 407 . 37 ARG N N 127.870 0.2 . 408 . 37 ARG H H 9.077 0.02 . 409 . 37 ARG CA C 54.018 0.2 . 410 . 37 ARG HA H 4.807 0.02 . 411 . 37 ARG CB C 34.712 0.2 . 412 . 37 ARG HB2 H 1.663 0.02 . 413 . 37 ARG CG C 27.755 0.2 . 414 . 37 ARG HG2 H 1.567 0.02 . 415 . 37 ARG CD C 43.048 0.2 . 416 . 37 ARG HD2 H 2.984 0.02 . 417 . 37 ARG HD3 H 3.163 0.02 . 418 . 38 VAL CA C 60.418 0.2 . 419 . 38 VAL HA H 4.556 0.02 . 420 . 38 VAL CB C 32.432 0.2 . 421 . 38 VAL HB H 1.785 0.02 . 422 . 38 VAL HG1 H 0.314 0.02 . 423 . 38 VAL HG2 H 0.821 0.02 . 424 . 38 VAL CG1 C 21.067 0.2 . 425 . 38 VAL CG2 C 21.664 0.2 . 426 . 39 VAL N N 126.212 0.2 . 427 . 39 VAL H H 8.671 0.02 . 428 . 39 VAL CA C 58.4 0.2 . 429 . 39 VAL HA H 4.584 0.02 . 430 . 39 VAL CB C 33.161 0.2 . 431 . 39 VAL HB H 1.939 0.02 . 432 . 39 VAL HG1 H 0.712 0.02 . 433 . 39 VAL HG2 H 0.825 0.02 . 434 . 39 VAL CG1 C 19.631 0.2 . 435 . 39 VAL CG2 C 20.908 0.2 . 436 . 40 PRO CD C 50.729 0.2 . 437 . 40 PRO CA C 62.891 0.2 . 438 . 40 PRO HA H 4.313 0.02 . 439 . 40 PRO CB C 31.817 0.2 . 440 . 40 PRO HB2 H 1.853 0.02 . 441 . 40 PRO HB3 H 2.034 0.02 . 442 . 40 PRO CG C 27.332 0.2 . 443 . 40 PRO HG2 H 1.727 0.02 . 444 . 40 PRO HG3 H 2.021 0.02 . 445 . 40 PRO HD2 H 3.762 0.02 . 446 . 40 PRO HD3 H 3.707 0.02 . 447 . 40 PRO C C 172.741 0.2 . 448 . 41 GLY N N 110.929 0.2 . 449 . 41 GLY H H 7.994 0.02 . 450 . 41 GLY CA C 44.522 0.2 . 451 . 41 GLY HA2 H 3.999 0.02 . 452 . 41 GLY HA3 H 3.897 0.02 . 453 . 41 GLY C C 176.884 0.2 . 454 . 42 GLY N N 109.133 0.2 . 455 . 42 GLY H H 8.163 0.02 . 456 . 42 GLY CA C 44.873 0.2 . 457 . 42 GLY HA2 H 4.039 0.02 . 458 . 42 GLY HA3 H 3.884 0.02 . 459 . 43 CYS CA C 59.803 0.2 . 460 . 43 CYS HA H 4.352 0.02 . 461 . 43 CYS CB C 27.197 0.2 . 462 . 43 CYS HB2 H 2.983 0.02 . 463 . 43 CYS C C 177.543 0.2 . 464 . 44 SER N N 116.434 0.2 . 465 . 44 SER H H 8.395 0.02 . 466 . 44 SER CA C 57.921 0.2 . 467 . 44 SER HA H 4.544 0.02 . 468 . 44 SER CB C 63.424 0.2 . 469 . 44 SER HB2 H 3.915 0.02 . 470 . 44 SER HB3 H 3.941 0.02 . 471 . 44 SER C C 176.271 0.2 . 472 . 45 GLY N N 110.583 0.2 . 473 . 45 GLY H H 7.701 0.02 . 474 . 45 GLY CA C 44.904 0.2 . 475 . 45 GLY HA2 H 4.185 0.02 . 476 . 45 GLY HA3 H 3.536 0.02 . 477 . 45 GLY C C 177.408 0.2 . 478 . 46 PHE N N 118.005 0.2 . 479 . 46 PHE H H 7.605 0.02 . 480 . 46 PHE CA C 56.796 0.2 . 481 . 46 PHE HA H 4.744 0.02 . 482 . 46 PHE CB C 40.823 0.2 . 483 . 46 PHE HB2 H 2.566 0.02 . 484 . 46 PHE HB3 H 2.469 0.02 . 485 . 46 PHE HD1 H 6.779 0.02 . 486 . 46 PHE HE1 H 7.055 0.02 . 487 . 46 PHE CD1 C 131.022 0.2 . 488 . 46 PHE CE1 C 130.858 0.2 . 489 . 46 PHE HZ H 6.995 0.02 . 490 . 46 PHE C C 175.342 0.2 . 491 . 47 GLN N N 119.791 0.2 . 492 . 47 GLN H H 8.486 0.02 . 493 . 47 GLN CA C 53.233 0.2 . 494 . 47 GLN HA H 4.410 0.02 . 495 . 47 GLN CB C 31.389 0.2 . 496 . 47 GLN HB2 H 1.798 0.02 . 497 . 47 GLN HB3 H 2.146 0.02 . 498 . 47 GLN CG C 34.000 0.2 . 499 . 47 GLN HG2 H 1.967 0.02 . 500 . 48 TYR H H 8.616 0.02 . 501 . 48 TYR CA C 56.274 0.2 . 502 . 48 TYR HA H 5.222 0.02 . 503 . 48 TYR CB C 40.986 0.2 . 504 . 48 TYR HB2 H 2.528 0.02 . 505 . 48 TYR HB3 H 2.582 0.02 . 506 . 48 TYR HD1 H 6.807 0.02 . 507 . 48 TYR HE1 H 6.523 0.02 . 508 . 48 TYR CD1 C 132.810 0.2 . 509 . 48 TYR CE1 C 117.341 0.2 . 510 . 48 TYR C C 172.561 0.2 . 511 . 49 ALA N N 126.146 0.2 . 512 . 49 ALA H H 9.110 0.02 . 513 . 49 ALA CA C 50.997 0.2 . 514 . 49 ALA HA H 4.871 0.02 . 515 . 49 ALA HB H 1.260 0.02 . 516 . 49 ALA CB C 21.594 0.2 . 517 . 49 ALA C C 174.470 0.2 . 518 . 50 MET N N 121.324 0.2 . 519 . 50 MET H H 8.733 0.02 . 520 . 50 MET CA C 53.098 0.2 . 521 . 50 MET HA H 5.611 0.02 . 522 . 50 MET CB C 37.415 0.2 . 523 . 50 MET HB2 H 1.693 0.02 . 524 . 50 MET HB3 H 1.784 0.02 . 525 . 50 MET CG C 31.218 0.2 . 526 . 50 MET HG2 H 2.068 0.02 . 527 . 50 MET HG3 H 2.093 0.02 . 528 . 50 MET C C 174.517 0.2 . 529 . 51 GLY N N 109.833 0.2 . 530 . 51 GLY H H 8.155 0.02 . 531 . 51 GLY CA C 45.002 0.2 . 532 . 51 GLY HA2 H 3.980 0.02 . 533 . 51 GLY HA3 H 4.033 0.02 . 534 . 51 GLY C C 172.423 0.2 . 535 . 52 PHE N N 121.852 0.2 . 536 . 52 PHE H H 8.604 0.02 . 537 . 52 PHE CA C 58.862 0.2 . 538 . 52 PHE HA H 5.372 0.02 . 539 . 52 PHE CB C 38.819 0.2 . 540 . 52 PHE HB2 H 2.751 0.02 . 541 . 52 PHE HB3 H 3.360 0.02 . 542 . 52 PHE HD1 H 7.240 0.02 . 543 . 52 PHE HE1 H 6.974 0.02 . 544 . 52 PHE HE2 H 6.979 0.02 . 545 . 52 PHE CD1 C 131.786 0.2 . 546 . 52 PHE CE1 C 130.169 0.2 . 547 . 52 PHE C C 172.364 0.2 . 548 . 53 ASP N N 124.109 0.2 . 549 . 53 ASP H H 8.905 0.02 . 550 . 53 ASP CA C 52.301 0.2 . 551 . 53 ASP HA H 5.059 0.02 . 552 . 53 ASP CB C 44.934 0.2 . 553 . 53 ASP HB2 H 2.482 0.02 . 554 . 53 ASP HB3 H 2.626 0.02 . 555 . 53 ASP C C 174.301 0.2 . 556 . 54 ASP N N 120.911 0.2 . 557 . 54 ASP H H 8.972 0.02 . 558 . 54 ASP CA C 53.477 0.2 . 559 . 54 ASP HA H 4.814 0.02 . 560 . 54 ASP CB C 41.632 0.2 . 561 . 54 ASP HB2 H 2.683 0.02 . 562 . 54 ASP HB3 H 2.855 0.02 . 563 . 54 ASP C C 172.948 0.2 . 564 . 55 THR N N 115.340 0.2 . 565 . 55 THR H H 7.745 0.02 . 566 . 55 THR CA C 61.583 0.2 . 567 . 55 THR HA H 4.328 0.02 . 568 . 55 THR CB C 70.860 0.2 . 569 . 55 THR HB H 3.959 0.02 . 570 . 55 THR HG2 H 1.000 0.02 . 571 . 55 THR CG2 C 20.861 0.2 . 572 . 55 THR C C 172.341 0.2 . 573 . 56 VAL N N 124.139 0.2 . 574 . 56 VAL H H 8.034 0.02 . 575 . 56 VAL CA C 61.571 0.2 . 576 . 56 VAL HA H 3.966 0.02 . 577 . 56 VAL CB C 32.472 0.2 . 578 . 56 VAL HB H 1.850 0.02 . 579 . 56 VAL HG1 H 0.831 0.02 . 580 . 56 VAL HG2 H 0.850 0.02 . 581 . 56 VAL CG1 C 20.664 0.2 . 582 . 56 VAL CG2 C 21.560 0.2 . 583 . 56 VAL C C 173.770 0.2 . 584 . 57 GLU N N 129.904 0.2 . 585 . 57 GLU H H 9.433 0.02 . 586 . 57 GLU CA C 54.388 0.2 . 587 . 57 GLU HA H 4.444 0.02 . 588 . 57 GLU CB C 31.084 0.2 . 589 . 57 GLU HB2 H 1.997 0.02 . 590 . 57 GLU HB3 H 1.829 0.02 . 591 . 57 GLU CG C 35.940 0.2 . 592 . 57 GLU HG2 H 2.067 0.02 . 593 . 57 GLU HG3 H 2.264 0.02 . 594 . 57 GLU C C 173.462 0.2 . 595 . 58 GLU N N 123.895 0.2 . 596 . 58 GLU H H 8.825 0.02 . 597 . 58 GLU CA C 58.398 0.2 . 598 . 58 GLU HA H 3.931 0.02 . 599 . 58 GLU CB C 28.951 0.2 . 600 . 58 GLU HB2 H 1.911 0.02 . 601 . 58 GLU HB3 H 1.972 0.02 . 602 . 58 GLU CG C 35.726 0.2 . 603 . 58 GLU HG2 H 2.231 0.02 . 604 . 58 GLU C C 173.518 0.2 . 605 . 59 GLY N N 114.102 0.2 . 606 . 59 GLY H H 8.577 0.02 . 607 . 59 GLY CA C 44.419 0.2 . 608 . 59 GLY HA2 H 3.966 0.02 . 609 . 59 GLY HA3 H 3.604 0.02 . 610 . 59 GLY C C 172.684 0.2 . 611 . 60 ASP N N 118.871 0.2 . 612 . 60 ASP H H 7.604 0.02 . 613 . 60 ASP CA C 55.616 0.2 . 614 . 60 ASP HA H 4.434 0.02 . 615 . 60 ASP CB C 41.105 0.2 . 616 . 60 ASP HB2 H 2.147 0.02 . 617 . 60 ASP HB3 H 2.648 0.02 . 618 . 60 ASP C C 171.978 0.2 . 619 . 61 HIS N N 122.568 0.2 . 620 . 61 HIS H H 8.838 0.02 . 621 . 61 HIS CA C 55.198 0.2 . 622 . 61 HIS HA H 4.232 0.02 . 623 . 61 HIS CB C 29.965 0.2 . 624 . 61 HIS HB2 H 3.287 0.02 . 625 . 61 HIS HB3 H 2.736 0.02 . 626 . 61 HIS CD2 C 119.483 0.2 . 627 . 61 HIS CE1 C 137.057 0.2 . 628 . 61 HIS HD2 H 7.260 0.02 . 629 . 61 HIS HE1 H 8.120 0.02 . 630 . 61 HIS C C 172.893 0.2 . 631 . 62 VAL N N 122.816 0.2 . 632 . 62 VAL H H 8.052 0.02 . 633 . 62 VAL CA C 60.878 0.2 . 634 . 62 VAL HA H 4.759 0.02 . 635 . 62 VAL CB C 32.507 0.2 . 636 . 62 VAL HB H 1.751 0.02 . 637 . 62 VAL HG1 H 0.775 0.02 . 638 . 62 VAL HG2 H 0.790 0.02 . 639 . 62 VAL CG1 C 21.261 0.2 . 640 . 62 VAL CG2 C 21.147 0.2 . 641 . 62 VAL C C 173.063 0.2 . 642 . 63 PHE N N 129.208 0.2 . 643 . 63 PHE H H 9.684 0.02 . 644 . 63 PHE CA C 56.312 0.2 . 645 . 63 PHE HA H 4.685 0.02 . 646 . 63 PHE CB C 41.657 0.2 . 647 . 63 PHE HB2 H 3.033 0.02 . 648 . 63 PHE HB3 H 3.320 0.02 . 649 . 63 PHE HD1 H 7.295 0.02 . 650 . 63 PHE HE1 H 6.863 0.02 . 651 . 63 PHE CD1 C 132.426 0.2 . 652 . 63 PHE C C 177.880 0.2 . 653 . 64 GLU N N 123.668 0.2 . 654 . 64 GLU H H 8.582 0.02 . 655 . 64 GLU CA C 55.863 0.2 . 656 . 64 GLU HA H 4.841 0.02 . 657 . 64 GLU CB C 31.403 0.2 . 658 . 64 GLU HB2 H 1.810 0.02 . 659 . 64 GLU HB3 H 1.975 0.02 . 660 . 64 GLU CG C 36.298 0.2 . 661 . 64 GLU HG2 H 2.040 0.02 . 662 . 64 GLU HG3 H 2.161 0.02 . 663 . 64 GLU C C 173.705 0.2 . 664 . 65 TYR N N 125.016 0.2 . 665 . 65 TYR H H 8.725 0.02 . 666 . 65 TYR CA C 56.985 0.2 . 667 . 65 TYR HA H 4.670 0.02 . 668 . 65 TYR CB C 40.558 0.2 . 669 . 65 TYR HB2 H 2.653 0.02 . 670 . 65 TYR HB3 H 3.210 0.02 . 671 . 65 TYR HD1 H 7.082 0.02 . 672 . 65 TYR HE1 H 6.829 0.02 . 673 . 65 TYR CD1 C 132.761 0.2 . 674 . 65 TYR CE1 C 118.091 0.2 . 675 . 65 TYR C C 173.067 0.2 . 676 . 66 ASP N N 122.414 0.2 . 677 . 66 ASP H H 8.745 0.02 . 678 . 66 ASP CA C 54.648 0.2 . 679 . 66 ASP HA H 4.420 0.02 . 680 . 66 ASP CB C 40.197 0.2 . 681 . 66 ASP HB2 H 2.539 0.02 . 682 . 66 ASP HB3 H 2.958 0.02 . 683 . 66 ASP C C 171.707 0.2 . 684 . 67 GLY N N 110.919 0.2 . 685 . 67 GLY H H 8.483 0.02 . 686 . 67 GLY CA C 45.273 0.2 . 687 . 67 GLY HA2 H 3.706 0.02 . 688 . 67 GLY HA3 H 4.202 0.02 . 689 . 67 GLY C C 176.061 0.2 . 690 . 68 VAL N N 118.197 0.2 . 691 . 68 VAL H H 7.712 0.02 . 692 . 68 VAL CA C 60.965 0.2 . 693 . 68 VAL HA H 4.374 0.02 . 694 . 68 VAL CB C 34.355 0.2 . 695 . 68 VAL HB H 2.220 0.02 . 696 . 68 VAL HG1 H 0.880 0.02 . 697 . 68 VAL HG2 H 0.974 0.02 . 698 . 68 VAL CG1 C 20.971 0.2 . 699 . 68 VAL CG2 C 22.231 0.2 . 700 . 68 VAL C C 175.455 0.2 . 701 . 69 LYS N N 125.333 0.2 . 702 . 69 LYS H H 7.804 0.02 . 703 . 69 LYS CA C 55.000 0.2 . 704 . 69 LYS HA H 5.183 0.02 . 705 . 69 LYS CB C 35.148 0.2 . 706 . 69 LYS HB2 H 1.625 0.02 . 707 . 69 LYS HB3 H 1.779 0.02 . 708 . 69 LYS CG C 25.354 0.2 . 709 . 69 LYS HG2 H 1.256 0.02 . 710 . 69 LYS HG3 H 1.530 0.02 . 711 . 69 LYS CD C 29.340 0.2 . 712 . 69 LYS HD2 H 1.621 0.02 . 713 . 69 LYS CE C 41.913 0.2 . 714 . 69 LYS HE2 H 2.858 0.02 . 715 . 69 LYS C C 173.753 0.2 . 716 . 70 VAL N N 126.001 0.2 . 717 . 70 VAL H H 9.366 0.02 . 718 . 70 VAL CA C 60.150 0.2 . 719 . 70 VAL HA H 5.351 0.02 . 720 . 70 VAL CB C 34.019 0.2 . 721 . 70 VAL HB H 2.322 0.02 . 722 . 70 VAL HG1 H 0.808 0.02 . 723 . 70 VAL HG2 H 1.040 0.02 . 724 . 70 VAL CG1 C 20.918 0.2 . 725 . 70 VAL CG2 C 21.687 0.2 . 726 . 70 VAL C C 173.698 0.2 . 727 . 71 VAL N N 123.789 0.2 . 728 . 71 VAL H H 9.165 0.02 . 729 . 71 VAL CA C 58.391 0.2 . 730 . 71 VAL HA H 5.542 0.02 . 731 . 71 VAL CB C 34.685 0.2 . 732 . 71 VAL HB H 1.759 0.02 . 733 . 71 VAL HG1 H 0.808 0.02 . 734 . 71 VAL HG2 H 0.858 0.02 . 735 . 71 VAL CG1 C 20.000 0.2 . 736 . 71 VAL CG2 C 22.141 0.2 . 737 . 72 ILE N N 123.090 0.2 . 738 . 72 ILE H H 8.729 0.02 . 739 . 72 ILE CA C 60.355 0.2 . 740 . 72 ILE HA H 4.584 0.02 . 741 . 72 ILE CB C 41.378 0.2 . 742 . 72 ILE HB H 1.825 0.02 . 743 . 72 ILE HG2 H 0.862 0.02 . 744 . 72 ILE CG2 C 17.280 0.2 . 745 . 72 ILE CG1 C 27.427 0.2 . 746 . 72 ILE HG12 H 0.751 0.02 . 747 . 72 ILE HG13 H 1.368 0.02 . 748 . 72 ILE HD1 H -0.129 0.02 . 749 . 72 ILE CD1 C 12.492 0.2 . 750 . 73 ASP CA C 55.000 0.2 . 751 . 73 ASP HA H 4.500 0.02 . 752 . 73 ASP HB2 H 1.900 0.02 . 753 . 73 ASP HB3 H 2.100 0.02 . 754 . 74 PRO CD C 50.16 0.2 . 755 . 74 PRO CA C 65.926 0.2 . 756 . 74 PRO HA H 4.334 0.02 . 757 . 74 PRO CB C 31.878 0.2 . 758 . 74 PRO HB2 H 1.839 0.02 . 759 . 74 PRO HB3 H 2.342 0.02 . 760 . 74 PRO CG C 27.478 0.2 . 761 . 74 PRO HG2 H 1.978 0.02 . 762 . 74 PRO HG3 H 2.014 0.02 . 763 . 74 PRO HD2 H 3.639 0.02 . 764 . 74 PRO HD3 H 3.915 0.02 . 765 . 74 PRO C C 177.846 0.2 . 766 . 75 PHE N N 120.184 0.2 . 767 . 75 PHE H H 8.405 0.02 . 768 . 75 PHE CA C 59.837 0.2 . 769 . 75 PHE HA H 4.434 0.02 . 770 . 75 PHE CB C 37.993 0.2 . 771 . 75 PHE HB2 H 3.236 0.02 . 772 . 75 PHE HB3 H 3.354 0.02 . 773 . 75 PHE HD1 H 7.337 0.02 . 774 . 75 PHE HE1 H 7.233 0.02 . 775 . 75 PHE CD1 C 131.515 0.2 . 776 . 75 PHE CE1 C 131.191 0.2 . 777 . 75 PHE CZ C 129.572 0.2 . 778 . 75 PHE HZ H 7.250 0.02 . 779 . 75 PHE C C 172.019 0.2 . 780 . 76 SER N N 118.290 0.2 . 781 . 76 SER H H 8.373 0.02 . 782 . 76 SER CA C 61.892 0.2 . 783 . 76 SER HA H 4.171 0.02 . 784 . 76 SER CB C 62.923 0.2 . 785 . 76 SER HB2 H 3.552 0.02 . 786 . 76 SER HB3 H 4.031 0.02 . 787 . 76 SER C C 175.842 0.2 . 788 . 77 MET N N 118.747 0.2 . 789 . 77 MET H H 7.699 0.02 . 790 . 77 MET CA C 58.342 0.2 . 791 . 77 MET HA H 4.174 0.02 . 792 . 77 MET CB C 33.054 0.2 . 793 . 77 MET HB2 H 2.226 0.02 . 794 . 77 MET CG C 34.000 0.2 . 795 . 77 MET HG2 H 1.480 0.02 . 796 . 77 MET HG3 H 1.792 0.02 . 797 . 77 MET HE H 2.052 0.02 . 798 . 77 MET CE C 40.771 0.2 . 799 . 78 PRO CD C 50.089 0.2 . 800 . 78 PRO CA C 65.711 0.2 . 801 . 78 PRO HA H 4.190 0.02 . 802 . 78 PRO CB C 30.697 0.2 . 803 . 78 PRO HB2 H 1.341 0.02 . 804 . 78 PRO HB3 H 2.209 0.02 . 805 . 78 PRO CG C 28.344 0.2 . 806 . 78 PRO HG2 H 1.808 0.02 . 807 . 78 PRO HD2 H 3.367 0.02 . 808 . 78 PRO HD3 H 3.483 0.02 . 809 . 78 PRO C C 175.741 0.2 . 810 . 79 TYR N N 112.178 0.2 . 811 . 79 TYR H H 7.164 0.02 . 812 . 79 TYR CA C 59.628 0.2 . 813 . 79 TYR HA H 4.206 0.02 . 814 . 79 TYR CB C 38.742 0.2 . 815 . 79 TYR HB2 H 2.709 0.02 . 816 . 79 TYR HB3 H 2.914 0.02 . 817 . 79 TYR HD1 H 6.944 0.02 . 818 . 79 TYR HE1 H 6.517 0.02 . 819 . 79 TYR CD1 C 132.407 0.2 . 820 . 79 TYR CE1 C 118.198 0.2 . 821 . 79 TYR C C 173.745 0.2 . 822 . 80 VAL N N 107.728 0.2 . 823 . 80 VAL H H 7.520 0.02 . 824 . 80 VAL CA C 59.204 0.2 . 825 . 80 VAL HA H 4.494 0.02 . 826 . 80 VAL CB C 31.853 0.2 . 827 . 80 VAL HB H 2.711 0.02 . 828 . 80 VAL HG1 H 0.761 0.02 . 829 . 80 VAL HG2 H 0.801 0.02 . 830 . 80 VAL CG1 C 19.363 0.2 . 831 . 80 VAL CG2 C 22.696 0.2 . 832 . 80 VAL C C 174.174 0.2 . 833 . 81 ASN N N 120.273 0.2 . 834 . 81 ASN H H 7.083 0.02 . 835 . 81 ASN CA C 55.657 0.2 . 836 . 81 ASN HA H 4.779 0.02 . 837 . 81 ASN CB C 38.229 0.2 . 838 . 81 ASN HB2 H 2.777 0.02 . 839 . 81 ASN HB3 H 3.082 0.02 . 840 . 81 ASN C C 172.777 0.2 . 841 . 82 GLY N N 118.356 0.2 . 842 . 82 GLY H H 9.781 0.02 . 843 . 82 GLY CA C 44.634 0.2 . 844 . 82 GLY HA2 H 3.268 0.02 . 845 . 82 GLY HA3 H 4.227 0.02 . 846 . 82 GLY C C 172.748 0.2 . 847 . 83 ALA N N 122.440 0.2 . 848 . 83 ALA H H 8.227 0.02 . 849 . 83 ALA CA C 51.144 0.2 . 850 . 83 ALA HA H 4.550 0.02 . 851 . 83 ALA HB H 1.380 0.02 . 852 . 83 ALA CB C 20.283 0.2 . 853 . 83 ALA C C 173.181 0.2 . 854 . 84 GLU N N 115.937 0.2 . 855 . 84 GLU H H 7.922 0.02 . 856 . 84 GLU CA C 52.893 0.2 . 857 . 84 GLU HA H 4.729 0.02 . 858 . 84 GLU CB C 34.728 0.2 . 859 . 84 GLU HB2 H 1.807 0.02 . 860 . 84 GLU CG C 37.549 0.2 . 861 . 84 GLU HG2 H 1.553 0.02 . 862 . 84 GLU HG3 H 1.614 0.02 . 863 . 84 GLU C C 174.284 0.2 . 864 . 85 LEU N N 130.245 0.2 . 865 . 85 LEU H H 8.696 0.02 . 866 . 85 LEU CA C 53.596 0.2 . 867 . 85 LEU HA H 5.064 0.02 . 868 . 85 LEU CB C 44.470 0.2 . 869 . 85 LEU HB2 H 1.304 0.02 . 870 . 85 LEU HB3 H 1.984 0.02 . 871 . 85 LEU CG C 27.322 0.2 . 872 . 85 LEU HG H 1.548 0.02 . 873 . 85 LEU HD1 H 0.766 0.02 . 874 . 85 LEU HD2 H 1.055 0.02 . 875 . 85 LEU CD1 C 26.016 0.2 . 876 . 85 LEU CD2 C 24.488 0.2 . 877 . 85 LEU C C 172.676 0.2 . 878 . 86 ASP N N 127.202 0.2 . 879 . 86 ASP H H 9.237 0.02 . 880 . 86 ASP CA C 50.509 0.2 . 881 . 86 ASP HA H 5.480 0.02 . 882 . 86 ASP CB C 45.506 0.2 . 883 . 86 ASP HB2 H 2.518 0.02 . 884 . 86 ASP HB3 H 2.440 0.02 . 885 . 86 ASP C C 175.488 0.2 . 886 . 87 TYR N N 123.817 0.2 . 887 . 87 TYR H H 8.706 0.02 . 888 . 87 TYR CA C 57.295 0.2 . 889 . 87 TYR HA H 4.563 0.02 . 890 . 87 TYR CB C 41.435 0.2 . 891 . 87 TYR HB2 H 2.091 0.02 . 892 . 87 TYR HB3 H 2.260 0.02 . 893 . 87 TYR HD1 H 5.595 0.02 . 894 . 87 TYR HE1 H 6.220 0.02 . 895 . 87 TYR CD1 C 131.868 0.2 . 896 . 87 TYR CE1 C 117.267 0.2 . 897 . 87 TYR C C 176.299 0.2 . 898 . 88 VAL N N 126.007 0.2 . 899 . 88 VAL H H 7.965 0.02 . 900 . 88 VAL CA C 60.043 0.2 . 901 . 88 VAL HA H 4.058 0.02 . 902 . 88 VAL CB C 34.355 0.2 . 903 . 88 VAL HB H 1.715 0.02 . 904 . 88 VAL HG1 H 0.711 0.02 . 905 . 88 VAL HG2 H 0.657 0.02 . 906 . 88 VAL CG1 C 20.988 0.2 . 907 . 88 VAL CG2 C 20.223 0.2 . 908 . 88 VAL C C 172.440 0.2 . 909 . 89 VAL N N 124.789 0.2 . 910 . 89 VAL H H 8.258 0.02 . 911 . 89 VAL CA C 61.946 0.2 . 912 . 89 VAL HA H 4.046 0.02 . 913 . 89 VAL CB C 32.409 0.2 . 914 . 89 VAL HB H 1.905 0.02 . 915 . 89 VAL HG1 H 0.888 0.02 . 916 . 89 VAL HG2 H 0.832 0.02 . 917 . 89 VAL CG1 C 20.871 0.2 . 918 . 89 VAL CG2 C 20.820 0.2 . 919 . 89 VAL C C 176.347 0.2 . 920 . 90 ASP N N 125.340 0.2 . 921 . 90 ASP H H 8.027 0.02 . 922 . 90 ASP CA C 52.526 0.2 . 923 . 90 ASP HA H 4.631 0.02 . 924 . 90 ASP CB C 41.947 0.2 . 925 . 90 ASP HB2 H 2.566 0.02 . 926 . 90 ASP HB3 H 2.828 0.02 . 927 . 90 ASP C C 172.937 0.2 . 928 . 91 PHE N N 119.356 0.2 . 929 . 91 PHE H H 8.205 0.02 . 930 . 91 PHE CA C 59.045 0.2 . 931 . 91 PHE HA H 4.412 0.02 . 932 . 91 PHE CB C 38.305 0.2 . 933 . 91 PHE HB2 H 3.084 0.02 . 934 . 91 PHE HD1 H 7.201 0.02 . 935 . 91 PHE HE1 H 7.284 0.02 . 936 . 91 PHE CD1 C 131.451 0.2 . 937 . 91 PHE CE1 C 129.572 0.2 . 938 . 91 PHE CZ C 131.191 0.2 . 939 . 91 PHE HZ H 7.339 0.02 . 940 . 91 PHE C C 177.984 0.2 . 941 . 92 MET N N 119.745 0.2 . 942 . 92 MET H H 8.301 0.02 . 943 . 92 MET CA C 54.766 0.2 . 944 . 92 MET HA H 4.329 0.02 . 945 . 92 MET CB C 31.504 0.2 . 946 . 92 MET HB2 H 1.856 0.02 . 947 . 92 MET HB3 H 2.010 0.02 . 948 . 92 MET CG C 31.745 0.2 . 949 . 92 MET HG2 H 2.158 0.02 . 950 . 92 MET C C 175.800 0.2 . 951 . 93 GLY N N 110.241 0.2 . 952 . 93 GLY H H 8.029 0.02 . 953 . 93 GLY CA C 44.931 0.2 . 954 . 93 GLY HA2 H 4.306 0.02 . 955 . 93 GLY HA3 H 3.725 0.02 . 956 . 93 GLY C C 172.763 0.2 . 957 . 94 GLY N N 110.981 0.2 . 958 . 94 GLY H H 8.233 0.02 . 959 . 94 GLY CA C 44.536 0.2 . 960 . 94 GLY HA2 H 4.222 0.02 . 961 . 94 GLY HA3 H 3.896 0.02 . 962 . 94 GLY C C 174.082 0.2 . 963 . 95 GLY N N 108.699 0.2 . 964 . 95 GLY H H 7.517 0.02 . 965 . 95 GLY CA C 44.826 0.2 . 966 . 95 GLY HA2 H 3.919 0.02 . 967 . 95 GLY HA3 H 3.691 0.02 . 968 . 96 PHE N N 119.998 0.2 . 969 . 96 PHE H H 8.723 0.02 . 970 . 96 PHE CA C 58.476 0.2 . 971 . 96 PHE HA H 5.220 0.02 . 972 . 96 PHE CB C 40.496 0.2 . 973 . 96 PHE HB2 H 2.948 0.02 . 974 . 96 PHE HD1 H 7.389 0.02 . 975 . 96 PHE HE1 H 7.320 0.02 . 976 . 96 PHE CD1 C 132.163 0.2 . 977 . 96 PHE CE1 C 131.515 0.2 . 978 . 96 PHE CZ C 132.487 0.2 . 979 . 96 PHE HZ H 7.450 0.02 . 980 . 96 PHE C C 173.560 0.2 . 981 . 97 THR N N 116.142 0.2 . 982 . 97 THR H H 8.807 0.02 . 983 . 97 THR CA C 59.550 0.2 . 984 . 97 THR HA H 4.958 0.02 . 985 . 97 THR CB C 70.625 0.2 . 986 . 97 THR HB H 3.829 0.02 . 987 . 97 THR HG2 H 0.867 0.02 . 988 . 97 THR CG2 C 20.119 0.2 . 989 . 98 ILE H H 8.520 0.02 . 990 . 98 ILE CA C 58.976 0.2 . 991 . 98 ILE HA H 5.075 0.02 . 992 . 98 ILE CB C 40.103 0.2 . 993 . 98 ILE HB H 1.300 0.02 . 994 . 98 ILE HG2 H 0.400 0.02 . 995 . 98 ILE CG2 C 16.915 0.2 . 996 . 98 ILE CG1 C 29.164 0.2 . 997 . 98 ILE HG12 H 0.717 0.02 . 998 . 98 ILE HG13 H 1.321 0.02 . 999 . 98 ILE HD1 H 0.425 0.02 . 1000 . 98 ILE CD1 C 12.382 0.2 . 1001 . 99 ARG N N 129.536 0.2 . 1002 . 99 ARG H H 8.947 0.02 . 1003 . 99 ARG CA C 55.015 0.2 . 1004 . 99 ARG HA H 4.697 0.02 . 1005 . 99 ARG CB C 31.191 0.2 . 1006 . 99 ARG HB2 H 1.705 0.02 . 1007 . 99 ARG HB3 H 1.808 0.02 . 1008 . 99 ARG CG C 27.720 0.2 . 1009 . 99 ARG HG2 H 1.456 0.02 . 1010 . 99 ARG HG3 H 1.480 0.02 . 1011 . 99 ARG CD C 43.032 0.2 . 1012 . 99 ARG HD2 H 3.117 0.02 . 1013 . 99 ARG HD3 H 3.143 0.02 . 1014 . 100 ASN CA C 49.020 0.2 . 1015 . 100 ASN HA H 5.156 0.02 . 1016 . 100 ASN CB C 40.330 0.2 . 1017 . 100 ASN HB2 H 2.464 0.02 . 1018 . 100 ASN HB3 H 3.336 0.02 . 1019 . 101 PRO CD C 50.621 0.2 . 1020 . 101 PRO CA C 63.557 0.2 . 1021 . 101 PRO HA H 4.455 0.02 . 1022 . 101 PRO CB C 31.566 0.2 . 1023 . 101 PRO HB2 H 2.015 0.02 . 1024 . 101 PRO HB3 H 2.272 0.02 . 1025 . 101 PRO CG C 26.250 0.2 . 1026 . 101 PRO HG2 H 1.929 0.02 . 1027 . 101 PRO HD2 H 3.651 0.02 . 1028 . 101 PRO HD3 H 3.769 0.02 . 1029 . 101 PRO C C 174.697 0.2 . 1030 . 102 ASN N N 115.375 0.2 . 1031 . 102 ASN H H 7.941 0.02 . 1032 . 102 ASN CA C 53.001 0.2 . 1033 . 102 ASN HA H 4.641 0.02 . 1034 . 102 ASN CB C 38.774 0.2 . 1035 . 102 ASN HB2 H 2.772 0.02 . 1036 . 102 ASN HB3 H 2.916 0.02 . 1037 . 102 ASN C C 174.772 0.2 . 1038 . 103 ALA N N 122.618 0.2 . 1039 . 103 ALA H H 7.764 0.02 . 1040 . 103 ALA CA C 51.956 0.2 . 1041 . 103 ALA HA H 4.501 0.02 . 1042 . 103 ALA HB H 1.490 0.02 . 1043 . 103 ALA CB C 19.515 0.2 . 1044 . 103 ALA C C 174.202 0.2 . 1045 . 104 THR N N 114.786 0.2 . 1046 . 104 THR H H 8.206 0.02 . 1047 . 104 THR CA C 61.754 0.2 . 1048 . 104 THR HA H 4.368 0.02 . 1049 . 104 THR CB C 69.740 0.2 . 1050 . 104 THR HB H 4.273 0.02 . 1051 . 104 THR HG2 H 1.212 0.02 . 1052 . 104 THR CG2 C 21.418 0.2 . 1053 . 104 THR C C 174.975 0.2 . 1054 . 105 GLY N N 111.284 0.2 . 1055 . 105 GLY H H 8.431 0.02 . 1056 . 105 GLY CA C 45.105 0.2 . 1057 . 105 GLY HA3 H 4.036 0.02 . 1058 . 105 GLY C C 173.476 0.2 . 1059 . 106 SER N N 116.860 0.2 . 1060 . 106 SER H H 8.404 0.02 . 1061 . 106 SER CA C 58.325 0.2 . 1062 . 106 SER HA H 4.521 0.02 . 1063 . 106 SER CB C 63.466 0.2 . 1064 . 106 SER HB2 H 3.906 0.02 . 1065 . 106 SER HB3 H 3.940 0.02 . 1066 . 106 SER C C 172.524 0.2 . 1067 . 107 CYS N N 120.878 0.2 . 1068 . 107 CYS H H 8.446 0.02 . 1069 . 107 CYS CA C 58.426 0.2 . 1070 . 107 CYS HA H 4.566 0.02 . 1071 . 107 CYS CB C 27.992 0.2 . 1072 . 107 CYS HB2 H 2.946 0.02 . 1073 . 107 CYS C C 176.581 0.2 . 1074 . 108 GLY N N 112.769 0.2 . 1075 . 108 GLY H H 8.443 0.02 . 1076 . 108 GLY CA C 45.426 0.2 . 1077 . 108 GLY HA3 H 4.033 0.02 . 1078 . 108 GLY C C 177.794 0.2 . 1079 . 109 CYS N N 119.701 0.2 . 1080 . 109 CYS H H 8.287 0.02 . 1081 . 109 CYS CA C 58.396 0.2 . 1082 . 109 CYS HA H 4.588 0.02 . 1083 . 109 CYS CB C 27.956 0.2 . 1084 . 109 CYS HB2 H 2.945 0.02 . 1085 . 109 CYS C C 175.722 0.2 . 1086 . 110 GLY N N 113.280 0.2 . 1087 . 110 GLY H H 8.546 0.02 . 1088 . 110 GLY CA C 44.600 0.2 . 1089 . 110 GLY HA3 H 4.039 0.02 . 1090 . 110 GLY C C 172.002 0.2 . 1091 . 111 SER N N 115.266 0.2 . 1092 . 111 SER H H 8.219 0.02 . 1093 . 111 SER CA C 57.837 0.2 . 1094 . 111 SER HA H 4.651 0.02 . 1095 . 111 SER CB C 64.231 0.2 . 1096 . 111 SER HB2 H 3.879 0.02 . 1097 . 111 SER C C 177.139 0.2 . 1098 . 112 SER N N 118.162 0.2 . 1099 . 112 SER H H 8.298 0.02 . 1100 . 112 SER CA C 58.273 0.2 . 1101 . 112 SER HA H 4.707 0.02 . 1102 . 112 SER CB C 63.964 0.2 . 1103 . 112 SER HB2 H 3.898 0.02 . 1104 . 112 SER C C 176.482 0.2 . 1105 . 113 PHE N N 121.321 0.2 . 1106 . 113 PHE H H 8.408 0.02 . 1107 . 113 PHE CA C 56.998 0.2 . 1108 . 113 PHE HA H 4.929 0.02 . 1109 . 113 PHE CB C 40.294 0.2 . 1110 . 113 PHE HB2 H 2.974 0.02 . 1111 . 113 PHE HD1 H 7.137 0.02 . 1112 . 113 PHE HE1 H 7.337 0.02 . 1113 . 113 PHE C C 173.871 0.2 . 1114 . 114 SER N N 119.421 0.2 . 1115 . 114 SER H H 8.678 0.02 . 1116 . 114 SER CA C 58.238 0.2 . 1117 . 114 SER HA H 4.681 0.02 . 1118 . 114 SER CB C 63.573 0.2 . 1119 . 114 SER HB2 H 3.918 0.02 . 1120 . 115 CYS CA C 57.535 0.2 . 1121 . 115 CYS HA H 4.745 0.02 . 1122 . 115 CYS CB C 28.748 0.2 . 1123 . 115 CYS HB2 H 2.784 0.02 . 1124 . 115 CYS HB3 H 2.984 0.02 . 1125 . 115 CYS C C 173.585 0.2 . 1126 . 116 GLY N N 113.043 0.2 . 1127 . 116 GLY H H 8.619 0.02 . 1128 . 116 GLY CA C 44.746 0.2 . 1129 . 116 GLY HA2 H 4.385 0.02 . 1130 . 116 GLY HA3 H 3.944 0.02 . stop_ save_