data_15694 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Apple Domains 1 and 2 from Toxoplasma gondii microneme protein 4 ; _BMRB_accession_number 15694 _BMRB_flat_file_name bmr15694.str _Entry_type original _Submission_date 2008-03-26 _Accession_date 2008-03-26 _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 Marchant Jan . . 2 Sawmynaden Kovilen . . 3 Saouros Savvas . . 4 Simpson Peter . . 5 Matthews Steve . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 863 "13C chemical shifts" 649 "15N chemical shifts" 168 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'add PubMed ID' 2008-12-02 update BMRB 'complete entry citation' 2008-07-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Complete resonance assignment of the first and second apple domains of MIC4 from Toxoplasma gondii, using a new NMRView-based assignment aid' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636884 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marchant Jan . . 2 Sawmynaden Kovilen . . 3 Saouros Savvas . . 4 Simpson Peter . . 5 Matthews Stephen . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 2 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 119 _Page_last 121 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MIC4_Ap12 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $MIC4_Ap12 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MIC4_Ap12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MIC4_Ap12 _Molecular_mass 18711.6 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; SSEPAKLDLSCVHSDNKGSR APTIGEPVPDVSLEQCAAQC KAVDGCTHFTYNDDSKMCHV KEGKPDLYDLTGGKTASRSC DRSCFEQHVSYEGAPDVMTA MVTSQSADCQAACAADPSCE IFTYNEHDQKCTFKGRGFSA FKERGVLGVTSGPKQFCDEG GKLTQEEMEDQISG ; loop_ _Residue_seq_code _Residue_label 1 SER 2 SER 3 GLU 4 PRO 5 ALA 6 LYS 7 LEU 8 ASP 9 LEU 10 SER 11 CYS 12 VAL 13 HIS 14 SER 15 ASP 16 ASN 17 LYS 18 GLY 19 SER 20 ARG 21 ALA 22 PRO 23 THR 24 ILE 25 GLY 26 GLU 27 PRO 28 VAL 29 PRO 30 ASP 31 VAL 32 SER 33 LEU 34 GLU 35 GLN 36 CYS 37 ALA 38 ALA 39 GLN 40 CYS 41 LYS 42 ALA 43 VAL 44 ASP 45 GLY 46 CYS 47 THR 48 HIS 49 PHE 50 THR 51 TYR 52 ASN 53 ASP 54 ASP 55 SER 56 LYS 57 MET 58 CYS 59 HIS 60 VAL 61 LYS 62 GLU 63 GLY 64 LYS 65 PRO 66 ASP 67 LEU 68 TYR 69 ASP 70 LEU 71 THR 72 GLY 73 GLY 74 LYS 75 THR 76 ALA 77 SER 78 ARG 79 SER 80 CYS 81 ASP 82 ARG 83 SER 84 CYS 85 PHE 86 GLU 87 GLN 88 HIS 89 VAL 90 SER 91 TYR 92 GLU 93 GLY 94 ALA 95 PRO 96 ASP 97 VAL 98 MET 99 THR 100 ALA 101 MET 102 VAL 103 THR 104 SER 105 GLN 106 SER 107 ALA 108 ASP 109 CYS 110 GLN 111 ALA 112 ALA 113 CYS 114 ALA 115 ALA 116 ASP 117 PRO 118 SER 119 CYS 120 GLU 121 ILE 122 PHE 123 THR 124 TYR 125 ASN 126 GLU 127 HIS 128 ASP 129 GLN 130 LYS 131 CYS 132 THR 133 PHE 134 LYS 135 GLY 136 ARG 137 GLY 138 PHE 139 SER 140 ALA 141 PHE 142 LYS 143 GLU 144 ARG 145 GLY 146 VAL 147 LEU 148 GLY 149 VAL 150 THR 151 SER 152 GLY 153 PRO 154 LYS 155 GLN 156 PHE 157 CYS 158 ASP 159 GLU 160 GLY 161 GLY 162 LYS 163 LEU 164 THR 165 GLN 166 GLU 167 GLU 168 MET 169 GLU 170 ASP 171 GLN 172 ILE 173 SER 174 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 18039 MICRONEMAL_PROTEIN_4 92.53 161 100.00 100.00 4.05e-114 PDB 4A5V "Solution Structure Ensemble Of The Two N-Terminal Apple Domains (Residues 58-231) Of Toxoplasma Gondii Microneme Protein 4" 92.53 161 100.00 100.00 4.05e-114 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MIC4_Ap12 'Toxoplasma gondii' 5811 Eukaryota . Toxoplasma gondii 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 $MIC4_Ap12 'recombinant technology' . Escherichia coli . 'pET-32 Xa/LIC' 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 $MIC4_Ap12 300 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 TSP C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0 external direct . . . 1.0 TSP N 15 'methyl protons' ppm 0 external 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name protein _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 2 2 SER H H 8.331 . 1 2 2 2 SER HA H 4.468 . 1 3 2 2 SER HB2 H 3.844 . 2 4 2 2 SER HB3 H 3.844 . 2 5 2 2 SER CA C 58.203 . 1 6 2 2 SER CB C 63.874 . 1 7 2 2 SER N N 118.7260 . 1 8 3 3 GLU H H 8.153 . 1 9 3 3 GLU HA H 4.579 . 1 10 3 3 GLU HB2 H 1.992 . 2 11 3 3 GLU HB3 H 1.832 . 2 12 3 3 GLU HG2 H 2.242 . 2 13 3 3 GLU HG3 H 2.242 . 2 14 3 3 GLU C C 174.473 . 1 15 3 3 GLU CA C 54.138 . 1 16 3 3 GLU CB C 29.777 . 1 17 3 3 GLU CG C 35.957 . 1 18 3 3 GLU N N 122.029 . 1 19 4 4 PRO HA H 4.684 . 1 20 4 4 PRO HB2 H 2.333 . 2 21 4 4 PRO HB3 H 2.090 . 2 22 4 4 PRO HD2 H 3.513 . 2 23 4 4 PRO HD3 H 3.453 . 2 24 4 4 PRO HG2 H 1.896 . 2 25 4 4 PRO HG3 H 1.799 . 2 26 4 4 PRO C C 175.863 . 1 27 4 4 PRO CA C 62.486 . 1 28 4 4 PRO CB C 34.237 . 1 29 4 4 PRO CD C 50.060 . 1 30 4 4 PRO CG C 24.761 . 1 31 5 5 ALA H H 8.491 . 1 32 5 5 ALA HA H 4.218 . 1 33 5 5 ALA HB H 1.347 . 1 34 5 5 ALA C C 177.519 . 1 35 5 5 ALA CA C 52.652 . 1 36 5 5 ALA CB C 19.665 . 1 37 5 5 ALA N N 125.272 . 1 38 6 6 LYS H H 7.841 . 1 39 6 6 LYS HA H 4.274 . 1 40 6 6 LYS HB2 H 1.752 . 2 41 6 6 LYS HB3 H 1.630 . 2 42 6 6 LYS HD2 H 1.690 . 2 43 6 6 LYS HD3 H 1.600 . 2 44 6 6 LYS HE2 H 2.960 . 2 45 6 6 LYS HE3 H 2.942 . 2 46 6 6 LYS HG2 H 1.390 . 2 47 6 6 LYS HG3 H 1.360 . 2 48 6 6 LYS C C 176.434 . 1 49 6 6 LYS CA C 55.960 . 1 50 6 6 LYS CB C 33.075 . 1 51 6 6 LYS CD C 28.962 . 1 52 6 6 LYS CE C 42.193 . 1 53 6 6 LYS CG C 24.671 . 1 54 6 6 LYS N N 125.732 . 1 55 7 7 LEU H H 8.212 . 1 56 7 7 LEU HA H 4.240 . 1 57 7 7 LEU HB2 H 1.444 . 2 58 7 7 LEU HB3 H 1.269 . 2 59 7 7 LEU HD1 H 0.881 . 2 60 7 7 LEU HD2 H 0.774 . 2 61 7 7 LEU HG H 1.583 . 1 62 7 7 LEU C C 176.048 . 1 63 7 7 LEU CA C 54.742 . 1 64 7 7 LEU CB C 42.903 . 1 65 7 7 LEU CD1 C 25.209 . 1 66 7 7 LEU CD2 C 23.866 . 1 67 7 7 LEU CG C 27.001 . 1 68 7 7 LEU N N 123.953 . 1 69 8 8 ASP H H 8.460 . 1 70 8 8 ASP HA H 4.414 . 1 71 8 8 ASP HB2 H 2.650 . 2 72 8 8 ASP HB3 H 2.522 . 2 73 8 8 ASP C C 175.515 . 1 74 8 8 ASP CA C 53.474 . 1 75 8 8 ASP CB C 40.447 . 1 76 8 8 ASP N N 122.924 . 1 77 9 9 LEU H H 8.499 . 1 78 9 9 LEU HA H 4.765 . 1 79 9 9 LEU HB2 H 1.813 . 2 80 9 9 LEU HB3 H 1.481 . 2 81 9 9 LEU HD1 H 0.792 . 2 82 9 9 LEU HD2 H 0.660 . 2 83 9 9 LEU HG H 1.472 . 1 84 9 9 LEU C C 179.202 . 1 85 9 9 LEU CA C 53.353 . 1 86 9 9 LEU CB C 40.532 . 1 87 9 9 LEU CD1 C 26.300 . 1 88 9 9 LEU CD2 C 22.547 . 1 89 9 9 LEU CG C 26.303 . 1 90 9 9 LEU N N 127.841 . 1 91 10 10 SER H H 8.778 . 1 92 10 10 SER HA H 4.087 . 1 93 10 10 SER HB2 H 4.013 . 2 94 10 10 SER HB3 H 4.041 . 2 95 10 10 SER CA C 61.482 . 1 96 10 10 SER CB C 62.904 . 1 97 10 10 SER N N 117.426 . 1 98 11 11 CYS H H 8.730 . 1 99 11 11 CYS HA H 5.124 . 1 100 11 11 CYS HB2 H 3.110 . 2 101 11 11 CYS HB3 H 2.956 . 2 102 11 11 CYS C C 172.994 . 1 103 11 11 CYS CA C 57.979 . 1 104 11 11 CYS CB C 33.116 . 1 105 11 11 CYS N N 116.624 . 1 106 12 12 VAL H H 7.198 . 1 107 12 12 VAL HA H 4.003 . 1 108 12 12 VAL HB H 2.047 . 1 109 12 12 VAL HG1 H 1.056 . 2 110 12 12 VAL HG2 H 1.028 . 2 111 12 12 VAL C C 176.319 . 1 112 12 12 VAL CA C 61.907 . 1 113 12 12 VAL CB C 31.798 . 1 114 12 12 VAL CG1 C 23.418 . 1 115 12 12 VAL CG2 C 21.717 . 1 116 12 12 VAL N N 122.591 . 1 117 13 13 HIS H H 9.138 . 1 118 13 13 HIS HA H 4.316 . 1 119 13 13 HIS HB2 H 3.310 . 2 120 13 13 HIS HB3 H 3.310 . 2 121 13 13 HIS HD2 H 7.195 . 1 122 13 13 HIS HE1 H 8.748 . 1 123 13 13 HIS C C 175.491 . 1 124 13 13 HIS CA C 58.168 . 1 125 13 13 HIS CB C 29.032 . 1 126 13 13 HIS CD2 C 119.66 . 1 127 13 13 HIS CE1 C 137.156 . 1 128 13 13 HIS N N 124.902 . 1 129 14 14 SER HA H 4.792 . 1 130 14 14 SER HB2 H 4.164 . 2 131 14 14 SER HB3 H 3.816 . 2 132 14 14 SER C C 173.964 . 1 133 14 14 SER CA C 57.362 . 1 134 14 14 SER CB C 64.079 . 1 135 15 15 ASP H H 9.253 . 1 136 15 15 ASP HA H 4.746 . 1 137 15 15 ASP HB2 H 3.090 . 2 138 15 15 ASP HB3 H 2.570 . 2 139 15 15 ASP C C 175.263 . 1 140 15 15 ASP CA C 52.167 . 1 141 15 15 ASP CB C 38.285 . 1 142 15 15 ASP N N 120.455 . 1 143 16 16 ASN H H 8.799 . 1 144 16 16 ASN HA H 4.572 . 1 145 16 16 ASN HB2 H 3.036 . 2 146 16 16 ASN HB3 H 2.664 . 2 147 16 16 ASN HD21 H 7.786 . 2 148 16 16 ASN HD22 H 7.108 . 2 149 16 16 ASN C C 175.192 . 1 150 16 16 ASN CA C 55.334 . 1 151 16 16 ASN CB C 37.276 . 1 152 16 16 ASN N N 116.319 . 1 153 16 16 ASN ND2 N 116.903 . 1 154 17 17 LYS H H 7.579 . 1 155 17 17 LYS HA H 5.292 . 1 156 17 17 LYS HB2 H 1.250 . 2 157 17 17 LYS HB3 H 0.938 . 2 158 17 17 LYS HD2 H 1.564 . 2 159 17 17 LYS HD3 H 1.145 . 2 160 17 17 LYS HE2 H 2.880 . 2 161 17 17 LYS HE3 H 2.769 . 2 162 17 17 LYS HG2 H 1.174 . 2 163 17 17 LYS HG3 H 1.077 . 2 164 17 17 LYS C C 176.862 . 1 165 17 17 LYS CA C 52.615 . 1 166 17 17 LYS CB C 36.584 . 1 167 17 17 LYS CD C 28.523 . 1 168 17 17 LYS CE C 42.495 . 1 169 17 17 LYS CG C 24.224 . 1 170 17 17 LYS N N 116.510 . 1 171 18 18 GLY H H 8.467 . 1 172 18 18 GLY HA2 H 3.992 . 2 173 18 18 GLY HA3 H 2.678 . 2 174 18 18 GLY C C 170.866 . 1 175 18 18 GLY CA C 43.268 . 1 176 18 18 GLY N N 112.137 . 1 177 19 19 SER H H 7.083 . 1 178 19 19 SER HA H 5.536 . 1 179 19 19 SER HB2 H 3.691 . 2 180 19 19 SER HB3 H 3.450 . 2 181 19 19 SER C C 176.105 . 1 182 19 19 SER CA C 54.276 . 1 183 19 19 SER CB C 64.92 . 1 184 19 19 SER N N 109.129 . 1 185 20 20 ARG H H 9.693 . 1 186 20 20 ARG HA H 4.420 . 1 187 20 20 ARG HB2 H 1.812 . 2 188 20 20 ARG HB3 H 1.673 . 2 189 20 20 ARG HD2 H 2.803 . 2 190 20 20 ARG HD3 H 2.852 . 2 191 20 20 ARG HG2 H 2.068 . 2 192 20 20 ARG HG3 H 2.013 . 2 193 20 20 ARG C C 175.577 . 1 194 20 20 ARG CA C 55.520 . 1 195 20 20 ARG CB C 30.762 . 1 196 20 20 ARG CD C 43.390 . 1 197 20 20 ARG CG C 27.986 . 1 198 20 20 ARG N N 127.824 . 1 199 21 21 ALA H H 8.272 . 1 200 21 21 ALA HA H 4.544 . 1 201 21 21 ALA HB H 1.326 . 1 202 21 21 ALA C C 175.506 . 1 203 21 21 ALA CA C 50.351 . 1 204 21 21 ALA CB C 17.946 . 1 205 21 21 ALA N N 126.773 . 1 206 22 22 PRO HA H 4.343 . 1 207 22 22 PRO HB2 H 2.574 . 2 208 22 22 PRO HD2 H 3.795 . 2 209 22 22 PRO HG2 H 2.041 . 2 210 22 22 PRO HG3 H 1.812 . 2 211 22 22 PRO C C 176.733 . 1 212 22 22 PRO CA C 59.812 . 1 213 22 22 PRO CB C 36.598 . 1 214 23 23 THR H H 8.138 . 1 215 23 23 THR HA H 4.517 . 1 216 23 23 THR HB H 4.045 . 1 217 23 23 THR HG2 H 1.222 . 1 218 23 23 THR C C 174.204 . 1 219 23 23 THR CA C 62.288 . 1 220 23 23 THR CB C 70.348 . 1 221 23 23 THR CG2 C 23.420 . 1 222 23 23 THR N N 116.160 . 1 223 24 24 ILE H H 9.450 . 1 224 24 24 ILE HA H 3.948 . 1 225 24 24 ILE HB H 1.534 . 1 226 24 24 ILE HD1 H 0.563 . 1 227 24 24 ILE HG12 H 1.541 . 1 228 24 24 ILE HG13 H 0.841 . 1 229 24 24 ILE HG2 H 0.750 . 1 230 24 24 ILE C C 175.848 . 1 231 24 24 ILE CA C 61.303 . 1 232 24 24 ILE CB C 38.196 . 1 233 24 24 ILE CD1 C 13.925 . 1 234 24 24 ILE CG1 C 27.090 . 1 235 24 24 ILE CG2 C 17.328 . 1 236 24 24 ILE N N 130.662 . 1 237 25 25 GLY H H 8.499 . 1 238 25 25 GLY HA2 H 3.920 . 2 239 25 25 GLY HA3 H 3.920 . 2 240 25 25 GLY C C 173.008 . 1 241 25 25 GLY CA C 45.182 . 1 242 25 25 GLY N N 116.760 . 1 243 26 26 GLU H H 8.079 . 1 244 26 26 GLU HA H 4.073 . 1 245 26 26 GLU HB2 H 1.767 . 2 246 26 26 GLU HB3 H 1.520 . 2 247 26 26 GLU C C 175.175 . 1 248 26 26 GLU CA C 53.374 . 1 249 26 26 GLU CB C 29.55 . 1 250 26 26 GLU CG C 32.464 . 1 251 26 26 GLU N N 120.513 . 1 252 29 29 PRO HA H 5.072 . 1 253 29 29 PRO HB2 H 1.992 . 2 254 29 29 PRO HB3 H 1.916 . 2 255 29 29 PRO HD2 H 3.754 . 2 256 29 29 PRO HD3 H 3.629 . 2 257 29 29 PRO HG2 H 1.971 . 2 258 29 29 PRO HG3 H 1.409 . 2 259 29 29 PRO C C 175.934 . 1 260 29 29 PRO CA C 61.931 . 1 261 29 29 PRO CB C 33.220 . 1 262 29 29 PRO CD C 50.611 . 1 263 29 29 PRO CG C 25.921 . 1 264 30 30 ASP H H 8.602 . 1 265 30 30 ASP HA H 4.232 . 1 266 30 30 ASP HB2 H 2.896 . 2 267 30 30 ASP HB3 H 2.538 . 2 268 30 30 ASP C C 175.506 . 1 269 30 30 ASP CA C 55.481 . 1 270 30 30 ASP CB C 39.450 . 1 271 30 30 ASP N N 115.736 . 1 272 31 31 VAL H H 7.914 . 1 273 31 31 VAL HA H 4.948 . 1 274 31 31 VAL HB H 2.262 . 1 275 31 31 VAL HG1 H 0.791 . 2 276 31 31 VAL HG2 H 0.723 . 2 277 31 31 VAL C C 175.916 . 1 278 31 31 VAL CA C 58.437 . 1 279 31 31 VAL CB C 36.225 . 1 280 31 31 VAL CG1 C 22.254 . 1 281 31 31 VAL CG2 C 18.224 . 1 282 31 31 VAL N N 108.868 . 1 283 32 32 SER H H 8.681 . 1 284 32 32 SER HA H 4.565 . 1 285 32 32 SER HB2 H 4.288 . 2 286 32 32 SER HB3 H 3.872 . 2 287 32 32 SER C C 174.264 . 1 288 32 32 SER CA C 56.234 . 1 289 32 32 SER CB C 66.357 . 1 290 32 32 SER N N 116.817 . 1 291 33 33 LEU H H 8.468 . 1 292 33 33 LEU HA H 2.516 . 1 293 33 33 LEU HB2 H 1.485 . 2 294 33 33 LEU HB3 H 1.259 . 2 295 33 33 LEU HD1 H 0.957 . 2 296 33 33 LEU HD2 H 0.933 . 2 297 33 33 LEU HG H 1.333 . 1 298 33 33 LEU C C 177.990 . 1 299 33 33 LEU CA C 58.258 . 1 300 33 33 LEU CB C 41.330 . 1 301 33 33 LEU CD1 C 26.732 . 1 302 33 33 LEU CD2 C 24.224 . 1 303 33 33 LEU CG C 27.269 . 1 304 33 33 LEU N N 123.350 . 1 305 34 34 GLU H H 8.714 . 1 306 34 34 GLU HA H 3.563 . 1 307 34 34 GLU HB2 H 1.916 . 2 308 34 34 GLU HB3 H 1.791 . 2 309 34 34 GLU HG2 H 2.311 . 2 310 34 34 GLU HG3 H 2.117 . 2 311 34 34 GLU C C 179.123 . 1 312 34 34 GLU CA C 60.407 . 1 313 34 34 GLU CB C 28.881 . 1 314 34 34 GLU CG C 37.121 . 1 315 34 34 GLU N N 116.818 . 1 316 35 35 GLN H H 7.617 . 1 317 35 35 GLN HA H 4.299 . 1 318 35 35 GLN HB2 H 2.361 . 2 319 35 35 GLN HB3 H 1.701 . 2 320 35 35 GLN HE21 H 7.479 . 2 321 35 35 GLN HE22 H 6.842 . 2 322 35 35 GLN HG2 H 2.361 . 2 323 35 35 GLN HG3 H 2.267 . 2 324 35 35 GLN C C 178.918 . 1 325 35 35 GLN CA C 58.198 . 1 326 35 35 GLN CB C 28.836 . 1 327 35 35 GLN CG C 35.151 . 1 328 35 35 GLN N N 118.404 . 1 329 35 35 GLN NE2 N 111.583 . 1 330 36 36 CYS H H 8.109 . 1 331 36 36 CYS HA H 4.340 . 1 332 36 36 CYS HB2 H 2.704 . 2 333 36 36 CYS HB3 H 2.468 . 2 334 36 36 CYS C C 174.473 . 1 335 36 36 CYS CA C 55.660 . 1 336 36 36 CYS CB C 34.703 . 1 337 36 36 CYS N N 121.073 . 1 338 37 37 ALA H H 7.540 . 1 339 37 37 ALA HA H 3.198 . 1 340 37 37 ALA HB H 1.184 . 1 341 37 37 ALA C C 181.045 . 1 342 37 37 ALA CA C 54.419 . 1 343 37 37 ALA CB C 18.303 . 1 344 37 37 ALA N N 120.956 . 1 345 38 38 ALA H H 7.763 . 1 346 38 38 ALA HA H 3.844 . 1 347 38 38 ALA HB H 1.382 . 1 348 38 38 ALA C C 180.088 . 1 349 38 38 ALA CA C 54.847 . 1 350 38 38 ALA CB C 17.660 . 1 351 38 38 ALA N N 120.259 . 1 352 39 39 GLN H H 8.017 . 1 353 39 39 GLN HA H 3.962 . 1 354 39 39 GLN HB2 H 2.089 . 2 355 39 39 GLN HB3 H 2.179 . 2 356 39 39 GLN HE21 H 7.045 . 2 357 39 39 GLN HE22 H 6.628 . 2 358 39 39 GLN HG2 H 2.249 . 2 359 39 39 GLN HG3 H 2.256 . 2 360 39 39 GLN C C 177.847 . 1 361 39 39 GLN CA C 58.195 . 1 362 39 39 GLN CB C 26.549 . 1 363 39 39 GLN CG C 32.985 . 1 364 39 39 GLN N N 120.746 . 1 365 39 39 GLN NE2 N 110.202 . 1 366 40 40 CYS H H 7.746 . 1 367 40 40 CYS HA H 4.204 . 1 368 40 40 CYS HB2 H 3.217 . 2 369 40 40 CYS HB3 H 2.830 . 2 370 40 40 CYS C C 175.577 . 1 371 40 40 CYS CA C 59.178 . 1 372 40 40 CYS CB C 41.031 . 1 373 40 40 CYS N N 115.469 . 1 374 41 41 LYS H H 7.321 . 1 375 41 41 LYS HA H 3.714 . 1 376 41 41 LYS HB2 H 1.749 . 2 377 41 41 LYS HB3 H 1.826 . 2 378 41 41 LYS HD2 H 1.541 . 2 379 41 41 LYS HD3 H 1.569 . 2 380 41 41 LYS HE2 H 2.977 . 2 381 41 41 LYS HE3 H 2.977 . 2 382 41 41 LYS HG2 H 1.562 . 2 383 41 41 LYS HG3 H 1.337 . 2 384 41 41 LYS C C 176.748 . 1 385 41 41 LYS CA C 58.821 . 1 386 41 41 LYS CB C 32.628 . 1 387 41 41 LYS CD C 29.588 . 1 388 41 41 LYS CE C 42.104 . 1 389 41 41 LYS CG C 26.102 . 1 390 41 41 LYS N N 114.837 . 1 391 42 42 ALA H H 7.353 . 1 392 42 42 ALA HA H 4.277 . 1 393 42 42 ALA HB H 1.412 . 1 394 42 42 ALA C C 177.233 . 1 395 42 42 ALA CA C 52.563 . 1 396 42 42 ALA CB C 19.665 . 1 397 42 42 ALA N N 118.908 . 1 398 43 43 VAL H H 7.636 . 1 399 43 43 VAL HA H 4.130 . 1 400 43 43 VAL HB H 2.063 . 1 401 43 43 VAL HG1 H 1.021 . 2 402 43 43 VAL HG2 H 0.889 . 2 403 43 43 VAL C C 175.963 . 1 404 43 43 VAL CA C 62.198 . 1 405 43 43 VAL CB C 33.180 . 1 406 43 43 VAL CG1 C 21.717 . 1 407 43 43 VAL CG2 C 20.821 . 1 408 43 43 VAL N N 122.351 . 1 409 44 44 ASP H H 8.692 . 1 410 44 44 ASP HA H 4.350 . 1 411 44 44 ASP HB2 H 2.686 . 2 412 44 44 ASP HB3 H 2.568 . 2 413 44 44 ASP C C 177.062 . 1 414 44 44 ASP CA C 56.586 . 1 415 44 44 ASP CB C 40.316 . 1 416 44 44 ASP N N 130.162 . 1 417 45 45 GLY H H 8.541 . 1 418 45 45 GLY HA2 H 4.029 . 2 419 45 45 GLY HA3 H 3.839 . 2 420 45 45 GLY C C 174.150 . 1 421 45 45 GLY CA C 44.517 . 1 422 45 45 GLY N N 108.870 . 1 423 46 46 CYS H H 7.584 . 1 424 46 46 CYS HA H 4.716 . 1 425 46 46 CYS HB2 H 3.751 . 2 426 46 46 CYS HB3 H 3.166 . 2 427 46 46 CYS C C 176.305 . 1 428 46 46 CYS CA C 56.228 . 1 429 46 46 CYS CB C 44.517 . 1 430 46 46 CYS N N 117.496 . 1 431 47 47 THR H H 9.481 . 1 432 47 47 THR HA H 4.448 . 1 433 47 47 THR HB H 4.664 . 1 434 47 47 THR HG2 H 1.412 . 1 435 47 47 THR C C 173.864 . 1 436 47 47 THR CA C 62.486 . 1 437 47 47 THR CB C 70.711 . 1 438 47 47 THR CG2 C 22.883 . 1 439 47 47 THR N N 122.107 . 1 440 48 48 HIS H H 8.363 . 1 441 48 48 HIS HA H 4.926 . 1 442 48 48 HIS HB2 H 3.297 . 2 443 48 48 HIS HB3 H 2.889 . 2 444 48 48 HIS HD2 H 6.099 . 1 445 48 48 HIS C C 169.97 . 1 446 48 48 HIS CA C 55.513 . 1 447 48 48 HIS CB C 29.141 . 1 448 48 48 HIS CD2 C 126.221 . 1 449 48 48 HIS N N 116.522 . 1 450 49 49 PHE H H 8.725 . 1 451 49 49 PHE HA H 5.342 . 1 452 49 49 PHE HB2 H 3.053 . 2 453 49 49 PHE HB3 H 2.588 . 2 454 49 49 PHE HD1 H 6.876 . 3 455 49 49 PHE HD2 H 6.876 . 3 456 49 49 PHE HE1 H 7.150 . 3 457 49 49 PHE HE2 H 7.150 . 3 458 49 49 PHE C C 173.650 . 1 459 49 49 PHE CA C 55.334 . 1 460 49 49 PHE CB C 43.301 . 1 461 49 49 PHE CD1 C 132.782 . 3 462 49 49 PHE CD2 C 132.782 . 3 463 49 49 PHE CE1 C 130.595 . 3 464 49 49 PHE CE2 C 130.595 . 3 465 49 49 PHE N N 112.835 . 1 466 50 50 THR H H 9.111 . 1 467 50 50 THR HA H 4.687 . 1 468 50 50 THR HB H 3.573 . 1 469 50 50 THR HG2 H 1.097 . 1 470 50 50 THR C C 172.279 . 1 471 50 50 THR CA C 63.827 . 1 472 50 50 THR CB C 72.588 . 1 473 50 50 THR CG2 C 23.241 . 1 474 50 50 THR N N 114.798 . 1 475 51 51 TYR H H 8.999 . 1 476 51 51 TYR HA H 5.439 . 1 477 51 51 TYR HB2 H 3.157 . 2 478 51 51 TYR HB3 H 2.956 . 2 479 51 51 TYR HD1 H 6.449 . 3 480 51 51 TYR HE1 H 6.586 . 3 481 51 51 TYR C C 173.065 . 1 482 51 51 TYR CA C 55.960 . 1 483 51 51 TYR CB C 41.388 . 1 484 51 51 TYR CD1 C 131.688 . 3 485 51 51 TYR N N 130.692 . 1 486 52 52 ASN H H 8.033 . 1 487 52 52 ASN HA H 4.884 . 1 488 52 52 ASN HB2 H 2.969 . 2 489 52 52 ASN HB3 H 2.355 . 2 490 52 52 ASN HD21 H 7.248 . 2 491 52 52 ASN HD22 H 6.616 . 2 492 52 52 ASN C C 174.321 . 1 493 52 52 ASN CA C 52.295 . 1 494 52 52 ASN CB C 40.226 . 1 495 52 52 ASN N N 126.962 . 1 496 52 52 ASN ND2 N 109.360 . 1 497 53 53 ASP H H 9.003 . 1 498 53 53 ASP HA H 4.350 . 1 499 53 53 ASP HB2 H 2.662 . 2 500 53 53 ASP HB3 H 2.602 . 2 501 53 53 ASP C C 176.591 . 1 502 53 53 ASP CA C 56.586 . 1 503 53 53 ASP CB C 42.998 . 1 504 53 53 ASP N N 124.861 . 1 505 54 54 ASP H H 8.541 . 1 506 54 54 ASP HA H 4.489 . 1 507 54 54 ASP HB2 H 2.699 . 2 508 54 54 ASP HB3 H 2.699 . 2 509 54 54 ASP C C 177.361 . 1 510 54 54 ASP CA C 55.871 . 1 511 54 54 ASP CB C 40.137 . 1 512 54 54 ASP N N 115.953 . 1 513 55 55 SER H H 7.567 . 1 514 55 55 SER HA H 4.350 . 1 515 55 55 SER HB2 H 3.920 . 2 516 55 55 SER HB3 H 3.899 . 2 517 55 55 SER C C 174.992 . 1 518 55 55 SER CA C 57.183 . 1 519 55 55 SER CB C 64.542 . 1 520 55 55 SER N N 112.010 . 1 521 56 56 LYS H H 8.066 . 1 522 56 56 LYS HA H 3.767 . 1 523 56 56 LYS HB2 H 2.392 . 2 524 56 56 LYS HB3 H 1.409 . 2 525 56 56 LYS HD2 H 1.687 . 2 526 56 56 LYS HD3 H 1.617 . 2 527 56 56 LYS HE2 H 2.949 . 2 528 56 56 LYS HE3 H 2.956 . 2 529 56 56 LYS HG2 H 1.291 . 2 530 56 56 LYS HG3 H 1.633 . 2 531 56 56 LYS C C 173.236 . 1 532 56 56 LYS CA C 57.301 . 1 533 56 56 LYS CB C 28.434 . 1 534 56 56 LYS CD C 28.784 . 1 535 56 56 LYS CE C 42.461 . 1 536 56 56 LYS CG C 24.851 . 1 537 56 56 LYS N N 119.194 . 1 538 57 57 MET H H 6.821 . 1 539 57 57 MET HA H 4.908 . 1 540 57 57 MET HB2 H 1.916 . 2 541 57 57 MET HB3 H 1.588 . 2 542 57 57 MET HG2 H 2.283 . 2 543 57 57 MET HG3 H 2.283 . 2 544 57 57 MET C C 174.992 . 1 545 57 57 MET CA C 53.869 . 1 546 57 57 MET CB C 35.151 . 1 547 57 57 MET CG C 32.285 . 1 548 57 57 MET N N 113.241 . 1 549 58 58 CYS H H 8.914 . 1 550 58 58 CYS HA H 5.2 . 1 551 58 58 CYS HB2 H 3.116 . 2 552 58 58 CYS HB3 H 2.693 . 2 553 58 58 CYS C C 172.808 . 1 554 58 58 CYS CA C 53.904 . 1 555 58 58 CYS CB C 39.690 . 1 556 58 58 CYS N N 122.395 . 1 557 59 59 HIS H H 9.127 . 1 558 59 59 HIS HA H 4.774 . 1 559 59 59 HIS HB2 H 3.415 . 2 560 59 59 HIS HB3 H 2.925 . 2 561 59 59 HIS HD2 H 6.937 . 1 562 59 59 HIS C C 174.492 . 1 563 59 59 HIS CA C 54.854 . 1 564 59 59 HIS CB C 31.927 . 1 565 59 59 HIS CD2 C 119.66 . 1 566 59 59 HIS N N 129.785 . 1 567 60 60 VAL H H 8.770 . 1 568 60 60 VAL HA H 4.245 . 1 569 60 60 VAL HB H 2.609 . 1 570 60 60 VAL HG1 H 0.953 . 2 571 60 60 VAL HG2 H 1.028 . 2 572 60 60 VAL C C 175.177 . 1 573 60 60 VAL CA C 62.575 . 1 574 60 60 VAL CB C 31.465 . 1 575 60 60 VAL CG1 C 22.436 . 1 576 60 60 VAL CG2 C 20.291 . 1 577 60 60 VAL N N 124.790 . 1 578 61 61 LYS H H 8.574 . 1 579 61 61 LYS HA H 5.113 . 1 580 61 61 LYS HB2 H 1.188 . 2 581 61 61 LYS HB3 H 0.140 . 2 582 61 61 LYS HD2 H 1.178 . 2 583 61 61 LYS HD3 H 1.237 . 2 584 61 61 LYS HE2 H 2.603 . 2 585 61 61 LYS HE3 H 3.546 . 2 586 61 61 LYS HG2 H 0.882 . 2 587 61 61 LYS HG3 H 1.090 . 2 588 61 61 LYS C C 174.164 . 1 589 61 61 LYS CA C 55.960 . 1 590 61 61 LYS CB C 35.688 . 1 591 61 61 LYS CD C 29.598 . 1 592 61 61 LYS CE C 42.908 . 1 593 61 61 LYS CG C 25.209 . 1 594 61 61 LYS N N 124.443 . 1 595 62 62 GLU H H 7.708 . 1 596 62 62 GLU HA H 5.235 . 1 597 62 62 GLU HB2 H 2.209 . 2 598 62 62 GLU HB3 H 1.887 . 2 599 62 62 GLU HG2 H 2.172 . 2 600 62 62 GLU HG3 H 1.888 . 2 601 62 62 GLU C C 175.006 . 1 602 62 62 GLU CA C 52.563 . 1 603 62 62 GLU CB C 32.553 . 1 604 62 62 GLU CG C 35.220 . 1 605 62 62 GLU N N 115.892 . 1 606 63 63 GLY H H 7.983 . 1 607 63 63 GLY HA2 H 4.285 . 2 608 63 63 GLY HA3 H 4.285 . 2 609 63 63 GLY C C 174.464 . 1 610 63 63 GLY CA C 45.092 . 1 611 63 63 GLY N N 99.96 . 1 612 64 64 LYS H H 8.077 . 1 613 64 64 LYS CA C 54.323 . 1 614 64 64 LYS CB C 32.609 . 1 615 64 64 LYS N N 121.528 . 1 616 65 65 PRO HA H 3.546 . 1 617 65 65 PRO HB2 H 1.340 . 2 618 65 65 PRO HB3 H 1.208 . 2 619 65 65 PRO HD2 H 2.949 . 2 620 65 65 PRO HD3 H 3.261 . 2 621 65 65 PRO HG2 H 1.742 . 2 622 65 65 PRO HG3 H 0.542 . 2 623 65 65 PRO C C 174.692 . 1 624 65 65 PRO CA C 63.201 . 1 625 65 65 PRO CB C 30.929 . 1 626 65 65 PRO CD C 49.345 . 1 627 65 65 PRO CG C 27.353 . 1 628 66 66 ASP H H 7.388 . 1 629 66 66 ASP HA H 4.906 . 1 630 66 66 ASP HB2 H 2.538 . 2 631 66 66 ASP HB3 H 2.362 . 2 632 66 66 ASP C C 176.334 . 1 633 66 66 ASP CA C 52.652 . 1 634 66 66 ASP CB C 41.120 . 1 635 66 66 ASP N N 124.058 . 1 636 67 67 LEU H H 8.642 . 1 637 67 67 LEU HA H 5.169 . 1 638 67 67 LEU HB2 H 1.902 . 2 639 67 67 LEU HB3 H 1.017 . 2 640 67 67 LEU HD1 H 0.827 . 2 641 67 67 LEU HD2 H 0.327 . 2 642 67 67 LEU HG H 1.548 . 1 643 67 67 LEU C C 177.576 . 1 644 67 67 LEU CA C 55.481 . 1 645 67 67 LEU CB C 43.211 . 1 646 67 67 LEU CD1 C 25.209 . 1 647 67 67 LEU CD2 C 21.985 . 1 648 67 67 LEU CG C 27.180 . 1 649 67 67 LEU N N 122.234 . 1 650 68 68 TYR H H 8.352 . 1 651 68 68 TYR HA H 4.862 . 1 652 68 68 TYR HB2 H 2.984 . 2 653 68 68 TYR HB3 H 2.845 . 2 654 68 68 TYR HD1 H 6.419 . 3 655 68 68 TYR HE1 H 6.586 . 3 656 68 68 TYR C C 173.136 . 1 657 68 68 TYR CA C 55.033 . 1 658 68 68 TYR CB C 40.706 . 1 659 68 68 TYR CD1 C 131.688 . 3 660 68 68 TYR N N 118.443 . 1 661 69 69 ASP H H 8.564 . 1 662 69 69 ASP HA H 4.665 . 1 663 69 69 ASP HB2 H 2.691 . 2 664 69 69 ASP HB3 H 2.596 . 2 665 69 69 ASP C C 173.864 . 1 666 69 69 ASP CA C 55.699 . 1 667 69 69 ASP CB C 40.527 . 1 668 69 69 ASP N N 122.162 . 1 669 70 70 LEU H H 7.826 . 1 670 70 70 LEU HA H 4.371 . 1 671 70 70 LEU HB2 H 1.035 . 2 672 70 70 LEU HB3 H 0.660 . 2 673 70 70 LEU HD1 H 0.892 . 2 674 70 70 LEU HD2 H 0.654 . 2 675 70 70 LEU HG H 0.535 . 1 676 70 70 LEU C C 175.077 . 1 677 70 70 LEU CA C 53.646 . 1 678 70 70 LEU CB C 45.450 . 1 679 70 70 LEU CD1 C 22.702 . 1 680 70 70 LEU CD2 C 22.702 . 1 681 70 70 LEU CG C 26.195 . 1 682 70 70 LEU N N 126.245 . 1 683 71 71 THR H H 8.932 . 1 684 71 71 THR HA H 3.741 . 1 685 71 71 THR HB H 3.948 . 1 686 71 71 THR HG2 H 1.186 . 1 687 71 71 THR C C 175.220 . 1 688 71 71 THR CA C 65.512 . 1 689 71 71 THR CB C 68.468 . 1 690 71 71 THR CG2 C 21.717 . 1 691 71 71 THR N N 128.021 . 1 692 72 72 GLY H H 8.809 . 1 693 72 72 GLY HA2 H 4.191 . 2 694 72 72 GLY HA3 H 3.761 . 2 695 72 72 GLY C C 174.435 . 1 696 72 72 GLY CA C 45.182 . 1 697 72 72 GLY N N 116.840 . 1 698 73 73 GLY H H 8.406 . 1 699 73 73 GLY HA2 H 3.846 . 2 700 73 73 GLY HA3 H 2.962 . 2 701 73 73 GLY C C 174.164 . 1 702 73 73 GLY CA C 47.199 . 1 703 73 73 GLY N N 107.089 . 1 704 74 74 LYS H H 9.370 . 1 705 74 74 LYS HA H 4.933 . 1 706 74 74 LYS HB2 H 2.355 . 2 707 74 74 LYS HB3 H 1.770 . 2 708 74 74 LYS HD2 H 1.628 . 2 709 74 74 LYS HD3 H 1.675 . 2 710 74 74 LYS HE2 H 3.240 . 2 711 74 74 LYS HE3 H 3.025 . 2 712 74 74 LYS HG2 H 1.421 . 2 713 74 74 LYS HG3 H 0.813 . 2 714 74 74 LYS C C 175.192 . 1 715 74 74 LYS CA C 55.513 . 1 716 74 74 LYS CB C 33.031 . 1 717 74 74 LYS CD C 29.231 . 1 718 74 74 LYS CE C 42.640 . 1 719 74 74 LYS CG C 25.208 . 1 720 74 74 LYS N N 130.147 . 1 721 75 75 THR H H 6.472 . 1 722 75 75 THR HA H 5.550 . 1 723 75 75 THR HB H 3.123 . 1 724 75 75 THR HG2 H 0.938 . 1 725 75 75 THR C C 172.679 . 1 726 75 75 THR CA C 61.661 . 1 727 75 75 THR CB C 71.852 . 1 728 75 75 THR CG2 C 20.463 . 1 729 75 75 THR N N 120.395 . 1 730 76 76 ALA H H 8.020 . 1 731 76 76 ALA HA H 4.752 . 1 732 76 76 ALA HB H 1.003 . 1 733 76 76 ALA C C 174.235 . 1 734 76 76 ALA CA C 50.255 . 1 735 76 76 ALA CB C 25.266 . 1 736 76 76 ALA N N 128.221 . 1 737 77 77 SER H H 8.165 . 1 738 77 77 SER HA H 4.138 . 1 739 77 77 SER HB2 H 3.590 . 2 740 77 77 SER HB3 H 3.554 . 2 741 77 77 SER C C 171.252 . 1 742 77 77 SER CA C 56.948 . 1 743 77 77 SER CB C 63.721 . 1 744 77 77 SER N N 111.953 . 1 745 78 78 ARG H H 7.248 . 1 746 78 78 ARG HA H 3.729 . 1 747 78 78 ARG HB2 H 1.353 . 2 748 78 78 ARG HB3 H 0.376 . 2 749 78 78 ARG HD2 H 3.150 . 2 750 78 78 ARG HD3 H 2.949 . 2 751 78 78 ARG HG2 H 2.158 . 2 752 78 78 ARG HG3 H 1.194 . 2 753 78 78 ARG C C 175.634 . 1 754 78 78 ARG CA C 58.287 . 1 755 78 78 ARG CB C 30.852 . 1 756 78 78 ARG CD C 42.943 . 1 757 78 78 ARG CG C 27.359 . 1 758 78 78 ARG N N 124.405 . 1 759 79 79 SER H H 7.019 . 1 760 79 79 SER HA H 4.555 . 1 761 79 79 SER HB2 H 3.934 . 2 762 79 79 SER HB3 H 3.671 . 2 763 79 79 SER C C 174.378 . 1 764 79 79 SER CA C 56.108 . 1 765 79 79 SER CB C 65.516 . 1 766 79 79 SER N N 105.792 . 1 767 80 80 CYS H H 8.847 . 1 768 80 80 CYS HA H 4.995 . 1 769 80 80 CYS HB2 H 3.400 . 2 770 80 80 CYS HB3 H 2.713 . 2 771 80 80 CYS C C 174.464 . 1 772 80 80 CYS CA C 50.734 . 1 773 80 80 CYS CB C 34.792 . 1 774 80 80 CYS N N 121.285 . 1 775 81 81 ASP H H 8.198 . 1 776 81 81 ASP HA H 4.537 . 1 777 81 81 ASP HB2 H 2.637 . 2 778 81 81 ASP HB3 H 2.609 . 2 779 81 81 ASP C C 175.920 . 1 780 81 81 ASP CA C 54.896 . 1 781 81 81 ASP CB C 40.704 . 1 782 81 81 ASP N N 121.061 . 1 783 82 82 ARG H H 8.448 . 1 784 82 82 ARG HA H 3.622 . 1 785 82 82 ARG HB2 H 1.229 . 2 786 82 82 ARG HB3 H 1.153 . 2 787 82 82 ARG HD2 H 3.060 . 2 788 82 82 ARG HD3 H 2.966 . 2 789 82 82 ARG HG2 H 1.326 . 2 790 82 82 ARG HG3 H 0.827 . 2 791 82 82 ARG C C 179.174 . 1 792 82 82 ARG CA C 54.765 . 1 793 82 82 ARG CB C 29.767 . 1 794 82 82 ARG CD C 43.659 . 1 795 82 82 ARG CG C 26.284 . 1 796 82 82 ARG N N 127.118 . 1 797 83 83 SER H H 8.911 . 1 798 83 83 SER HA H 4.328 . 1 799 83 83 SER HB2 H 4.003 . 2 800 83 83 SER HB3 H 3.847 . 2 801 83 83 SER C C 174.501 . 1 802 83 83 SER CA C 61.200 . 1 803 83 83 SER CB C 62.770 . 1 804 83 83 SER N N 119.289 . 1 805 84 84 CYS H H 8.549 . 1 806 84 84 CYS HA H 5.342 . 1 807 84 84 CYS HB2 H 3.476 . 2 808 84 84 CYS HB3 H 3.095 . 2 809 84 84 CYS C C 173.579 . 1 810 84 84 CYS CA C 58.284 . 1 811 84 84 CYS CB C 34.012 . 1 812 84 84 CYS N N 115.627 . 1 813 85 85 PHE H H 7.950 . 1 814 85 85 PHE HA H 5.134 . 1 815 85 85 PHE HB2 H 3.393 . 2 816 85 85 PHE HB3 H 3.164 . 2 817 85 85 PHE HD1 H 7.369 . 3 818 85 85 PHE HD2 H 7.369 . 3 819 85 85 PHE C C 175.820 . 1 820 85 85 PHE CA C 55.123 . 1 821 85 85 PHE CB C 35.957 . 1 822 85 85 PHE CD1 C 131.688 . 3 823 85 85 PHE CD2 C 131.688 . 3 824 85 85 PHE N N 125.020 . 1 825 86 86 GLU H H 9.548 . 1 826 86 86 GLU HA H 4.657 . 1 827 86 86 GLU HB2 H 1.894 . 2 828 86 86 GLU HB3 H 1.778 . 2 829 86 86 GLU HG2 H 2.242 . 2 830 86 86 GLU HG3 H 2.242 . 2 831 86 86 GLU C C 175.706 . 1 832 86 86 GLU CA C 55.163 . 1 833 86 86 GLU CB C 31.018 . 1 834 86 86 GLU CG C 36.382 . 1 835 86 86 GLU N N 122.782 . 1 836 87 87 GLN H H 8.730 . 1 837 87 87 GLN HA H 4.409 . 1 838 87 87 GLN HB2 H 1.798 . 2 839 87 87 GLN HB3 H 1.555 . 2 840 87 87 GLN HE21 H 7.352 . 2 841 87 87 GLN HE22 H 6.859 . 2 842 87 87 GLN HG2 H 2.131 . 2 843 87 87 GLN HG3 H 1.992 . 2 844 87 87 GLN C C 176.134 . 1 845 87 87 GLN CA C 56.735 . 1 846 87 87 GLN CB C 29.150 . 1 847 87 87 GLN CG C 33.807 . 1 848 87 87 GLN N N 125.774 . 1 849 87 87 GLN NE2 N 111.852 . 1 850 88 88 HIS H H 8.945 . 1 851 88 88 HIS HA H 5.118 . 1 852 88 88 HIS HB2 H 3.598 . 2 853 88 88 HIS HB3 H 3.027 . 2 854 88 88 HIS C C 174.092 . 1 855 88 88 HIS CA C 55.871 . 1 856 88 88 HIS CB C 27.353 . 1 857 88 88 HIS N N 117.118 . 1 858 89 89 VAL H H 7.008 . 1 859 89 89 VAL HA H 4.759 . 1 860 89 89 VAL HB H 1.708 . 1 861 89 89 VAL HG1 H 0.868 . 2 862 89 89 VAL HG2 H 0.570 . 2 863 89 89 VAL C C 174.492 . 1 864 89 89 VAL CA C 60.964 . 1 865 89 89 VAL CB C 34.416 . 1 866 89 89 VAL CG1 C 22.612 . 1 867 89 89 VAL CG2 C 21.896 . 1 868 89 89 VAL N N 117.385 . 1 869 90 90 SER H H 8.643 . 1 870 90 90 SER HA H 4.394 . 1 871 90 90 SER HB2 H 3.831 . 2 872 90 90 SER HB3 H 3.641 . 2 873 90 90 SER C C 172.279 . 1 874 90 90 SER CA C 54.985 . 1 875 90 90 SER CB C 66.049 . 1 876 90 90 SER N N 120.373 . 1 877 91 91 TYR H H 7.861 . 1 878 91 91 TYR HA H 4.968 . 1 879 91 91 TYR HB2 H 3.206 . 2 880 91 91 TYR HB3 H 2.269 . 2 881 91 91 TYR C C 177.262 . 1 882 91 91 TYR CA C 57.038 . 1 883 91 91 TYR CB C 38.385 . 1 884 91 91 TYR N N 123.864 . 1 885 92 92 GLU H H 8.105 . 1 886 92 92 GLU HA H 3.824 . 1 887 92 92 GLU HB2 H 2.051 . 2 888 92 92 GLU HB3 H 1.902 . 2 889 92 92 GLU HG2 H 2.367 . 2 890 92 92 GLU HG3 H 2.247 . 2 891 92 92 GLU C C 176.534 . 1 892 92 92 GLU CA C 58.910 . 1 893 92 92 GLU CB C 30.175 . 1 894 92 92 GLU CG C 36.025 . 1 895 92 92 GLU N N 119.098 . 1 896 93 93 GLY H H 9.235 . 1 897 93 93 GLY HA2 H 3.790 . 2 898 93 93 GLY HA3 H 3.622 . 2 899 93 93 GLY C C 173.864 . 1 900 93 93 GLY CA C 45.322 . 1 901 93 93 GLY N N 105.168 . 1 902 94 94 ALA H H 7.623 . 1 903 94 94 ALA HA H 2.755 . 1 904 94 94 ALA HB H 1.236 . 1 905 94 94 ALA C C 174.635 . 1 906 94 94 ALA CA C 49.481 . 1 907 94 94 ALA CB C 16.880 . 1 908 94 94 ALA N N 123.290 . 1 909 95 95 PRO HA H 4.288 . 1 910 95 95 PRO HB2 H 2.221 . 2 911 95 95 PRO HB3 H 1.736 . 2 912 95 95 PRO HD2 H 3.268 . 2 913 95 95 PRO HD3 H 3.268 . 2 914 95 95 PRO HG2 H 2.028 . 2 915 95 95 PRO HG3 H 1.920 . 2 916 95 95 PRO C C 177.076 . 1 917 95 95 PRO CA C 62.467 . 1 918 95 95 PRO CB C 31.568 . 1 919 95 95 PRO CD C 49.749 . 1 920 95 95 PRO CG C 27.269 . 1 921 96 96 ASP H H 8.513 . 1 922 96 96 ASP HA H 5.120 . 1 923 96 96 ASP HB2 H 2.734 . 2 924 96 96 ASP HB3 H 2.519 . 2 925 96 96 ASP C C 179.146 . 1 926 96 96 ASP CA C 54.896 . 1 927 96 96 ASP CB C 41.868 . 1 928 96 96 ASP N N 122.643 . 1 929 97 97 VAL H H 8.566 . 1 930 97 97 VAL HA H 4.503 . 1 931 97 97 VAL HB H 2.228 . 1 932 97 97 VAL HG1 H 0.875 . 2 933 97 97 VAL HG2 H 0.501 . 2 934 97 97 VAL C C 174.892 . 1 935 97 97 VAL CA C 60.676 . 1 936 97 97 VAL CB C 32.643 . 1 937 97 97 VAL CG1 C 21.000 . 1 938 97 97 VAL CG2 C 17.597 . 1 939 97 97 VAL N N 112.876 . 1 940 98 98 MET H H 7.503 . 1 941 98 98 MET HA H 4.562 . 1 942 98 98 MET HB2 H 1.980 . 2 943 98 98 MET HB3 H 1.843 . 2 944 98 98 MET HG2 H 1.989 . 2 945 98 98 MET HG3 H 1.840 . 2 946 98 98 MET C C 174.178 . 1 947 98 98 MET CA C 54.360 . 1 948 98 98 MET CB C 35.599 . 1 949 98 98 MET CG C 29.956 . 1 950 98 98 MET N N 116.117 . 1 951 99 99 THR H H 8.198 . 1 952 99 99 THR HA H 4.101 . 1 953 99 99 THR HB H 4.031 . 1 954 99 99 THR HG2 H 1.427 . 1 955 99 99 THR C C 173.279 . 1 956 99 99 THR CA C 63.642 . 1 957 99 99 THR CB C 69.542 . 1 958 99 99 THR CG2 C 22.075 . 1 959 99 99 THR N N 116.686 . 1 960 100 100 ALA H H 8.352 . 1 961 100 100 ALA HA H 4.648 . 1 962 100 100 ALA HB H 1.423 . 1 963 100 100 ALA C C 177.676 . 1 964 100 100 ALA CA C 53.099 . 1 965 100 100 ALA CB C 19.836 . 1 966 100 100 ALA N N 126.741 . 1 967 101 101 MET H H 8.163 . 1 968 101 101 MET HA H 4.935 . 1 969 101 101 MET HB2 H 2.165 . 2 970 101 101 MET HB3 H 2.004 . 2 971 101 101 MET HG2 H 2.595 . 2 972 101 101 MET HG3 H 2.256 . 2 973 101 101 MET C C 173.935 . 1 974 101 101 MET CA C 54.449 . 1 975 101 101 MET CB C 38.465 . 1 976 101 101 MET CG C 32.106 . 1 977 101 101 MET N N 119.237 . 1 978 102 102 VAL H H 8.657 . 1 979 102 102 VAL HA H 5.206 . 1 980 102 102 VAL HB H 1.968 . 1 981 102 102 VAL HG1 H 1.004 . 2 982 102 102 VAL HG2 H 0.942 . 2 983 102 102 VAL C C 176.448 . 1 984 102 102 VAL CA C 61.411 . 1 985 102 102 VAL CB C 32.285 . 1 986 102 102 VAL CG1 C 20.683 . 1 987 102 102 VAL CG2 C 20.731 . 1 988 102 102 VAL N N 127.562 . 1 989 103 103 THR H H 9.050 . 1 990 103 103 THR HA H 4.738 . 1 991 103 103 THR HB H 4.518 . 1 992 103 103 THR HG2 H 1.083 . 1 993 103 103 THR C C 171.680 . 1 994 103 103 THR CA C 59.447 . 1 995 103 103 THR CB C 66.855 . 1 996 103 103 THR CG2 C 21.627 . 1 997 103 103 THR N N 121.645 . 1 998 104 104 SER H H 8.815 . 1 999 104 104 SER HA H 4.467 . 1 1000 104 104 SER HB2 H 4.285 . 2 1001 104 104 SER HB3 H 3.845 . 2 1002 104 104 SER C C 174.012 . 1 1003 104 104 SER CA C 58.376 . 1 1004 104 104 SER CB C 63.810 . 1 1005 104 104 SER N N 122.438 . 1 1006 105 105 GLN H H 8.469 . 1 1007 105 105 GLN HA H 4.500 . 1 1008 105 105 GLN HB2 H 2.209 . 2 1009 105 105 GLN HB3 H 1.807 . 2 1010 105 105 GLN C C 174.533 . 1 1011 105 105 GLN CA C 52.973 . 1 1012 105 105 GLN CB C 28.568 . 1 1013 105 105 GLN CG C 35.151 . 1 1014 105 105 GLN N N 122.480 . 1 1015 106 106 SER H H 8.285 . 1 1016 106 106 SER HA H 3.035 . 1 1017 106 106 SER HB2 H 3.177 . 2 1018 106 106 SER HB3 H 2.954 . 2 1019 106 106 SER C C 176.391 . 1 1020 106 106 SER CA C 59.893 . 1 1021 106 106 SER CB C 61.840 . 1 1022 106 106 SER N N 122.423 . 1 1023 107 107 ALA H H 8.682 . 1 1024 107 107 ALA HA H 4.045 . 1 1025 107 107 ALA HB H 1.653 . 1 1026 107 107 ALA C C 179.831 . 1 1027 107 107 ALA CA C 55.074 . 1 1028 107 107 ALA CB C 18.216 . 1 1029 107 107 ALA N N 124.223 . 1 1030 108 108 ASP H H 7.737 . 1 1031 108 108 ASP HA H 4.021 . 1 1032 108 108 ASP HB2 H 2.969 . 2 1033 108 108 ASP HB3 H 2.355 . 2 1034 108 108 ASP C C 178.989 . 1 1035 108 108 ASP CA C 56.681 . 1 1036 108 108 ASP CB C 39.718 . 1 1037 108 108 ASP N N 116.826 . 1 1038 109 109 CYS H H 7.437 . 1 1039 109 109 CYS HA H 4.124 . 1 1040 109 109 CYS HB2 H 2.373 . 2 1041 109 109 CYS HB3 H 1.749 . 2 1042 109 109 CYS C C 176.762 . 1 1043 109 109 CYS CA C 54.182 . 1 1044 109 109 CYS CB C 35.599 . 1 1045 109 109 CYS N N 113.145 . 1 1046 110 110 GLN H H 6.544 . 1 1047 110 110 GLN HA H 3.233 . 1 1048 110 110 GLN HB2 H 2.545 . 2 1049 110 110 GLN HB3 H 1.354 . 2 1050 110 110 GLN HG2 H 2.338 . 2 1051 110 110 GLN HG3 H 2.333 . 2 1052 110 110 GLN C C 176.334 . 1 1053 110 110 GLN CA C 59.447 . 1 1054 110 110 GLN CB C 27.986 . 1 1055 110 110 GLN CG C 31.60248 . 1 1056 110 110 GLN N N 119.961 . 1 1057 111 111 ALA H H 7.624 . 1 1058 111 111 ALA HA H 4.146 . 1 1059 111 111 ALA HB H 1.668 . 1 1060 111 111 ALA C C 178.275 . 1 1061 111 111 ALA CA C 55.788 . 1 1062 111 111 ALA CB C 17.955 . 1 1063 111 111 ALA N N 120.725 . 1 1064 112 112 ALA H H 7.756 . 1 1065 112 112 ALA HA H 3.722 . 1 1066 112 112 ALA HB H 1.193 . 1 1067 112 112 ALA C C 177.818 . 1 1068 112 112 ALA CA C 54.717 . 1 1069 112 112 ALA CB C 18.582 . 1 1070 112 112 ALA N N 114.453 . 1 1071 113 113 CYS H H 7.882 . 1 1072 113 113 CYS HA H 4.036 . 1 1073 113 113 CYS HB2 H 3.254 . 2 1074 113 113 CYS HB3 H 2.896 . 2 1075 113 113 CYS C C 176.733 . 1 1076 113 113 CYS CA C 57.127 . 1 1077 113 113 CYS CB C 41.599 . 1 1078 113 113 CYS N N 115.835 . 1 1079 114 114 ALA H H 8.943 . 1 1080 114 114 ALA HA H 3.707 . 1 1081 114 114 ALA HB H 1.383 . 1 1082 114 114 ALA C C 178.918 . 1 1083 114 114 ALA CA C 54.896 . 1 1084 114 114 ALA CB C 17.955 . 1 1085 114 114 ALA N N 121.293 . 1 1086 115 115 ALA H H 7.146 . 1 1087 115 115 ALA HA H 4.270 . 1 1088 115 115 ALA HB H 1.376 . 1 1089 115 115 ALA C C 176.805 . 1 1090 115 115 ALA CA C 52.308 . 1 1091 115 115 ALA CB C 19.567 . 1 1092 115 115 ALA N N 116.618 . 1 1093 116 116 ASP H H 7.285 . 1 1094 116 116 ASP HA H 5.160 . 1 1095 116 116 ASP HB2 H 2.735 . 2 1096 116 116 ASP HB3 H 2.159 . 2 1097 116 116 ASP C C 175.106 . 1 1098 116 116 ASP CA C 50.993 . 1 1099 116 116 ASP CB C 46.568 . 1 1100 116 116 ASP N N 120.522 . 1 1101 117 117 PRO HA H 4.350 . 1 1102 117 117 PRO HB2 H 2.304 . 2 1103 117 117 PRO HB3 H 1.853 . 2 1104 117 117 PRO HD2 H 3.768 . 2 1105 117 117 PRO HD3 H 3.629 . 2 1106 117 117 PRO HG2 H 2.012 . 2 1107 117 117 PRO HG3 H 1.932 . 2 1108 117 117 PRO C C 177.561 . 1 1109 117 117 PRO CA C 63.106 . 1 1110 117 117 PRO CB C 31.692 . 1 1111 117 117 PRO CD C 50.376 . 1 1112 117 117 PRO CG C 27.538 . 1 1113 118 118 SER H H 8.375 . 1 1114 118 118 SER HA H 4.420 . 1 1115 118 118 SER HB2 H 3.788 . 2 1116 118 118 SER HB3 H 3.726 . 2 1117 118 118 SER C C 174.1 . 1 1118 118 118 SER CA C 59.536 . 1 1119 118 118 SER CB C 63.909 . 1 1120 118 118 SER N N 116.137 . 1 1121 119 119 CYS H H 7.872 . 1 1122 119 119 CYS HA H 4.036 . 1 1123 119 119 CYS HB2 H 3.943 . 2 1124 119 119 CYS HB3 H 3.159 . 2 1125 119 119 CYS C C 173.093 . 1 1126 119 119 CYS CA C 58.108 . 1 1127 119 119 CYS CB C 44.017 . 1 1128 119 119 CYS N N 121.409 . 1 1129 120 120 GLU H H 9.325 . 1 1130 120 120 GLU HA H 4.592 . 1 1131 120 120 GLU HB2 H 2.150 . 2 1132 120 120 GLU HB3 H 1.463 . 2 1133 120 120 GLU HG2 H 2.290 . 2 1134 120 120 GLU HG3 H 2.080 . 2 1135 120 120 GLU C C 175.677 . 1 1136 120 120 GLU CA C 57.127 . 1 1137 120 120 GLU CB C 33.031 . 1 1138 120 120 GLU CG C 35.419 . 1 1139 120 120 GLU N N 125.905 . 1 1140 121 121 ILE H H 7.844 . 1 1141 121 121 ILE HA H 4.540 . 1 1142 121 121 ILE HB H 0.903 . 1 1143 121 121 ILE HD1 H -0.137 . 1 1144 121 121 ILE HG12 H 0.411 . 1 1145 121 121 ILE HG13 H -0.366 . 1 1146 121 121 ILE HG2 H -0.366 . 1 1147 121 121 ILE C C 172.708 . 1 1148 121 121 ILE CA C 58.347 . 1 1149 121 121 ILE CB C 43.480 . 1 1150 121 121 ILE CD1 C 16.164 . 1 1151 121 121 ILE CG1 C 26.284 . 1 1152 121 121 ILE CG2 C 20.015 . 1 1153 121 121 ILE N N 114.563 . 1 1154 122 122 PHE H H 8.070 . 1 1155 122 122 PHE HA H 5.793 . 1 1156 122 122 PHE HB2 H 2.734 . 2 1157 122 122 PHE HB3 H 2.484 . 2 1158 122 122 PHE HD1 H 6.445 . 3 1159 122 122 PHE HD2 H 6.445 . 3 1160 122 122 PHE HE1 H 6.601 . 3 1161 122 122 PHE HE2 H 6.601 . 3 1162 122 122 PHE C C 173.065 . 1 1163 122 122 PHE CA C 54.628 . 1 1164 122 122 PHE CB C 44.376 . 1 1165 122 122 PHE CD1 C 131.668 . 3 1166 122 122 PHE CD2 C 131.668 . 3 1167 122 122 PHE CE1 C 131.668 . 3 1168 122 122 PHE CE2 C 131.688 . 3 1169 122 122 PHE N N 116.429 . 1 1170 123 123 THR H H 8.772 . 1 1171 123 123 THR HA H 4.877 . 1 1172 123 123 THR HB H 3.605 . 1 1173 123 123 THR HG2 H 1.208 . 1 1174 123 123 THR C C 172.408 . 1 1175 123 123 THR CA C 62.198 . 1 1176 123 123 THR CB C 72.408 . 1 1177 123 123 THR CG2 C 23.329 . 1 1178 123 123 THR N N 116.319 . 1 1179 124 124 TYR H H 9.996 . 1 1180 124 124 TYR HA H 5.396 . 1 1181 124 124 TYR HB2 H 2.991 . 2 1182 124 124 TYR HB3 H 2.588 . 2 1183 124 124 TYR HD1 H 6.739 . 3 1184 124 124 TYR HE1 H 7.089 . 3 1185 124 124 TYR C C 173.322 . 1 1186 124 124 TYR CA C 56.056 . 1 1187 124 124 TYR CB C 40.972 . 1 1188 124 124 TYR CE1 C 119.113 . 3 1189 124 124 TYR N N 128.182 . 1 1190 125 125 ASN H H 8.159 . 1 1191 125 125 ASN HA H 4.877 . 1 1192 125 125 ASN HB2 H 2.831 . 2 1193 125 125 ASN HB3 H 2.554 . 2 1194 125 125 ASN HD21 H 7.688 . 2 1195 125 125 ASN HD22 H 6.796 . 2 1196 125 125 ASN C C 174.992 . 1 1197 125 125 ASN CA C 51.683 . 1 1198 125 125 ASN CB C 39.808 . 1 1199 125 125 ASN N N 127.174 . 1 1200 125 125 ASN ND2 N 113.872 . 1 1201 126 126 GLU H H 8.433 . 1 1202 126 126 GLU HA H 3.634 . 1 1203 126 126 GLU HB2 H 2.041 . 2 1204 126 126 GLU HB3 H 1.982 . 2 1205 126 126 GLU HG2 H 2.373 . 2 1206 126 126 GLU HG3 H 2.244 . 2 1207 126 126 GLU C C 178.132 . 1 1208 126 126 GLU CA C 58.822 . 1 1209 126 126 GLU CB C 29.777 . 1 1210 126 126 GLU CG C 36.136 . 1 1211 126 126 GLU N N 124.216 . 1 1212 127 127 HIS H H 8.506 . 1 1213 127 127 HIS HA H 4.316 . 1 1214 127 127 HIS HB2 H 3.261 . 2 1215 127 127 HIS HB3 H 3.157 . 2 1216 127 127 HIS C C 176.790 . 1 1217 127 127 HIS CA C 58.795 . 1 1218 127 127 HIS CB C 28.792 . 1 1219 127 127 HIS N N 118.909 . 1 1220 128 128 ASP H H 7.831 . 1 1221 128 128 ASP HA H 4.431 . 1 1222 128 128 ASP HB2 H 2.596 . 2 1223 128 128 ASP HB3 H 2.180 . 2 1224 128 128 ASP C C 174.564 . 1 1225 128 128 ASP CA C 53.511 . 1 1226 128 128 ASP CB C 40.883 . 1 1227 128 128 ASP N N 116.331 . 1 1228 129 129 GLN H H 7.723 . 1 1229 129 129 GLN HA H 3.437 . 1 1230 129 129 GLN HB2 H 2.260 . 2 1231 129 129 GLN HB3 H 2.150 . 2 1232 129 129 GLN HE21 H 7.578 . 2 1233 129 129 GLN HE22 H 6.662 . 2 1234 129 129 GLN HG2 H 2.155 . 2 1235 129 129 GLN HG3 H 2.152 . 2 1236 129 129 GLN C C 173.165 . 1 1237 129 129 GLN CA C 56.681 . 1 1238 129 129 GLN CB C 25.836 . 1 1239 129 129 GLN CG C 34.613 . 1 1240 129 129 GLN N N 117.128 . 1 1241 129 129 GLN NE2 N 111.381 . 1 1242 130 130 LYS H H 7.039 . 1 1243 130 130 LYS HA H 5.120 . 1 1244 130 130 LYS HB2 H 1.500 . 2 1245 130 130 LYS HB3 H 1.377 . 2 1246 130 130 LYS HD2 H 1.498 . 2 1247 130 130 LYS HD3 H 1.493 . 2 1248 130 130 LYS HE2 H 2.713 . 2 1249 130 130 LYS HE3 H 2.706 . 2 1250 130 130 LYS HG2 H 1.118 . 2 1251 130 130 LYS HG3 H 1.106 . 2 1252 130 130 LYS C C 176.319 . 1 1253 130 130 LYS CA C 55.074 . 1 1254 130 130 LYS CB C 37.902 . 1 1255 130 130 LYS CD C 29.329 . 1 1256 130 130 LYS CE C 41.868 . 1 1257 130 130 LYS CG C 25.120 . 1 1258 130 130 LYS N N 114.626 . 1 1259 131 131 CYS H H 9.717 . 1 1260 131 131 CYS HA H 5.488 . 1 1261 131 131 CYS HB2 H 2.706 . 2 1262 131 131 CYS HB3 H 2.318 . 2 1263 131 131 CYS C C 174.663 . 1 1264 131 131 CYS CA C 52.665 . 1 1265 131 131 CYS CB C 42.226 . 1 1266 131 131 CYS N N 126.201 . 1 1267 132 132 THR H H 9.059 . 1 1268 132 132 THR HA H 4.738 . 1 1269 132 132 THR HB H 4.058 . 1 1270 132 132 THR HG2 H 1.187 . 1 1271 132 132 THR C C 174.092 . 1 1272 132 132 THR CA C 59.626 . 1 1273 132 132 THR CB C 71.513 . 1 1274 132 132 THR CG2 C 23.329 . 1 1275 132 132 THR N N 112.886 . 1 1276 133 133 PHE H H 8.614 . 1 1277 133 133 PHE HA H 5.337 . 1 1278 133 133 PHE HB2 H 3.088 . 2 1279 133 133 PHE HB3 H 2.658 . 2 1280 133 133 PHE HD1 H 7.195 . 3 1281 133 133 PHE HD2 H 7.195 . 3 1282 133 133 PHE HE1 H 7.652 . 3 1283 133 133 PHE HE2 H 7.652 . 3 1284 133 133 PHE HZ H 7.058 . 1 1285 133 133 PHE C C 174.835 . 1 1286 133 133 PHE CA C 57.484 . 1 1287 133 133 PHE CB C 43.211 . 1 1288 133 133 PHE CD1 C 133.875 . 3 1289 133 133 PHE CD2 C 133.875 . 3 1290 133 133 PHE CE1 C 131.688 . 3 1291 133 133 PHE CE2 C 131.688 . 3 1292 133 133 PHE CZ C 128.954 . 1 1293 133 133 PHE N N 118.744 . 1 1294 134 134 LYS H H 8.775 . 1 1295 134 134 LYS HA H 5.119 . 1 1296 134 134 LYS HB2 H 1.894 . 2 1297 134 134 LYS HB3 H 1.639 . 2 1298 134 134 LYS HD2 H 1.494 . 2 1299 134 134 LYS HD3 H 1.494 . 2 1300 134 134 LYS HE2 H 2.706 . 2 1301 134 134 LYS HE3 H 2.706 . 2 1302 134 134 LYS HG2 H 1.117 . 2 1303 134 134 LYS HG3 H 1.117 . 2 1304 134 134 LYS C C 175.820 . 1 1305 134 134 LYS CA C 52.218 . 1 1306 134 134 LYS CB C 33.180 . 1 1307 134 134 LYS CD C 29.5808 . 1 1308 134 134 LYS CE C 42.047 . 1 1309 134 134 LYS N N 120.115 . 1 1310 135 135 GLY H H 9.467 . 1 1311 135 135 GLY HA2 H 4.738 . 2 1312 135 135 GLY HA3 H 3.795 . 2 1313 135 135 GLY C C 172.322 . 1 1314 135 135 GLY CA C 43.713 . 1 1315 135 135 GLY N N 111.821 . 1 1316 136 136 ARG H H 8.443 . 1 1317 136 136 ARG HA H 4.205 . 1 1318 136 136 ARG HB2 H 2.020 . 2 1319 136 136 ARG HB3 H 1.909 . 2 1320 136 136 ARG HD2 H 3.268 . 2 1321 136 136 ARG HD3 H 3.268 . 2 1322 136 136 ARG HG2 H 1.721 . 2 1323 136 136 ARG HG3 H 1.680 . 2 1324 136 136 ARG C C 177.775 . 1 1325 136 136 ARG CA C 57.841 . 1 1326 136 136 ARG CB C 29.956 . 1 1327 136 136 ARG CD C 43.570 . 1 1328 136 136 ARG CG C 27.001 . 1 1329 136 136 ARG N N 120.021 . 1 1330 137 137 GLY H H 8.426 . 1 1331 137 137 GLY HA2 H 4.387 . 2 1332 137 137 GLY HA3 H 3.714 . 2 1333 137 137 GLY C C 176.605 . 1 1334 137 137 GLY CA C 44.913 . 1 1335 137 137 GLY N N 108.972 . 1 1336 138 138 PHE H H 7.852 . 1 1337 138 138 PHE HA H 4.343 . 1 1338 138 138 PHE HB2 H 3.466 . 2 1339 138 138 PHE HB3 H 2.589 . 2 1340 138 138 PHE HD1 H 6.865 . 3 1341 138 138 PHE HD2 H 6.865 . 3 1342 138 138 PHE HE1 H 7.150 . 3 1343 138 138 PHE HE2 H 7.150 . 3 1344 138 138 PHE C C 176.662 . 1 1345 138 138 PHE CA C 59.626 . 1 1346 138 138 PHE CB C 37.121 . 1 1347 138 138 PHE CD1 C 132.782 . 3 1348 138 138 PHE CD2 C 132.782 . 3 1349 138 138 PHE CE1 C 131.141 . 3 1350 138 138 PHE CE2 C 131.141 . 3 1351 138 138 PHE N N 118.199 . 1 1352 139 139 SER H H 7.269 . 1 1353 139 139 SER HA H 3.296 . 1 1354 139 139 SER HB2 H 3.733 . 2 1355 139 139 SER HB3 H 3.291 . 2 1356 139 139 SER C C 175.977 . 1 1357 139 139 SER CA C 62.1512 . 1 1358 139 139 SER CB C 62.4037 . 1 1359 139 139 SER N N 116.748 . 1 1360 140 140 ALA H H 7.270 . 1 1361 140 140 ALA HA H 4.080 . 1 1362 140 140 ALA HB H 1.010 . 1 1363 140 140 ALA C C 177.404 . 1 1364 140 140 ALA CA C 53.200 . 1 1365 140 140 ALA CB C 18.313 . 1 1366 140 140 ALA N N 123.124 . 1 1367 141 141 PHE H H 8.181 . 1 1368 141 141 PHE HA H 4.562 . 1 1369 141 141 PHE HB2 H 3.342 . 2 1370 141 141 PHE HB3 H 2.918 . 2 1371 141 141 PHE HD1 H 7.286 . 3 1372 141 141 PHE HD2 H 7.286 . 3 1373 141 141 PHE C C 174.249 . 1 1374 141 141 PHE CA C 56.859 . 1 1375 141 141 PHE CB C 39.181 . 1 1376 141 141 PHE CD1 C 131.688 . 3 1377 141 141 PHE CD2 C 131.688 . 3 1378 141 141 PHE N N 115.710 . 1 1379 142 142 LYS H H 7.008 . 1 1380 142 142 LYS HA H 3.517 . 1 1381 142 142 LYS HB2 H 1.778 . 2 1382 142 142 LYS HB3 H 1.712 . 2 1383 142 142 LYS HD2 H 1.749 . 2 1384 142 142 LYS HD3 H 1.798 . 2 1385 142 142 LYS HE2 H 2.901 . 2 1386 142 142 LYS HE3 H 2.776 . 2 1387 142 142 LYS HG2 H 0.861 . 2 1388 142 142 LYS HG3 H 0.806 . 2 1389 142 142 LYS C C 175.991 . 1 1390 142 142 LYS CA C 58.376 . 1 1391 142 142 LYS CB C 33.432 . 1 1392 142 142 LYS CD C 30.035 . 1 1393 142 142 LYS CE C 42.014 . 1 1394 142 142 LYS CG C 25.208 . 1 1395 142 142 LYS N N 121.014 . 1 1396 143 143 GLU H H 8.891 . 1 1397 143 143 GLU HA H 4.555 . 1 1398 143 143 GLU HB2 H 1.851 . 2 1399 143 143 GLU HB3 H 1.726 . 2 1400 143 143 GLU HG2 H 2.228 . 2 1401 143 143 GLU HG3 H 2.131 . 2 1402 143 143 GLU C C 174.449 . 1 1403 143 143 GLU CA C 55.253 . 1 1404 143 143 GLU CB C 32.464 . 1 1405 143 143 GLU CG C 36.225 . 1 1406 143 143 GLU N N 129.593 . 1 1407 144 144 ARG H H 8.492 . 1 1408 144 144 ARG HA H 4.274 . 1 1409 144 144 ARG HB2 H 1.602 . 2 1410 144 144 ARG HB3 H 1.595 . 2 1411 144 144 ARG HD2 H 3.157 . 2 1412 144 144 ARG HD3 H 3.150 . 2 1413 144 144 ARG HG2 H 1.604 . 2 1414 144 144 ARG HG3 H 1.368 . 2 1415 144 144 ARG C C 176.519 . 1 1416 144 144 ARG CA C 55.074 . 1 1417 144 144 ARG CB C 32.285 . 1 1418 144 144 ARG CD C 43.266 . 1 1419 144 144 ARG CG C 27.353 . 1 1420 144 144 ARG N N 121.693 . 1 1421 145 145 GLY H H 8.379 . 1 1422 145 145 GLY HA2 H 3.834 . 2 1423 145 145 GLY HA3 H 2.969 . 2 1424 145 145 GLY C C 174.133 . 1 1425 145 145 GLY CA C 46.660 . 1 1426 145 145 GLY N N 110.216 . 1 1427 146 146 VAL HA H 3.824 . 1 1428 146 146 VAL HB H 1.573 . 1 1429 146 146 VAL HG1 H 0.778 . 2 1430 146 146 VAL HG2 H 0.619 . 2 1431 146 146 VAL C C 174.549 . 1 1432 146 146 VAL CA C 61.768 . 1 1433 146 146 VAL CB C 31.120 . 1 1434 146 146 VAL CG1 C 21.717 . 1 1435 146 146 VAL CG2 C 20.731 . 1 1436 147 147 LEU H H 8.004 . 1 1437 147 147 LEU HA H 3.788 . 1 1438 147 147 LEU HB2 H 1.569 . 2 1439 147 147 LEU HB3 H 1.389 . 2 1440 147 147 LEU HD1 H 0.813 . 2 1441 147 147 LEU HD2 H 0.577 . 2 1442 147 147 LEU HG H 1.556 . 1 1443 147 147 LEU C C 179.046 . 1 1444 147 147 LEU CA C 55.788 . 1 1445 147 147 LEU CB C 41.299 . 1 1446 147 147 LEU CD1 C 24.762 . 1 1447 147 147 LEU CD2 C 22.612 . 1 1448 147 147 LEU CG C 26.996 . 1 1449 147 147 LEU N N 125.630 . 1 1450 148 148 GLY H H 8.631 . 1 1451 148 148 GLY HA2 H 3.985 . 2 1452 148 148 GLY HA3 H 3.766 . 2 1453 148 148 GLY C C 173.678 . 1 1454 148 148 GLY CA C 45.882 . 1 1455 148 148 GLY N N 108.591 . 1 1456 149 149 VAL H H 7.261 . 1 1457 149 149 VAL HA H 5.600 . 1 1458 149 149 VAL HB H 1.858 . 1 1459 149 149 VAL HG1 H 0.841 . 2 1460 149 149 VAL HG2 H 0.667 . 2 1461 149 149 VAL C C 175.120 . 1 1462 149 149 VAL CA C 59.422 . 1 1463 149 149 VAL CB C 35.419 . 1 1464 149 149 VAL CG1 C 21.717 . 1 1465 149 149 VAL CG2 C 19.925 . 1 1466 149 149 VAL N N 112.944 . 1 1467 150 150 THR H H 8.822 . 1 1468 150 150 THR HA H 5.089 . 1 1469 150 150 THR HB H 4.146 . 1 1470 150 150 THR HG2 H 1.389 . 1 1471 150 150 THR C C 172.808 . 1 1472 150 150 THR CA C 61.589 . 1 1473 150 150 THR CB C 71.871 . 1 1474 150 150 THR CG2 C 22.075 . 1 1475 150 150 THR N N 119.487 . 1 1476 151 151 SER H H 8.406 . 1 1477 151 151 SER HA H 5.374 . 1 1478 151 151 SER HB2 H 3.861 . 2 1479 151 151 SER HB3 H 3.473 . 2 1480 151 151 SER C C 171.352 . 1 1481 151 151 SER CA C 57.573 . 1 1482 151 151 SER CB C 67.393 . 1 1483 151 151 SER N N 120.972 . 1 1484 152 152 GLY H H 7.057 . 1 1485 152 152 GLY HA2 H 4.158 . 2 1486 152 152 GLY HA3 H 2.780 . 2 1487 152 152 GLY CA C 45.069 . 1 1488 152 152 GLY N N 107.141 . 1 1489 153 153 PRO HD2 H 4.148 . 2 1490 153 153 PRO C C 175.263 . 1 1491 153 153 PRO CA C 61.589 . 1 1492 153 153 PRO CB C 32.822 . 1 1493 154 154 LYS H H 6.995 . 1 1494 154 154 LYS HA H 3.269 . 1 1495 154 154 LYS HB2 H 1.704 . 2 1496 154 154 LYS HB3 H 1.479 . 2 1497 154 154 LYS HD2 H 1.852 . 2 1498 154 154 LYS HD3 H 1.787 . 2 1499 154 154 LYS HE2 H 3.102 . 2 1500 154 154 LYS HE3 H 2.949 . 2 1501 154 154 LYS HG2 H 1.132 . 2 1502 154 154 LYS HG3 H 1.083 . 2 1503 154 154 LYS C C 173.636 . 1 1504 154 154 LYS CA C 59.269 . 1 1505 154 154 LYS CB C 33.897 . 1 1506 154 154 LYS CD C 29.240 . 1 1507 154 154 LYS CE C 42.495 . 1 1508 154 154 LYS CG C 24.045 . 1 1509 154 154 LYS N N 117.792 . 1 1510 155 155 GLN H H 6.920 . 1 1511 155 155 GLN HA H 4.051 . 1 1512 155 155 GLN HB2 H 1.770 . 2 1513 155 155 GLN HB3 H 1.653 . 2 1514 155 155 GLN HE21 H 6.975 . 2 1515 155 155 GLN HE22 H 6.535 . 2 1516 155 155 GLN HG2 H 2.353 . 2 1517 155 155 GLN HG3 H 2.346 . 2 1518 155 155 GLN C C 174.906 . 1 1519 155 155 GLN CA C 54.806 . 1 1520 155 155 GLN CB C 29.231 . 1 1521 155 155 GLN CG C 33.449 . 1 1522 155 155 GLN N N 112.420 . 1 1523 156 156 PHE H H 7.004 . 1 1524 156 156 PHE HA H 4.036 . 1 1525 156 156 PHE HB2 H 3.415 . 2 1526 156 156 PHE HB3 H 2.574 . 2 1527 156 156 PHE HD1 H 7.515 . 3 1528 156 156 PHE HD2 H 7.515 . 3 1529 156 156 PHE HE1 H 7.201 . 3 1530 156 156 PHE HE2 H 7.201 . 3 1531 156 156 PHE C C 179.017 . 1 1532 156 156 PHE CA C 59.626 . 1 1533 156 156 PHE CB C 38.644 . 1 1534 156 156 PHE CD1 C 132.235 . 3 1535 156 156 PHE CD2 C 132.235 . 3 1536 156 156 PHE CE1 C 129.501 . 3 1537 156 156 PHE CE2 C 129.501 . 3 1538 156 156 PHE N N 120.233 . 1 1539 157 157 CYS H H 10.861 . 1 1540 157 157 CYS HA H 4.533 . 1 1541 157 157 CYS HB2 H 3.254 . 2 1542 157 157 CYS HB3 H 2.779 . 2 1543 157 157 CYS C C 176.334 . 1 1544 157 157 CYS CA C 54.562 . 1 1545 157 157 CYS CB C 34.791 . 1 1546 157 157 CYS N N 121.453 . 1 1547 158 158 ASP H H 8.951 . 1 1548 158 158 ASP HA H 4.657 . 1 1549 158 158 ASP HB2 H 3.027 . 2 1550 158 158 ASP HB3 H 2.896 . 2 1551 158 158 ASP C C 175.920 . 1 1552 158 158 ASP CA C 53.200 . 1 1553 158 158 ASP CB C 38.644 . 1 1554 158 158 ASP N N 115.788 . 1 1555 159 159 GLU H H 7.490 . 1 1556 159 159 GLU HA H 4.577 . 1 1557 159 159 GLU HB2 H 2.421 . 2 1558 159 159 GLU HB3 H 1.843 . 2 1559 159 159 GLU HG2 H 2.235 . 2 1560 159 159 GLU HG3 H 2.242 . 2 1561 159 159 GLU C C 176.534 . 1 1562 159 159 GLU CA C 55.074 . 1 1563 159 159 GLU CB C 30.404 . 1 1564 159 159 GLU CG C 36.136 . 1 1565 159 159 GLU N N 119.367 . 1 1566 160 160 GLY H H 7.952 . 1 1567 160 160 GLY HA2 H 3.948 . 2 1568 160 160 GLY HA3 H 3.906 . 2 1569 160 160 GLY C C 175.391 . 1 1570 160 160 GLY CA C 45.283 . 1 1571 160 160 GLY N N 107.221 . 1 1572 161 161 GLY H H 8.199 . 1 1573 161 161 GLY HA2 H 3.970 . 2 1574 161 161 GLY HA3 H 3.976 . 2 1575 161 161 GLY C C 173.993 . 1 1576 161 161 GLY CA C 45.233 . 1 1577 161 161 GLY N N 108.674 . 1 1578 162 162 LYS H H 7.945 . 1 1579 162 162 LYS HA H 4.191 . 1 1580 162 162 LYS HB2 H 2.061 . 2 1581 162 162 LYS HB3 H 2.061 . 2 1582 162 162 LYS HG2 H 0.889 . 2 1583 162 162 LYS HG3 H 0.889 . 2 1584 162 162 LYS C C 176.162 . 1 1585 162 162 LYS CA C 62.307 . 1 1586 162 162 LYS CB C 32.806 . 1 1587 162 162 LYS CG C 20.917 . 1 1588 163 163 LEU H H 8.401 . 1 1589 163 163 LEU HA H 4.343 . 1 1590 163 163 LEU HB2 H 1.604 . 2 1591 163 163 LEU HB3 H 1.403 . 2 1592 163 163 LEU HD1 H 0.827 . 2 1593 163 163 LEU HD2 H 0.816 . 2 1594 163 163 LEU HG H 1.465 . 1 1595 163 163 LEU C C 177.661 . 1 1596 163 163 LEU CA C 55.163 . 1 1597 163 163 LEU CB C 42.316 . 1 1598 163 163 LEU CD1 C 24.851 . 1 1599 163 163 LEU CD2 C 23.597 . 1 1600 163 163 LEU CG C 27.001 . 1 1601 163 163 LEU N N 125.712 . 1 1602 164 164 THR H H 8.221 . 1 1603 164 164 THR HA H 4.332 . 1 1604 164 164 THR HB H 4.229 . 1 1605 164 164 THR HG2 H 1.172 . 1 1606 164 164 THR CA C 61.700 . 1 1607 164 164 THR CB C 69.811 . 1 1608 164 164 THR CG2 C 21.497 . 1 1609 164 164 THR N N 115.042 . 1 1610 165 165 GLN CA C 52.492 . 1 1611 166 166 GLU H H 8.289 . 1 1612 166 166 GLU HA H 4.243 . 1 1613 166 166 GLU CB C 26.725 . 1 1614 166 166 GLU N N 115.914 . 1 1615 167 167 GLU H H 8.344 . 1 1616 167 167 GLU N N 121.601 . 1 1617 168 168 MET H H 7.886 . 1 1618 168 168 MET HB2 H 1.473 . 2 1619 168 168 MET C C 176.666 . 1 1620 168 168 MET CA C 55.669 . 1 1621 168 168 MET CB C 32.812 . 1 1622 168 168 MET N N 126.199 . 1 1623 169 169 GLU H H 8.344 . 1 1624 169 169 GLU HA H 4.208 . 1 1625 169 169 GLU HB2 H 2.240 . 2 1626 169 169 GLU HB3 H 2.256 . 2 1627 169 169 GLU HG2 H 2.234 . 2 1628 169 169 GLU C C 176.451 . 1 1629 169 169 GLU CA C 57.037 . 1 1630 169 169 GLU CB C 30.273 . 1 1631 169 169 GLU CG C 36.04931 . 1 1632 169 169 GLU N N 121.601 . 1 1633 170 170 ASP H H 8.279 . 1 1634 170 170 ASP HA H 4.555 . 1 1635 170 170 ASP HB2 H 2.655 . 2 1636 170 170 ASP HB3 H 2.595 . 2 1637 170 170 ASP C C 176.248 . 1 1638 170 170 ASP CA C 54.539 . 1 1639 170 170 ASP CB C 41.151 . 1 1640 170 170 ASP N N 120.828 . 1 1641 171 171 GLN H H 8.143 . 1 1642 171 171 GLN HA H 4.292 . 1 1643 171 171 GLN HB2 H 2.089 . 2 1644 171 171 GLN HB3 H 1.978 . 2 1645 171 171 GLN HE21 H 7.416 . 2 1646 171 171 GLN HE22 H 6.807 . 2 1647 171 171 GLN HG2 H 2.332 . 2 1648 171 171 GLN HG3 H 2.339 . 2 1649 171 171 GLN C C 176.048 . 1 1650 171 171 GLN CA C 55.779 . 1 1651 171 171 GLN CB C 29.123 . 1 1652 171 171 GLN CG C 33.700 . 1 1653 171 171 GLN N N 119.773 . 1 1654 171 171 GLN NE2 N 113.132 . 1 1655 172 172 ILE H H 8.100 . 1 1656 172 172 ILE HA H 4.170 . 1 1657 172 172 ILE HB H 1.860 . 1 1658 172 172 ILE HD1 H 0.834 . 1 1659 172 172 ILE HG12 H 1.437 . 1 1660 172 172 ILE HG13 H 1.153 . 1 1661 172 172 ILE HG2 H 0.875 . 1 1662 172 172 ILE C C 176.357 . 1 1663 172 172 ILE CA C 61.321 . 1 1664 172 172 ILE CB C 38.554 . 1 1665 172 172 ILE CD1 C 12.939 . 1 1666 172 172 ILE CG1 C 27.180 . 1 1667 172 172 ILE CG2 C 17.507 . 1 1668 172 172 ILE N N 121.562 . 1 1669 173 173 SER H H 8.324 . 1 1670 173 173 SER HA H 4.489 . 1 1671 173 173 SER HB2 H 3.844 . 2 1672 173 173 SER HB3 H 3.844 . 2 1673 173 173 SER C C 174.364 . 1 1674 173 173 SER CA C 58.108 . 1 1675 173 173 SER CB C 63.810 . 1 1676 173 173 SER N N 120.026 . 1 1677 174 174 GLY H H 8.223 . 1 1678 174 174 GLY C C 171.566 . 1 1679 174 174 GLY CA C 44.722 . 1 1680 174 174 GLY N N 110.674 . 1 stop_ save_