data_15692 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of MIC1-CT from Toxoplasma gondii in complex with EGF3 from TgMIC6 ; _BMRB_accession_number 15692 _BMRB_flat_file_name bmr15692.str _Entry_type original _Submission_date 2008-03-25 _Accession_date 2008-03-25 _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 Saouros Savvas . . 2 Sawmynaden Kovilen . . 3 Simpson Peter . . 4 Matthews Stephen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 370 "13C chemical shifts" 355 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-10-31 update BMRB 'change the outlier of 60 VAL N 1116.400 to 116.40' 2009-08-13 update BMRB 'added PubMed ID and related entries' 2009-04-30 update BMRB 'complete entry citation' 2008-10-15 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15682 'unbound EGF2' 15685 'EGF2 - MIC1 complex' 6376 'C-terminal domain from TgMIC1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Complete resonance assignment of the galectin-like domain of MIC1 from Toxoplasma gondii in complex with the second EGF domain from MIC6 and the backbone assignment in complex with the third EGF domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636898 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saouros Savvas . . 2 Sawmynaden Kovilen . . 3 Marchant Jan . . 4 Simpson Peter . . 5 Matthews Stephen . . stop_ _Journal_abbreviation 'Biomol. 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 175 _Page_last 177 _Year 2008 _Details . loop_ _Keyword microneme TgMIC1 TgMIC6 'Toxoplasma gondii' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TgMIC1 in complex with TgMIC6-EGF3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TgMIC1-CT $TgMIC1-CT TgMIC6-EGF3 $TgMIC6-EGF3 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_TgMIC1-CT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TgMIC1-CT _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; MKTEIHGDSTKATLEEGQQL TLTFISTKLDVAVGSCHSLV ANFLDGFLKFQTGSNSAFDV VEVEEPAGPAVLTIGLGHKG RLAVVLDYTRLNAALGSAAY VVEDSGCSSSEEVSFQGVGS GATLVVTTLGESPTAVSA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 LYS 3 2 THR 4 3 GLU 5 4 ILE 6 5 HIS 7 6 GLY 8 7 ASP 9 8 SER 10 9 THR 11 10 LYS 12 11 ALA 13 12 THR 14 13 LEU 15 14 GLU 16 15 GLU 17 16 GLY 18 17 GLN 19 18 GLN 20 19 LEU 21 20 THR 22 21 LEU 23 22 THR 24 23 PHE 25 24 ILE 26 25 SER 27 26 THR 28 27 LYS 29 28 LEU 30 29 ASP 31 30 VAL 32 31 ALA 33 32 VAL 34 33 GLY 35 34 SER 36 35 CYS 37 36 HIS 38 37 SER 39 38 LEU 40 39 VAL 41 40 ALA 42 41 ASN 43 42 PHE 44 43 LEU 45 44 ASP 46 45 GLY 47 46 PHE 48 47 LEU 49 48 LYS 50 49 PHE 51 50 GLN 52 51 THR 53 52 GLY 54 53 SER 55 54 ASN 56 55 SER 57 56 ALA 58 57 PHE 59 58 ASP 60 59 VAL 61 60 VAL 62 61 GLU 63 62 VAL 64 63 GLU 65 64 GLU 66 65 PRO 67 66 ALA 68 67 GLY 69 68 PRO 70 69 ALA 71 70 VAL 72 71 LEU 73 72 THR 74 73 ILE 75 74 GLY 76 75 LEU 77 76 GLY 78 77 HIS 79 78 LYS 80 79 GLY 81 80 ARG 82 81 LEU 83 82 ALA 84 83 VAL 85 84 VAL 86 85 LEU 87 86 ASP 88 87 TYR 89 88 THR 90 89 ARG 91 90 LEU 92 91 ASN 93 92 ALA 94 93 ALA 95 94 LEU 96 95 GLY 97 96 SER 98 97 ALA 99 98 ALA 100 99 TYR 101 100 VAL 102 101 VAL 103 102 GLU 104 103 ASP 105 104 SER 106 105 GLY 107 106 CYS 108 107 SER 109 108 SER 110 109 SER 111 110 GLU 112 111 GLU 113 112 VAL 114 113 SER 115 114 PHE 116 115 GLN 117 116 GLY 118 117 VAL 119 118 GLY 120 119 SER 121 120 GLY 122 121 ALA 123 122 THR 124 123 LEU 125 124 VAL 126 125 VAL 127 126 THR 128 127 THR 129 128 LEU 130 129 GLY 131 130 GLU 132 131 SER 133 132 PRO 134 133 THR 135 134 ALA 136 135 VAL 137 136 SER 138 137 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2BVB "The C-Terminal Domain From Micronemal Protein 1 (Mic1) From Toxoplasma Gondii" 99.28 137 100.00 100.00 1.41e-90 PDB 2K2S "Structure Of The Mic1-GldMIC6-Egf Complex From Toxoplasma Gondii" 98.55 136 100.00 100.00 6.94e-90 EMBL CAA96466 "microneme [Toxoplasma gondii]" 99.28 456 100.00 100.00 2.78e-86 GB EPR59679 "microneme protein MIC1 [Toxoplasma gondii GT1]" 99.28 456 100.00 100.00 2.78e-86 GB EPT28103 "microneme protein MIC1 [Toxoplasma gondii ME49]" 99.28 456 100.00 100.00 2.87e-86 GB ESS33997 "microneme protein MIC1 [Toxoplasma gondii VEG]" 99.28 456 100.00 100.00 2.87e-86 GB KFG30856 "microneme protein MIC1 [Toxoplasma gondii p89]" 99.28 456 99.27 100.00 1.08e-85 GB KFG41657 "microneme protein MIC1 [Toxoplasma gondii FOU]" 99.28 456 100.00 100.00 2.78e-86 REF XP_002368531 "microneme protein MIC1 [Toxoplasma gondii ME49]" 99.28 456 100.00 100.00 2.87e-86 SP O00834 "RecName: Full=Micronemal protein 1; Flags: Precursor" 99.28 456 100.00 100.00 2.78e-86 TPE CEL76086 "TPA: microneme protein MIC1 [Toxoplasma gondii VEG]" 99.28 456 100.00 100.00 2.87e-86 stop_ save_ save_TgMIC6-EGF3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TgMIC6-EGF3 _Molecular_mass . _Mol_thiol_state 'not reported' _Details . _Residue_count 69 _Mol_residue_sequence ; IVRQESGCEENGCGPPDAVQ SCRRLTGTAGRLCVCKENFI ATIDASAHITCKRVPPHYRK PPFEFGKGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 141 ILE 2 142 VAL 3 143 ARG 4 144 GLN 5 145 GLU 6 146 SER 7 147 GLY 8 148 CYS 9 149 GLU 10 150 GLU 11 151 ASN 12 152 GLY 13 153 CYS 14 154 GLY 15 155 PRO 16 156 PRO 17 157 ASP 18 158 ALA 19 159 VAL 20 160 GLN 21 161 SER 22 162 CYS 23 163 ARG 24 164 ARG 25 165 LEU 26 166 THR 27 167 GLY 28 168 THR 29 169 ALA 30 170 GLY 31 171 ARG 32 172 LEU 33 173 CYS 34 174 VAL 35 175 CYS 36 176 LYS 37 177 GLU 38 178 ASN 39 179 PHE 40 180 ILE 41 181 ALA 42 182 THR 43 183 ILE 44 184 ASP 45 185 ALA 46 186 SER 47 187 ALA 48 188 HIS 49 189 ILE 50 190 THR 51 191 CYS 52 192 LYS 53 193 ARG 54 194 VAL 55 195 PRO 56 196 PRO 57 197 HIS 58 198 TYR 59 199 ARG 60 200 LYS 61 201 PRO 62 202 PRO 63 203 PHE 64 204 GLU 65 205 PHE 66 206 GLY 67 207 LYS 68 208 GLY 69 209 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-09-14 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 GB AAD28185 "micronemal protein MIC6 [Toxoplasma gondii]" 100.00 349 100.00 100.00 1.44e-40 GB EPR63801 "microneme protein MIC6 [Toxoplasma gondii GT1]" 100.00 349 100.00 100.00 1.44e-40 GB EPT24678 "microneme protein MIC6 [Toxoplasma gondii ME49]" 100.00 349 100.00 100.00 1.50e-40 GB ESS28844 "microneme protein MIC6 [Toxoplasma gondii VEG]" 100.00 349 100.00 100.00 1.38e-40 GB KFG37976 "microneme protein MIC6 [Toxoplasma gondii p89]" 100.00 349 100.00 100.00 1.38e-40 REF XP_002370636 "microneme protein MIC6 [Toxoplasma gondii ME49]" 100.00 349 100.00 100.00 1.50e-40 SP Q9XYH7 "RecName: Full=Micronemal protein 6; Flags: Precursor [Toxoplasma gondii]" 100.00 349 100.00 100.00 1.44e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TgMIC1-CT 'Toxoplasma gondii' 5811 Eukaryota . Toxoplasma gondii $TgMIC6-EGF3 '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 $TgMIC1-CT 'recombinant technology' . Escherichia coli . 'pET 21b' $TgMIC6-EGF3 'recombinant technology' . Escherichia coli . 'pET 21b' 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 $TgMIC1-CT 1-1.3 mM '[U-100% 13C; U-100% 15N]' $TgMIC6-EGF3 1-1.3 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' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _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_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 6.9 . pH pressure 1 . atm temperature 308 . 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 water H 1 protons ppm 0 internal indirect . . . 1 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_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HNCO' '3D HN(CO)CA' 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 TgMIC1-CT _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 2 LYS HA H 4.820 . 1 2 1 2 LYS HB2 H 1.780 . 2 3 1 2 LYS HB3 H 1.780 . 2 4 1 2 LYS C C 175.730 . 1 5 1 2 LYS CA C 55.920 . 1 6 1 2 LYS CB C 33.930 . 1 7 2 3 THR H H 8.800 . 1 8 2 3 THR HA H 4.530 . 1 9 2 3 THR HB H 4.070 . 1 10 2 3 THR C C 173.540 . 1 11 2 3 THR CA C 61.650 . 1 12 2 3 THR CB C 70.520 . 1 13 2 3 THR N N 119.380 . 1 14 3 4 GLU H H 8.470 . 1 15 3 4 GLU HA H 4.450 . 1 16 3 4 GLU HB2 H 1.880 . 2 17 3 4 GLU HB3 H 1.880 . 2 18 3 4 GLU C C 175.520 . 1 19 3 4 GLU CA C 56.060 . 1 20 3 4 GLU CB C 30.720 . 1 21 3 4 GLU N N 125.340 . 1 22 4 5 ILE H H 8.170 . 1 23 4 5 ILE CA C 61.130 . 1 24 4 5 ILE CB C 38.180 . 1 25 4 5 ILE N N 124.700 . 1 26 5 6 HIS HA H 4.815 . 1 27 5 6 HIS HB2 H 3.170 . 2 28 5 6 HIS C C 175.130 . 1 29 5 6 HIS CA C 56.060 . 1 30 5 6 HIS CB C 30.570 . 1 31 6 7 GLY H H 8.070 . 1 32 6 7 GLY HA2 H 4.160 . 2 33 6 7 GLY HA3 H 4.020 . 2 34 6 7 GLY C C 172.020 . 1 35 6 7 GLY CA C 45.030 . 1 36 6 7 GLY N N 111.520 . 1 37 7 8 ASP H H 8.170 . 1 38 7 8 ASP HA H 4.850 . 1 39 7 8 ASP HB2 H 2.710 . 2 40 7 8 ASP HB3 H 2.710 . 2 41 7 8 ASP C C 176.470 . 1 42 7 8 ASP CA C 54.950 . 1 43 7 8 ASP CB C 43.170 . 1 44 7 8 ASP N N 116.140 . 1 45 8 9 SER H H 7.880 . 1 46 8 9 SER HA H 5.340 . 1 47 8 9 SER HB2 H 4.020 . 2 48 8 9 SER HB3 H 4.020 . 2 49 8 9 SER C C 173.030 . 1 50 8 9 SER CA C 57.030 . 1 51 8 9 SER CB C 66.350 . 1 52 8 9 SER N N 113.530 . 1 53 9 10 THR H H 8.670 . 1 54 9 10 THR HA H 4.680 . 1 55 9 10 THR HB H 4.160 . 1 56 9 10 THR C C 171.580 . 1 57 9 10 THR CA C 61.650 . 1 58 9 10 THR CB C 69.030 . 1 59 9 10 THR N N 114.100 . 1 60 10 11 LYS H H 8.195 . 1 61 10 11 LYS HA H 5.805 . 1 62 10 11 LYS HB2 H 1.720 . 2 63 10 11 LYS HB3 H 1.720 . 2 64 10 11 LYS C C 175.010 . 1 65 10 11 LYS CA C 55.390 . 1 66 10 11 LYS CB C 36.910 . 1 67 10 11 LYS N N 122.670 . 1 68 11 12 ALA H H 9.235 . 1 69 11 12 ALA HA H 4.760 . 1 70 11 12 ALA HB H 1.390 . 1 71 11 12 ALA C C 175.430 . 1 72 11 12 ALA CA C 51.290 . 1 73 11 12 ALA CB C 23.790 . 1 74 11 12 ALA N N 124.090 . 1 75 12 13 THR H H 8.510 . 1 76 12 13 THR HA H 4.650 . 1 77 12 13 THR HB H 3.890 . 1 78 12 13 THR C C 172.670 . 1 79 12 13 THR CA C 63.670 . 1 80 12 13 THR CB C 69.850 . 1 81 12 13 THR N N 118.390 . 1 82 13 14 LEU H H 9.275 . 1 83 13 14 LEU HA H 4.630 . 1 84 13 14 LEU HB2 H 1.680 . 2 85 13 14 LEU HB3 H 1.120 . 2 86 13 14 LEU C C 173.140 . 1 87 13 14 LEU CA C 53.530 . 1 88 13 14 LEU CB C 45.780 . 1 89 13 14 LEU N N 130.190 . 1 90 14 15 GLU H H 7.985 . 1 91 14 15 GLU HA H 5.060 . 1 92 14 15 GLU C C 175.520 . 1 93 14 15 GLU CA C 53.900 . 1 94 14 15 GLU CB C 32.210 . 1 95 14 15 GLU N N 123.570 . 1 96 15 16 GLU H H 8.100 . 1 97 15 16 GLU HA H 3.830 . 1 98 15 16 GLU HB2 H 1.910 . 2 99 15 16 GLU C C 177.490 . 1 100 15 16 GLU CA C 57.310 . 1 101 15 16 GLU CB C 30.160 . 1 102 15 16 GLU N N 119.490 . 1 103 16 17 GLY H H 9.550 . 1 104 16 17 GLY CA C 45.630 . 1 105 16 17 GLY N N 112.510 . 1 106 17 18 GLN HA H 5.080 . 1 107 17 18 GLN C C 173.150 . 1 108 17 18 GLN CA C 54.450 . 1 109 17 18 GLN CB C 32.370 . 1 110 18 19 GLN H H 8.840 . 1 111 18 19 GLN CA C 53.480 . 1 112 18 19 GLN CB C 32.710 . 1 113 18 19 GLN N N 113.940 . 1 114 19 20 LEU HA H 5.380 . 1 115 19 20 LEU HB2 H 1.825 . 2 116 19 20 LEU HB3 H 1.590 . 2 117 19 20 LEU C C 176.020 . 1 118 19 20 LEU CA C 52.850 . 1 119 19 20 LEU CB C 45.630 . 1 120 20 21 THR H H 9.100 . 1 121 20 21 THR HB H 3.740 . 1 122 20 21 THR C C 173.760 . 1 123 20 21 THR CA C 62.700 . 1 124 20 21 THR CB C 70.670 . 1 125 20 21 THR N N 177.990 . 1 126 21 22 LEU H H 9.980 . 1 127 21 22 LEU C C 175.130 . 1 128 21 22 LEU CA C 53.455 . 1 129 21 22 LEU CB C 45.900 . 1 130 21 22 LEU N N 134.130 . 1 131 22 23 THR H H 8.960 . 1 132 22 23 THR HA H 5.060 . 1 133 22 23 THR HB H 4.145 . 1 134 22 23 THR C C 174.180 . 1 135 22 23 THR CA C 62.700 . 1 136 22 23 THR CB C 68.960 . 1 137 22 23 THR N N 125.780 . 1 138 23 24 PHE H H 8.890 . 1 139 23 24 PHE CA C 56.585 . 1 140 23 24 PHE CB C 42.050 . 1 141 23 24 PHE N N 122.610 . 1 142 24 25 ILE HA H 4.670 . 1 143 24 25 ILE HB H 1.525 . 1 144 24 25 ILE C C 175.230 . 1 145 24 25 ILE CA C 61.210 . 1 146 24 25 ILE CB C 40.490 . 1 147 25 26 SER H H 8.170 . 1 148 25 26 SER HA H 4.680 . 1 149 25 26 SER HB2 H 4.070 . 2 150 25 26 SER HB3 H 3.500 . 2 151 25 26 SER C C 173.700 . 1 152 25 26 SER CA C 56.730 . 1 153 25 26 SER CB C 65.230 . 1 154 25 26 SER N N 118.980 . 1 155 26 27 THR H H 8.100 . 1 156 26 27 THR HA H 4.250 . 1 157 26 27 THR HB H 4.160 . 1 158 26 27 THR C C 175.310 . 1 159 26 27 THR CA C 63.740 . 1 160 26 27 THR CB C 69.480 . 1 161 26 27 THR N N 112.570 . 1 162 27 28 LYS H H 8.030 . 1 163 27 28 LYS HA H 5.060 . 1 164 27 28 LYS HB2 H 1.670 . 2 165 27 28 LYS HB3 H 1.670 . 2 166 27 28 LYS C C 172.930 . 1 167 27 28 LYS CA C 57.930 . 1 168 27 28 LYS CB C 34.140 . 1 169 27 28 LYS N N 121.650 . 1 170 28 29 LEU H H 8.660 . 1 171 28 29 LEU HA H 5.000 . 1 172 28 29 LEU HB2 H 1.480 . 2 173 28 29 LEU C C 173.762 . 1 174 28 29 LEU CA C 53.310 . 1 175 28 29 LEU CB C 45.780 . 1 176 28 29 LEU N N 131.040 . 1 177 29 30 ASP H H 8.900 . 1 178 29 30 ASP HA H 5.290 . 1 179 29 30 ASP HB2 H 2.540 . 2 180 29 30 ASP HB3 H 2.430 . 2 181 29 30 ASP C C 175.220 . 1 182 29 30 ASP CA C 53.600 . 1 183 29 30 ASP CB C 43.990 . 1 184 29 30 ASP N N 126.990 . 1 185 30 31 VAL H H 8.980 . 1 186 30 31 VAL HA H 4.860 . 1 187 30 31 VAL HB H 1.940 . 1 188 30 31 VAL C C 174.090 . 1 189 30 31 VAL CA C 61.130 . 1 190 30 31 VAL CB C 35.200 . 1 191 30 31 VAL N N 123.180 . 1 192 31 32 ALA H H 8.520 . 1 193 31 32 ALA HA H 4.920 . 1 194 31 32 ALA HB H 1.400 . 1 195 31 32 ALA C C 175.505 . 1 196 31 32 ALA CA C 51.220 . 1 197 31 32 ALA CB C 21.260 . 1 198 31 32 ALA N N 129.800 . 1 199 32 33 VAL H H 9.000 . 1 200 32 33 VAL C C 173.430 . 1 201 32 33 VAL CA C 61.360 . 1 202 32 33 VAL CB C 30.870 . 1 203 32 33 VAL N N 124.370 . 1 204 33 34 GLY H H 8.690 . 1 205 33 34 GLY HA2 H 4.310 . 2 206 33 34 GLY HA3 H 3.880 . 2 207 33 34 GLY C C 174.540 . 1 208 33 34 GLY CA C 48.160 . 1 209 33 34 GLY N N 114.340 . 1 210 34 35 SER H H 9.630 . 1 211 34 35 SER HA H 4.726 . 1 212 34 35 SER HB2 H 3.900 . 2 213 34 35 SER HB3 H 3.900 . 2 214 34 35 SER C C 174.800 . 1 215 34 35 SER CA C 56.510 . 1 216 34 35 SER CB C 63.890 . 1 217 34 35 SER N N 123.230 . 1 218 35 36 CYS H H 8.650 . 1 219 35 36 CYS HA H 4.950 . 1 220 35 36 CYS HB2 H 3.700 . 2 221 35 36 CYS C C 174.130 . 1 222 35 36 CYS CA C 57.260 . 1 223 35 36 CYS CB C 50.330 . 1 224 35 36 CYS N N 118.630 . 1 225 36 37 HIS H H 8.060 . 1 226 36 37 HIS HA H 5.170 . 1 227 36 37 HIS HB2 H 2.900 . 2 228 36 37 HIS C C 173.030 . 1 229 36 37 HIS CA C 57.550 . 1 230 36 37 HIS CB C 32.290 . 1 231 36 37 HIS N N 122.790 . 1 232 37 38 SER H H 8.170 . 1 233 37 38 SER HA H 5.186 . 1 234 37 38 SER HB2 H 3.820 . 2 235 37 38 SER HB3 H 3.820 . 2 236 37 38 SER C C 170.690 . 1 237 37 38 SER CA C 57.780 . 1 238 37 38 SER CB C 66.050 . 1 239 37 38 SER N N 123.400 . 1 240 38 39 LEU H H 9.080 . 1 241 38 39 LEU HA H 5.428 . 1 242 38 39 LEU HB2 H 1.960 . 2 243 38 39 LEU HB3 H 1.820 . 2 244 38 39 LEU C C 174.880 . 1 245 38 39 LEU CA C 55.740 . 1 246 38 39 LEU CB C 44.930 . 1 247 38 39 LEU N N 119.280 . 1 248 39 40 VAL H H 9.380 . 1 249 39 40 VAL HA H 5.060 . 1 250 39 40 VAL HB H 2.050 . 1 251 39 40 VAL C C 174.180 . 1 252 39 40 VAL CA C 60.090 . 1 253 39 40 VAL CB C 35.870 . 1 254 39 40 VAL N N 122.130 . 1 255 40 41 ALA H H 9.225 . 1 256 40 41 ALA HA H 4.740 . 1 257 40 41 ALA HB H 1.126 . 1 258 40 41 ALA C C 173.790 . 1 259 40 41 ALA CA C 50.600 . 1 260 40 41 ALA CB C 19.690 . 1 261 40 41 ALA N N 130.220 . 1 262 41 42 ASN H H 8.680 . 1 263 41 42 ASN HA H 4.750 . 1 264 41 42 ASN HB2 H 1.910 . 2 265 41 42 ASN HB3 H 1.770 . 2 266 41 42 ASN C C 175.030 . 1 267 41 42 ASN CA C 51.220 . 1 268 41 42 ASN CB C 38.400 . 1 269 41 42 ASN N N 121.750 . 1 270 42 43 PHE H H 8.300 . 1 271 42 43 PHE HA H 4.130 . 1 272 42 43 PHE HB2 H 3.170 . 2 273 42 43 PHE HB3 H 3.020 . 2 274 42 43 PHE C C 176.150 . 1 275 42 43 PHE CA C 59.530 . 1 276 42 43 PHE CB C 38.900 . 1 277 42 43 PHE N N 123.370 . 1 278 43 44 LEU H H 7.985 . 1 279 43 44 LEU HA H 4.260 . 1 280 43 44 LEU HB2 H 1.710 . 2 281 43 44 LEU HB3 H 1.690 . 2 282 43 44 LEU C C 177.830 . 1 283 43 44 LEU CA C 57.630 . 1 284 43 44 LEU CB C 42.050 . 1 285 43 44 LEU N N 121.640 . 1 286 44 45 ASP H H 7.620 . 1 287 44 45 ASP HA H 4.690 . 1 288 44 45 ASP HB2 H 2.850 . 2 289 44 45 ASP HB3 H 2.000 . 2 290 44 45 ASP C C 176.880 . 1 291 44 45 ASP CA C 54.950 . 1 292 44 45 ASP CB C 42.350 . 1 293 44 45 ASP N N 116.020 . 1 294 45 46 GLY H H 7.250 . 1 295 45 46 GLY HA2 H 4.150 . 2 296 45 46 GLY HA3 H 3.530 . 2 297 45 46 GLY C C 174.490 . 1 298 45 46 GLY CA C 48.010 . 1 299 45 46 GLY N N 107.760 . 1 300 46 47 PHE H H 8.320 . 1 301 46 47 PHE HA H 5.340 . 1 302 46 47 PHE HB2 H 2.900 . 2 303 46 47 PHE HB3 H 2.770 . 2 304 46 47 PHE C C 171.590 . 1 305 46 47 PHE CA C 57.030 . 1 306 46 47 PHE CB C 41.580 . 1 307 46 47 PHE N N 116.640 . 1 308 47 48 LEU H H 9.190 . 1 309 47 48 LEU HA H 5.420 . 1 310 47 48 LEU HB2 H 1.870 . 2 311 47 48 LEU HB3 H 1.160 . 2 312 47 48 LEU C C 174.370 . 1 313 47 48 LEU CA C 53.900 . 1 314 47 48 LEU CB C 44.590 . 1 315 47 48 LEU N N 122.880 . 1 316 48 49 LYS H H 9.270 . 1 317 48 49 LYS HA H 5.660 . 1 318 48 49 LYS HB2 H 1.730 . 2 319 48 49 LYS HB3 H 1.620 . 2 320 48 49 LYS C C 174.800 . 1 321 48 49 LYS CA C 54.370 . 1 322 48 49 LYS CB C 36.730 . 1 323 48 49 LYS N N 127.200 . 1 324 49 50 PHE H H 8.670 . 1 325 49 50 PHE HA H 5.380 . 1 326 49 50 PHE HB2 H 2.720 . 2 327 49 50 PHE HB3 H 2.720 . 2 328 49 50 PHE C C 173.770 . 1 329 49 50 PHE CA C 55.570 . 1 330 49 50 PHE CB C 42.200 . 1 331 49 50 PHE N N 122.360 . 1 332 50 51 GLN H H 8.580 . 1 333 50 51 GLN C C 173.660 . 1 334 50 51 GLN CA C 55.050 . 1 335 50 51 GLN CB C 32.720 . 1 336 50 51 GLN N N 121.080 . 1 337 51 52 THR H H 8.870 . 1 338 51 52 THR HA H 4.795 . 1 339 51 52 THR HB H 4.150 . 1 340 51 52 THR C C 174.690 . 1 341 51 52 THR CA C 62.250 . 1 342 51 52 THR CB C 70.080 . 1 343 51 52 THR N N 120.080 . 1 344 52 53 GLY H H 8.140 . 1 345 52 53 GLY CA C 46.080 . 1 346 52 53 GLY N N 114.110 . 1 347 55 56 SER HA H 4.310 . 1 348 55 56 SER HB2 H 3.840 . 2 349 55 56 SER HB3 H 3.840 . 2 350 55 56 SER C C 173.880 . 1 351 55 56 SER CA C 58.040 . 1 352 55 56 SER CB C 63.760 . 1 353 56 57 ALA H H 7.900 . 1 354 56 57 ALA HA H 4.280 . 1 355 56 57 ALA HB H 1.220 . 1 356 56 57 ALA C C 175.710 . 1 357 56 57 ALA CA C 51.980 . 1 358 56 57 ALA CB C 19.830 . 1 359 56 57 ALA N N 124.840 . 1 360 57 58 PHE H H 7.630 . 1 361 57 58 PHE HA H 4.890 . 1 362 57 58 PHE HB2 H 2.750 . 2 363 57 58 PHE HB3 H 2.620 . 2 364 57 58 PHE C C 174.300 . 1 365 57 58 PHE CA C 56.320 . 1 366 57 58 PHE CB C 41.460 . 1 367 57 58 PHE N N 116.610 . 1 368 58 59 ASP H H 8.150 . 1 369 58 59 ASP HA H 4.730 . 1 370 58 59 ASP HB2 H 1.770 . 2 371 58 59 ASP HB3 H 1.770 . 2 372 58 59 ASP C C 173.410 . 1 373 58 59 ASP CA C 53.380 . 1 374 58 59 ASP CB C 46.390 . 1 375 58 59 ASP N N 119.700 . 1 376 59 60 VAL H H 8.340 . 1 377 59 60 VAL CA C 59.830 . 1 378 59 60 VAL CB C 36.000 . 1 379 59 60 VAL N N 116.40 . 1 380 65 66 PRO HA H 4.620 . 1 381 65 66 PRO HB2 H 1.120 . 2 382 65 66 PRO C C 177.580 . 1 383 65 66 PRO CA C 63.260 . 1 384 65 66 PRO CB C 31.900 . 1 385 66 67 ALA H H 8.670 . 1 386 66 67 ALA HA H 4.330 . 1 387 66 67 ALA HB H 1.120 . 1 388 66 67 ALA C C 176.760 . 1 389 66 67 ALA CA C 52.360 . 1 390 66 67 ALA CB C 20.520 . 1 391 66 67 ALA N N 122.800 . 1 392 67 68 GLY H H 9.050 . 1 393 67 68 GLY CA C 46.130 . 1 394 67 68 GLY N N 108.020 . 1 395 68 69 PRO HA H 4.330 . 1 396 68 69 PRO HB2 H 1.950 . 2 397 68 69 PRO C C 176.330 . 1 398 68 69 PRO CA C 64.000 . 1 399 68 69 PRO CB C 31.990 . 1 400 69 70 ALA H H 8.540 . 1 401 69 70 ALA HA H 4.940 . 1 402 69 70 ALA HB H 1.010 . 1 403 69 70 ALA C C 176.150 . 1 404 69 70 ALA CA C 51.810 . 1 405 69 70 ALA CB C 23.390 . 1 406 69 70 ALA N N 127.700 . 1 407 70 71 VAL H H 9.200 . 1 408 70 71 VAL HA H 5.290 . 1 409 70 71 VAL HB H 2.060 . 1 410 70 71 VAL C C 175.420 . 1 411 70 71 VAL CA C 61.680 . 1 412 70 71 VAL CB C 35.810 . 1 413 70 71 VAL N N 118.250 . 1 414 71 72 LEU H H 9.800 . 1 415 71 72 LEU HA H 5.850 . 1 416 71 72 LEU C C 175.220 . 1 417 71 72 LEU CA C 52.930 . 1 418 71 72 LEU CB C 47.210 . 1 419 71 72 LEU N N 130.990 . 1 420 72 73 THR H H 9.810 . 1 421 72 73 THR C C 173.340 . 1 422 72 73 THR CA C 61.390 . 1 423 72 73 THR CB C 70.360 . 1 424 72 73 THR N N 125.490 . 1 425 73 74 ILE H H 8.970 . 1 426 73 74 ILE HA H 4.880 . 1 427 73 74 ILE HB H 1.660 . 1 428 73 74 ILE C C 174.480 . 1 429 73 74 ILE CA C 59.890 . 1 430 73 74 ILE CB C 42.020 . 1 431 73 74 ILE N N 123.850 . 1 432 74 75 GLY H H 9.990 . 1 433 74 75 GLY C C 169.970 . 1 434 74 75 GLY CA C 44.860 . 1 435 74 75 GLY N N 114.310 . 1 436 75 76 LEU H H 7.860 . 1 437 75 76 LEU HA H 4.990 . 1 438 75 76 LEU HB2 H 1.880 . 2 439 75 76 LEU HB3 H 0.910 . 2 440 75 76 LEU C C 174.610 . 1 441 75 76 LEU CA C 53.460 . 1 442 75 76 LEU CB C 44.110 . 1 443 75 76 LEU N N 125.240 . 1 444 76 77 GLY H H 9.180 . 1 445 76 77 GLY HA2 H 4.400 . 2 446 76 77 GLY HA3 H 3.260 . 2 447 76 77 GLY C C 172.260 . 1 448 76 77 GLY CA C 43.550 . 1 449 76 77 GLY N N 113.580 . 1 450 77 78 HIS H H 8.190 . 1 451 77 78 HIS HA H 4.390 . 1 452 77 78 HIS HB2 H 3.070 . 2 453 77 78 HIS HB3 H 2.950 . 2 454 77 78 HIS C C 176.180 . 1 455 77 78 HIS CA C 56.820 . 1 456 77 78 HIS CB C 30.650 . 1 457 77 78 HIS N N 117.380 . 1 458 78 79 LYS H H 8.890 . 1 459 78 79 LYS HA H 3.730 . 1 460 78 79 LYS HB2 H 1.980 . 2 461 78 79 LYS HB3 H 1.580 . 2 462 78 79 LYS C C 176.670 . 1 463 78 79 LYS CA C 57.050 . 1 464 78 79 LYS CB C 30.130 . 1 465 78 79 LYS N N 121.020 . 1 466 79 80 GLY H H 8.290 . 1 467 79 80 GLY HA2 H 4.140 . 2 468 79 80 GLY HA3 H 3.320 . 2 469 79 80 GLY C C 175.090 . 1 470 79 80 GLY CA C 46.130 . 1 471 79 80 GLY N N 104.670 . 1 472 80 81 ARG H H 7.060 . 1 473 80 81 ARG HA H 4.490 . 1 474 80 81 ARG C C 173.260 . 1 475 80 81 ARG CA C 57.570 . 1 476 80 81 ARG CB C 30.720 . 1 477 80 81 ARG N N 125.060 . 1 478 81 82 LEU H H 8.410 . 1 479 81 82 LEU HA H 5.020 . 1 480 81 82 LEU HB2 H 1.120 . 2 481 81 82 LEU C C 173.270 . 1 482 81 82 LEU CA C 53.920 . 1 483 81 82 LEU CB C 46.650 . 1 484 81 82 LEU N N 130.470 . 1 485 82 83 ALA H H 8.790 . 1 486 82 83 ALA HA H 5.190 . 1 487 82 83 ALA HB H 1.030 . 1 488 82 83 ALA C C 174.400 . 1 489 82 83 ALA CA C 50.240 . 1 490 82 83 ALA CB C 22.350 . 1 491 82 83 ALA N N 128.650 . 1 492 83 84 VAL H H 8.440 . 1 493 83 84 VAL HA H 4.780 . 1 494 83 84 VAL HB H 0.100 . 1 495 83 84 VAL C C 174.160 . 1 496 83 84 VAL CA C 60.640 . 1 497 83 84 VAL CB C 34.840 . 1 498 83 84 VAL N N 122.940 . 1 499 84 85 VAL H H 8.930 . 1 500 84 85 VAL HA H 4.430 . 1 501 84 85 VAL HB H 1.815 . 1 502 84 85 VAL C C 174.490 . 1 503 84 85 VAL CA C 61.180 . 1 504 84 85 VAL CB C 35.780 . 1 505 84 85 VAL N N 123.190 . 1 506 85 86 LEU H H 9.440 . 1 507 85 86 LEU HA H 5.420 . 1 508 85 86 LEU HB2 H 1.160 . 2 509 85 86 LEU C C 173.760 . 1 510 85 86 LEU CA C 53.910 . 1 511 85 86 LEU CB C 45.140 . 1 512 85 86 LEU N N 128.650 . 1 513 86 87 ASP H H 9.250 . 1 514 86 87 ASP CA C 54.430 . 1 515 86 87 ASP CB C 43.970 . 1 516 86 87 ASP N N 127.140 . 1 517 88 89 THR HA H 4.310 . 1 518 88 89 THR HB H 3.880 . 1 519 88 89 THR C C 175.110 . 1 520 89 90 ARG H H 9.050 . 1 521 89 90 ARG HA H 5.135 . 1 522 89 90 ARG C C 178.610 . 1 523 89 90 ARG CA C 56.490 . 1 524 89 90 ARG CB C 33.720 . 1 525 89 90 ARG N N 127.540 . 1 526 90 91 LEU H H 8.790 . 1 527 90 91 LEU HA H 3.990 . 1 528 90 91 LEU HB2 H 1.750 . 2 529 90 91 LEU C C 177.220 . 1 530 90 91 LEU CA C 57.600 . 1 531 90 91 LEU CB C 42.200 . 1 532 90 91 LEU N N 122.030 . 1 533 91 92 ASN H H 8.070 . 1 534 91 92 ASN HA H 4.520 . 1 535 91 92 ASN HB2 H 3.070 . 2 536 91 92 ASN HB3 H 2.800 . 2 537 91 92 ASN C C 175.340 . 1 538 91 92 ASN CA C 53.100 . 1 539 91 92 ASN CB C 37.330 . 1 540 91 92 ASN N N 116.010 . 1 541 92 93 ALA H H 8.000 . 1 542 92 93 ALA HA H 3.950 . 1 543 92 93 ALA HB H 1.440 . 1 544 92 93 ALA C C 175.820 . 1 545 92 93 ALA CA C 53.690 . 1 546 92 93 ALA CB C 18.170 . 1 547 92 93 ALA N N 117.000 . 1 548 93 94 ALA H H 7.740 . 1 549 93 94 ALA HA H 4.420 . 1 550 93 94 ALA HB H 1.350 . 1 551 93 94 ALA C C 175.500 . 1 552 93 94 ALA CA C 51.760 . 1 553 93 94 ALA CB C 20.210 . 1 554 93 94 ALA N N 121.500 . 1 555 94 95 LEU H H 7.915 . 1 556 94 95 LEU HA H 4.590 . 1 557 94 95 LEU HB2 H 1.360 . 2 558 94 95 LEU HB3 H 1.360 . 2 559 94 95 LEU C C 177.190 . 1 560 94 95 LEU CA C 54.540 . 1 561 94 95 LEU CB C 44.070 . 1 562 94 95 LEU N N 119.750 . 1 563 95 96 GLY H H 8.740 . 1 564 95 96 GLY HA2 H 4.390 . 2 565 95 96 GLY HA3 H 2.400 . 2 566 95 96 GLY C C 172.010 . 1 567 95 96 GLY CA C 43.580 . 1 568 95 96 GLY N N 122.200 . 1 569 96 97 SER H H 8.280 . 1 570 96 97 SER HA H 5.720 . 1 571 96 97 SER HB2 H 3.870 . 2 572 96 97 SER HB3 H 3.550 . 2 573 96 97 SER C C 173.500 . 1 574 96 97 SER CA C 58.630 . 1 575 96 97 SER CB C 65.860 . 1 576 96 97 SER N N 115.630 . 1 577 97 98 ALA H H 9.100 . 1 578 97 98 ALA HA H 5.250 . 1 579 97 98 ALA HB H 1.540 . 1 580 97 98 ALA C C 174.490 . 1 581 97 98 ALA CA C 50.811 . 1 582 97 98 ALA CB C 22.330 . 1 583 97 98 ALA N N 131.070 . 1 584 98 99 ALA H H 9.120 . 1 585 98 99 ALA HA H 5.350 . 1 586 98 99 ALA HB H 1.220 . 1 587 98 99 ALA C C 174.490 . 1 588 98 99 ALA CA C 51.250 . 1 589 98 99 ALA CB C 27.070 . 1 590 98 99 ALA N N 121.400 . 1 591 99 100 TYR H H 9.070 . 1 592 99 100 TYR CA C 56.037 . 1 593 99 100 TYR CB C 42.010 . 1 594 99 100 TYR N N 115.960 . 1 595 100 101 VAL HA H 5.200 . 1 596 100 101 VAL HB H 1.770 . 1 597 100 101 VAL C C 174.250 . 1 598 100 101 VAL CA C 60.160 . 1 599 100 101 VAL CB C 35.760 . 1 600 101 102 VAL H H 9.160 . 1 601 101 102 VAL CA C 60.420 . 1 602 101 102 VAL CB C 35.950 . 1 603 101 102 VAL N N 125.200 . 1 604 102 103 GLU HA H 4.100 . 1 605 102 103 GLU HB2 H 1.950 . 2 606 102 103 GLU HB3 H 1.680 . 2 607 102 103 GLU C C 176.210 . 1 608 102 103 GLU CA C 58.110 . 1 609 102 103 GLU CB C 30.060 . 1 610 103 104 ASP H H 8.770 . 1 611 103 104 ASP HA H 4.650 . 1 612 103 104 ASP HB2 H 2.760 . 2 613 103 104 ASP HB3 H 2.530 . 2 614 103 104 ASP C C 175.830 . 1 615 103 104 ASP CA C 53.230 . 1 616 103 104 ASP CB C 40.640 . 1 617 103 104 ASP N N 117.770 . 1 618 104 105 SER H H 7.680 . 1 619 104 105 SER HA H 4.090 . 1 620 104 105 SER HB2 H 3.780 . 2 621 104 105 SER HB3 H 4.026 . 2 622 104 105 SER C C 174.920 . 1 623 104 105 SER CA C 60.740 . 1 624 104 105 SER CB C 65.310 . 1 625 104 105 SER N N 115.220 . 1 626 105 106 GLY H H 8.630 . 1 627 105 106 GLY CA C 45.643 . 1 628 105 106 GLY N N 108.660 . 1 629 106 107 CYS C C 174.054 . 1 630 107 108 SER H H 10.094 . 1 631 107 108 SER HA H 4.535 . 1 632 107 108 SER HB2 H 4.162 . 2 633 107 108 SER HB3 H 4.025 . 2 634 107 108 SER C C 172.515 . 1 635 107 108 SER CA C 58.075 . 1 636 107 108 SER CB C 64.260 . 1 637 107 108 SER N N 122.040 . 1 638 108 109 SER H H 7.960 . 1 639 108 109 SER HA H 4.300 . 1 640 108 109 SER HB2 H 4.025 . 2 641 108 109 SER HB3 H 3.950 . 2 642 108 109 SER C C 174.440 . 1 643 108 109 SER CA C 59.790 . 1 644 108 109 SER CB C 63.950 . 1 645 108 109 SER N N 110.350 . 1 646 109 110 SER H H 7.660 . 1 647 109 110 SER HA H 4.985 . 1 648 109 110 SER HB2 H 3.600 . 2 649 109 110 SER HB3 H 3.550 . 2 650 109 110 SER C C 173.450 . 1 651 109 110 SER CA C 58.112 . 1 652 109 110 SER CB C 63.821 . 1 653 109 110 SER N N 116.030 . 1 654 110 111 GLU H H 8.955 . 1 655 110 111 GLU HA H 4.795 . 1 656 110 111 GLU C C 174.690 . 1 657 110 111 GLU CA C 58.830 . 1 658 110 111 GLU CB C 34.600 . 1 659 110 111 GLU N N 123.600 . 1 660 111 112 GLU H H 8.950 . 1 661 111 112 GLU HA H 4.535 . 1 662 111 112 GLU HB2 H 1.930 . 2 663 111 112 GLU HB3 H 1.930 . 2 664 111 112 GLU C C 175.685 . 1 665 111 112 GLU CA C 56.140 . 1 666 111 112 GLU CB C 30.870 . 1 667 111 112 GLU N N 121.900 . 1 668 112 113 VAL H H 9.555 . 1 669 112 113 VAL HA H 4.875 . 1 670 112 113 VAL HB H 1.905 . 1 671 112 113 VAL C C 174.755 . 1 672 112 113 VAL CA C 60.980 . 1 673 112 113 VAL CB C 32.510 . 1 674 112 113 VAL N N 130.845 . 1 675 113 114 SER H H 9.000 . 1 676 113 114 SER HA H 5.095 . 1 677 113 114 SER HB2 H 3.795 . 2 678 113 114 SER HB3 H 3.795 . 2 679 113 114 SER C C 173.100 . 1 680 113 114 SER CA C 57.330 . 1 681 113 114 SER CB C 65.315 . 1 682 113 114 SER N N 120.650 . 1 683 114 115 PHE H H 8.885 . 1 684 114 115 PHE HA H 5.100 . 1 685 114 115 PHE HB2 H 3.180 . 2 686 114 115 PHE HB3 H 2.520 . 2 687 114 115 PHE C C 175.115 . 1 688 114 115 PHE CA C 56.255 . 1 689 114 115 PHE CB C 41.900 . 1 690 114 115 PHE N N 122.150 . 1 691 115 116 GLN H H 9.200 . 1 692 115 116 GLN HA H 4.830 . 1 693 115 116 GLN HB2 H 2.050 . 2 694 115 116 GLN HB3 H 2.050 . 2 695 115 116 GLN C C 174.290 . 1 696 115 116 GLN CA C 59.900 . 1 697 115 116 GLN CB C 32.215 . 1 698 115 116 GLN N N 122.300 . 1 699 116 117 GLY H H 8.520 . 1 700 116 117 GLY HA2 H 4.720 . 2 701 116 117 GLY HA3 H 4.210 . 2 702 116 117 GLY C C 175.114 . 1 703 116 117 GLY CA C 46.080 . 1 704 116 117 GLY N N 144.450 . 1 705 117 118 VAL H H 7.665 . 1 706 117 118 VAL HA H 3.790 . 1 707 117 118 VAL HB H 2.050 . 1 708 117 118 VAL C C 175.115 . 1 709 117 118 VAL CA C 62.550 . 1 710 117 118 VAL CB C 31.470 . 1 711 117 118 VAL N N 111.730 . 1 712 118 119 GLY H H 8.255 . 1 713 118 119 GLY HA2 H 4.440 . 2 714 118 119 GLY HA3 H 3.850 . 2 715 118 119 GLY C C 173.960 . 1 716 118 119 GLY CA C 45.100 . 1 717 118 119 GLY N N 106.990 . 1 718 119 120 SER H H 8.550 . 1 719 119 120 SER HA H 4.630 . 1 720 119 120 SER HB2 H 3.790 . 2 721 119 120 SER HB3 H 3.790 . 2 722 119 120 SER C C 176.255 . 1 723 119 120 SER CA C 58.600 . 1 724 119 120 SER CB C 64.420 . 1 725 119 120 SER N N 115.620 . 1 726 120 121 GLY H H 8.900 . 1 727 120 121 GLY HA2 H 4.020 . 2 728 120 121 GLY HA3 H 3.780 . 2 729 120 121 GLY C C 174.210 . 1 730 120 121 GLY CA C 46.160 . 1 731 120 121 GLY N N 115.175 . 1 732 121 122 ALA H H 8.155 . 1 733 121 122 ALA HA H 4.775 . 1 734 121 122 ALA HB H 1.450 . 1 735 121 122 ALA C C 177.800 . 1 736 121 122 ALA CA C 53.070 . 1 737 121 122 ALA CB C 20.345 . 1 738 121 122 ALA N N 123.850 . 1 739 122 123 THR H H 8.345 . 1 740 122 123 THR HA H 5.010 . 1 741 122 123 THR HB H 3.974 . 1 742 122 123 THR C C 172.410 . 1 743 122 123 THR CA C 60.160 . 1 744 122 123 THR CB C 72.610 . 1 745 122 123 THR N N 110.010 . 1 746 123 124 LEU H H 8.740 . 1 747 123 124 LEU HA H 5.370 . 1 748 123 124 LEU C C 174.880 . 1 749 123 124 LEU CA C 53.900 . 1 750 123 124 LEU CB C 47.180 . 1 751 123 124 LEU N N 124.700 . 1 752 124 125 VAL H H 8.750 . 1 753 124 125 VAL HA H 4.825 . 1 754 124 125 VAL HB H 1.960 . 1 755 124 125 VAL C C 174.380 . 1 756 124 125 VAL CA C 60.690 . 1 757 124 125 VAL CB C 35.790 . 1 758 124 125 VAL N N 124.900 . 1 759 125 126 VAL H H 8.550 . 1 760 125 126 VAL HA H 5.100 . 1 761 125 126 VAL HB H 1.965 . 1 762 125 126 VAL C C 175.880 . 1 763 125 126 VAL CA C 61.210 . 1 764 125 126 VAL CB C 33.705 . 1 765 125 126 VAL N N 128.030 . 1 766 126 127 THR H H 8.935 . 1 767 126 127 THR HA H 4.785 . 1 768 126 127 THR HB H 4.340 . 1 769 126 127 THR C C 173.540 . 1 770 126 127 THR CA C 59.640 . 1 771 126 127 THR CB C 72.610 . 1 772 126 127 THR N N 118.755 . 1 773 127 128 THR H H 8.295 . 1 774 127 128 THR HA H 4.305 . 1 775 127 128 THR HB H 3.970 . 1 776 127 128 THR C C 173.540 . 1 777 127 128 THR CA C 63.740 . 1 778 127 128 THR CB C 69.550 . 1 779 127 128 THR N N 115.950 . 1 780 128 129 LEU H H 8.080 . 1 781 128 129 LEU HA H 3.930 . 1 782 128 129 LEU C C 177.310 . 1 783 128 129 LEU CA C 56.440 . 1 784 128 129 LEU CB C 42.050 . 1 785 128 129 LEU N N 126.295 . 1 786 129 130 GLY H H 8.650 . 1 787 129 130 GLY HA2 H 3.835 . 2 788 129 130 GLY HA3 H 3.700 . 2 789 129 130 GLY C C 174.080 . 1 790 129 130 GLY CA C 44.590 . 1 791 129 130 GLY N N 114.930 . 1 792 130 131 GLU H H 7.860 . 1 793 130 131 GLU HA H 4.350 . 1 794 130 131 GLU HB2 H 2.040 . 2 795 130 131 GLU HB3 H 1.870 . 2 796 130 131 GLU C C 175.310 . 1 797 130 131 GLU CA C 55.390 . 1 798 130 131 GLU CB C 30.720 . 1 799 130 131 GLU N N 121.840 . 1 800 131 132 SER H H 8.430 . 1 801 131 132 SER CA C 56.510 . 1 802 131 132 SER CB C 63.670 . 1 803 131 132 SER N N 120.040 . 1 804 132 133 PRO HA H 4.440 . 1 805 132 133 PRO HB2 H 2.244 . 2 806 132 133 PRO HB3 H 1.910 . 2 807 132 133 PRO C C 176.980 . 1 808 132 133 PRO CA C 63.740 . 1 809 132 133 PRO CB C 32.140 . 1 810 133 134 THR H H 7.870 . 1 811 133 134 THR HA H 4.157 . 1 812 133 134 THR HB H 4.157 . 1 813 133 134 THR C C 174.510 . 1 814 133 134 THR CA C 62.190 . 1 815 133 134 THR CB C 69.490 . 1 816 133 134 THR N N 113.520 . 1 817 134 135 ALA H H 8.060 . 1 818 134 135 ALA HA H 4.240 . 1 819 134 135 ALA HB H 1.325 . 1 820 134 135 ALA C C 177.790 . 1 821 134 135 ALA CA C 53.080 . 1 822 134 135 ALA CB C 19.250 . 1 823 134 135 ALA N N 125.645 . 1 824 135 136 VAL H H 7.860 . 1 825 135 136 VAL HA H 3.980 . 1 826 135 136 VAL HB H 2.000 . 1 827 135 136 VAL C C 176.360 . 1 828 135 136 VAL CA C 62.770 . 1 829 135 136 VAL CB C 32.660 . 1 830 135 136 VAL N N 117.670 . 1 831 136 137 SER H H 8.130 . 1 832 136 137 SER HA H 4.326 . 1 833 136 137 SER HB2 H 3.790 . 2 834 136 137 SER HB3 H 3.790 . 2 835 136 137 SER C C 174.590 . 1 836 136 137 SER CA C 58.670 . 1 837 136 137 SER CB C 63.590 . 1 838 136 137 SER N N 118.210 . 1 839 137 138 ALA CA C 52.710 . 1 840 137 138 ALA CB C 19.320 . 1 stop_ save_