data_6376 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete resonance assignment of the C-terminal domain from TgMIC1 ; _BMRB_accession_number 6376 _BMRB_flat_file_name bmr6376.str _Entry_type original _Submission_date 2004-11-04 _Accession_date 2004-11-04 _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 Chen 'Ho An' . . 3 Cota Ernesto . . 4 Edwards-Jones Bryn . . 5 Simpson Peter . . 6 Soldati-Favre Dominique . . 7 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" 645 "13C chemical shifts" 550 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-03-18 original BMRB . stop_ _Original_release_date 2004-11-04 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Complete resonance assignments of the C-terminal domain from MIC1: A micronemal protein from Toxoplasma gondii ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saouros Savvas . . 2 Chen 'Ho An' . . 3 Simpson Peter . . 4 Cota Ernesto . . 5 Edwards-Jones Bryn . . 6 Soldati-Favre Dominique . . 7 Matthews Stephen . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 177 _Page_last 178 _Year 2005 _Details . loop_ _Keyword MIC1 Microneme NMR 'Toxoplasma gondii' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_TgMIC1-CT _Saveframe_category molecular_system _Mol_system_name TgMIC1-CT _Abbreviation_common TgMIC1-CT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TgMIC1-CT $micronemal_protein stop_ _System_molecular_weight 14020 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details 'C-terminal region of micronemal protein 1 from the parasite Toxoplasma gondii.' save_ ######################## # Monomeric polymers # ######################## save_micronemal_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TgMIC1-CT _Abbreviation_common TgMIC1-CT _Molecular_mass 14020 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; KTEIHGDSTKATLEEGQQLT LTFISTKLDVAVGSCHSLVA NFLDGFLKFQTGSNSAFDVV EVEEPAGPAVLTIGLGHKGR LAVVLDYTRLNAALGSAAYV VEDSGCSSSEEVSFQGVGSG ATLVVTTLGESPTAVSA ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 THR 3 GLU 4 ILE 5 HIS 6 GLY 7 ASP 8 SER 9 THR 10 LYS 11 ALA 12 THR 13 LEU 14 GLU 15 GLU 16 GLY 17 GLN 18 GLN 19 LEU 20 THR 21 LEU 22 THR 23 PHE 24 ILE 25 SER 26 THR 27 LYS 28 LEU 29 ASP 30 VAL 31 ALA 32 VAL 33 GLY 34 SER 35 CYS 36 HIS 37 SER 38 LEU 39 VAL 40 ALA 41 ASN 42 PHE 43 LEU 44 ASP 45 GLY 46 PHE 47 LEU 48 LYS 49 PHE 50 GLN 51 THR 52 GLY 53 SER 54 ASN 55 SER 56 ALA 57 PHE 58 ASP 59 VAL 60 VAL 61 GLU 62 VAL 63 GLU 64 GLU 65 PRO 66 ALA 67 GLY 68 PRO 69 ALA 70 VAL 71 LEU 72 THR 73 ILE 74 GLY 75 LEU 76 GLY 77 HIS 78 LYS 79 GLY 80 ARG 81 LEU 82 ALA 83 VAL 84 VAL 85 LEU 86 ASP 87 TYR 88 THR 89 ARG 90 LEU 91 ASN 92 ALA 93 ALA 94 LEU 95 GLY 96 SER 97 ALA 98 ALA 99 TYR 100 VAL 101 VAL 102 GLU 103 ASP 104 SER 105 GLY 106 CYS 107 SER 108 SER 109 SER 110 GLU 111 GLU 112 VAL 113 SER 114 PHE 115 GLN 116 GLY 117 VAL 118 GLY 119 SER 120 GLY 121 ALA 122 THR 123 LEU 124 VAL 125 VAL 126 THR 127 THR 128 LEU 129 GLY 130 GLU 131 SER 132 PRO 133 THR 134 ALA 135 VAL 136 SER 137 ALA stop_ _Sequence_homology_query_date 2010-09-19 _Sequence_homology_query_revised_last_date 2010-05-29 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 15685 Microneme_Protein_6 100.00 138 100.00 100.00 2.39e-71 BMRB 15692 TgMIC1-CT 100.00 138 100.00 100.00 2.39e-71 PDB 2BVB 'The C-Terminal Domain From Micronemal Protein 1 (Mic1) From Toxoplasma Gondii' 100.00 137 100.00 100.00 3.28e-71 PDB 2K2S 'Structure Of The Mic1-GldMIC6-Egf Complex From Toxoplasma Gondii' 99.27 136 100.00 100.00 1.36e-70 EMBL CAA96466 'microneme [Toxoplasma gondii]' 100.00 456 100.00 100.00 3.09e-71 GB EEB01391 'microneme protein MIC1 [Toxoplasma gondii ME49]' 100.00 456 100.00 100.00 3.25e-71 GB EEE22493 'microneme protein, putative [Toxoplasma gondii GT1]' 100.00 456 100.00 100.00 3.09e-71 GB EEE31467 'microneme protein, putative [Toxoplasma gondii VEG]' 100.00 456 100.00 100.00 3.25e-71 REF XP_002368531 'microneme protein MIC1 [Toxoplasma gondii ME49]' 100.00 456 100.00 100.00 3.25e-71 SP O00834 'RecName: Full=Micronemal protein 1; Flags: Precursor' 100.00 456 100.00 100.00 3.09e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $micronemal_protein '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 $micronemal_protein 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $micronemal_protein 0.5 mM 0.4 0.6 '[U-95% 13C; U-95% 15N]' 'Sodium Chloride' 150 mM 145 155 . 'sodium phosphate' 20 mM 19 21 . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRView _Version 4.1.3 _Details . save_ save_software_2 _Saveframe_category software _Name XWIN-NMR _Version . _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer_with_cryoprobe _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details ; 500MHz four-channel Bruker DRX500 spectrometer with a z-shield gradient triple resonance cryoprobe. ; save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HBHA(CBCACO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _Sample_label . save_ save_(H)CC(CO)NH_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '(H)CC(CO)NH TOCSY' _Sample_label . save_ save_HCCH_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 pH temperature 308 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N HSQC' HNCACB CBCA(CO)NH HN(CA)CO HNCO HBHA(CBCACO)NH '(H)CC(CO)NH TOCSY' 'HCCH TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _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 LYS CA C 56.500 1.00 1 2 . 1 LYS HA H 4.808 0.05 1 3 . 1 LYS CB C 34.580 1.00 1 4 . 1 LYS HB2 H 1.730 0.05 2 5 . 1 LYS CG C 26.300 1.00 1 6 . 1 LYS HG2 H 1.290 0.05 2 7 . 1 LYS CD C 30.600 1.00 1 8 . 1 LYS HD2 H 1.630 0.05 2 9 . 1 LYS CE C 42.430 1.00 1 10 . 1 LYS HE3 H 2.875 0.05 2 11 . 1 LYS HE2 H 2.900 0.05 2 12 . 1 LYS C C 175.720 1.00 1 13 . 2 THR N N 119.400 0.25 1 14 . 2 THR H H 8.770 0.05 1 15 . 2 THR CA C 62.180 1.00 1 16 . 2 THR HA H 4.490 0.05 1 17 . 2 THR CB C 71.180 1.00 1 18 . 2 THR HB H 4.048 0.05 1 19 . 2 THR CG2 C 22.300 1.00 1 20 . 2 THR HG2 H 1.145 0.05 1 21 . 2 THR C C 173.480 1.00 1 22 . 3 GLU N N 125.315 0.25 1 23 . 3 GLU H H 8.432 0.05 1 24 . 3 GLU CA C 56.490 1.00 1 25 . 3 GLU HA H 4.416 0.05 1 26 . 3 GLU CB C 31.120 1.00 1 27 . 3 GLU HB3 H 1.845 0.05 1 28 . 3 GLU HB2 H 1.845 0.05 1 29 . 3 GLU CG C 37.100 1.00 1 30 . 3 GLU HG3 H 2.050 0.05 2 31 . 3 GLU HG2 H 2.170 0.05 2 32 . 3 GLU C C 175.503 1.00 1 33 . 4 ILE N N 124.570 0.25 1 34 . 4 ILE H H 8.114 0.05 1 35 . 4 ILE CA C 61.140 1.00 1 36 . 4 ILE CB C 38.550 1.00 1 37 . 4 ILE C C 175.810 1.00 1 38 . 5 HIS CA C 56.490 1.00 1 39 . 5 HIS HA H 4.804 0.05 1 40 . 5 HIS CB C 31.130 1.00 1 41 . 5 HIS HB3 H 3.037 0.05 2 42 . 5 HIS HB2 H 3.170 0.05 2 43 . 5 HIS CD2 C 119.640 1.00 1 44 . 5 HIS HD2 H 7.016 0.05 3 45 . 5 HIS C C 175.090 1.00 1 46 . 6 GLY N N 111.430 0.25 1 47 . 6 GLY H H 8.055 0.05 1 48 . 6 GLY CA C 45.350 1.00 1 49 . 6 GLY HA3 H 3.972 0.05 2 50 . 6 GLY HA2 H 4.142 0.05 2 51 . 6 GLY C C 171.983 1.00 1 52 . 7 ASP N N 115.950 0.25 1 53 . 7 ASP H H 8.113 0.05 1 54 . 7 ASP CA C 55.460 1.00 1 55 . 7 ASP HA H 4.820 0.05 1 56 . 7 ASP CB C 43.500 1.00 1 57 . 7 ASP HB3 H 2.658 0.05 1 58 . 7 ASP HB2 H 2.658 0.05 1 59 . 7 ASP C C 176.435 1.00 1 60 . 8 SER N N 113.460 0.25 1 61 . 8 SER H H 7.825 0.05 1 62 . 8 SER CA C 57.000 1.00 1 63 . 8 SER HA H 5.291 0.05 1 64 . 8 SER CB C 66.840 1.00 1 65 . 8 SER HB3 H 4.000 0.05 1 66 . 8 SER HB2 H 4.000 0.05 1 67 . 8 SER C C 173.020 1.00 1 68 . 9 THR N N 113.980 0.25 1 69 . 9 THR H H 8.567 0.05 1 70 . 9 THR CA C 62.200 1.00 1 71 . 9 THR HA H 4.655 0.05 1 72 . 9 THR CB C 69.500 1.00 1 73 . 9 THR HB H 4.135 0.05 1 74 . 9 THR CG2 C 20.100 1.00 1 75 . 9 THR HG2 H 0.850 0.05 1 76 . 9 THR C C 171.515 1.00 1 77 . 10 LYS N N 122.600 0.25 1 78 . 10 LYS H H 8.135 0.05 1 79 . 10 LYS CA C 55.460 1.00 1 80 . 10 LYS HA H 5.805 0.05 1 81 . 10 LYS CB C 37.250 1.00 1 82 . 10 LYS HB3 H 1.650 0.05 2 83 . 10 LYS HB2 H 1.725 0.05 2 84 . 10 LYS CG C 25.800 1.00 1 85 . 10 LYS HG3 H 1.375 0.05 1 86 . 10 LYS HG2 H 1.375 0.05 1 87 . 10 LYS CD C 30.800 1.00 1 88 . 10 LYS HD3 H 1.535 0.05 1 89 . 10 LYS HD2 H 1.535 0.05 1 90 . 10 LYS CE C 43.050 1.00 1 91 . 10 LYS HE3 H 2.850 0.05 1 92 . 10 LYS HE2 H 2.850 0.05 1 93 . 10 LYS C C 175.060 1.00 1 94 . 11 ALA N N 124.050 0.25 1 95 . 11 ALA H H 9.156 0.05 1 96 . 11 ALA CA C 51.830 1.00 1 97 . 11 ALA HA H 4.706 0.05 1 98 . 11 ALA CB C 24.400 1.00 1 99 . 11 ALA HB H 1.365 0.05 1 100 . 11 ALA C C 175.450 1.00 1 101 . 12 THR N N 118.440 0.25 1 102 . 12 THR H H 8.450 0.05 1 103 . 12 THR CA C 64.000 1.00 1 104 . 12 THR HA H 4.610 0.05 1 105 . 12 THR CB C 70.300 1.00 1 106 . 12 THR HB H 3.875 0.05 1 107 . 12 THR CG2 C 23.300 1.00 1 108 . 12 THR HG2 H 1.020 0.05 1 109 . 12 THR C C 172.595 1.00 1 110 . 13 LEU N N 129.990 0.25 1 111 . 13 LEU H H 9.185 0.05 1 112 . 13 LEU CA C 53.900 1.00 1 113 . 13 LEU HA H 4.595 0.05 1 114 . 13 LEU CB C 46.600 1.00 1 115 . 13 LEU HB3 H 1.095 0.05 2 116 . 13 LEU HB2 H 1.695 0.05 2 117 . 13 LEU CG C 27.800 1.00 1 118 . 13 LEU HG H 1.415 0.05 1 119 . 13 LEU CD1 C 28.100 1.00 1 120 . 13 LEU HD1 H 0.895 0.05 2 121 . 13 LEU CD2 C 24.400 1.00 1 122 . 13 LEU HD2 H 0.620 0.05 2 123 . 13 LEU C C 173.140 1.00 1 124 . 14 GLU N N 123.123 0.25 1 125 . 14 GLU H H 7.930 0.05 1 126 . 14 GLU CA C 54.415 1.00 1 127 . 14 GLU HA H 5.048 0.05 1 128 . 14 GLU CB C 32.900 1.00 1 129 . 14 GLU HB2 H 1.590 0.05 2 130 . 14 GLU C C 175.610 1.00 1 131 . 15 GLU N N 119.730 0.25 1 132 . 15 GLU H H 8.050 0.05 1 133 . 15 GLU CA C 58.050 1.00 1 134 . 15 GLU HA H 3.740 0.05 1 135 . 15 GLU CB C 30.875 1.00 1 136 . 15 GLU HB2 H 1.876 0.05 2 137 . 15 GLU C C 177.375 1.00 1 138 . 16 GLY N N 112.890 0.25 1 139 . 16 GLY H H 9.344 0.05 1 140 . 16 GLY CA C 45.630 1.00 1 141 . 16 GLY HA3 H 3.681 0.05 2 142 . 16 GLY HA2 H 4.403 0.05 2 143 . 16 GLY C C 174.175 1.00 1 144 . 17 GLN N N 120.475 0.25 1 145 . 17 GLN H H 8.355 0.05 1 146 . 17 GLN CA C 54.750 1.00 1 147 . 17 GLN HA H 5.075 0.05 1 148 . 17 GLN CB C 32.735 1.00 1 149 . 17 GLN HB3 H 1.936 0.05 2 150 . 17 GLN HB2 H 2.570 0.05 2 151 . 17 GLN CG C 35.400 1.00 1 152 . 17 GLN HG3 H 2.120 0.05 2 153 . 17 GLN HG2 H 2.192 0.05 2 154 . 17 GLN C C 173.640 1.00 1 155 . 18 GLN N N 114.600 0.25 1 156 . 18 GLN H H 8.730 0.05 1 157 . 18 GLN CA C 54.100 1.00 1 158 . 18 GLN HA H 5.440 0.05 1 159 . 18 GLN CB C 33.330 1.00 1 160 . 18 GLN HB3 H 1.615 0.05 2 161 . 18 GLN HB2 H 1.998 0.05 2 162 . 18 GLN CG C 34.300 1.00 1 163 . 18 GLN HG3 H 1.803 0.05 2 164 . 18 GLN HG2 H 1.998 0.05 2 165 . 18 GLN C C 173.770 1.00 1 166 . 19 LEU N N 122.450 0.25 1 167 . 19 LEU H H 9.105 0.05 1 168 . 19 LEU CA C 53.470 1.00 1 169 . 19 LEU HA H 5.390 0.05 1 170 . 19 LEU CB C 46.130 1.00 1 171 . 19 LEU HB3 H 1.560 0.05 2 172 . 19 LEU HB2 H 1.805 0.05 2 173 . 19 LEU CG C 28.050 1.00 1 174 . 19 LEU HG H 1.940 0.05 1 175 . 19 LEU CD1 C 27.100 1.00 1 176 . 19 LEU HD1 H 0.948 0.05 1 177 . 19 LEU CD2 C 27.100 1.00 1 178 . 19 LEU HD2 H 0.948 0.05 1 179 . 19 LEU C C 176.020 1.00 1 180 . 20 THR N N 118.385 0.25 1 181 . 20 THR H H 9.102 0.05 1 182 . 20 THR CA C 62.700 1.00 1 183 . 20 THR HA H 5.292 0.05 1 184 . 20 THR CB C 71.515 1.00 1 185 . 20 THR HB H 3.730 0.05 1 186 . 20 THR CG2 C 23.200 1.00 1 187 . 20 THR HG2 H 0.995 0.05 1 188 . 20 THR C C 173.635 1.00 1 189 . 21 LEU N N 133.985 0.25 1 190 . 21 LEU H H 9.873 0.05 1 191 . 21 LEU CA C 53.680 1.00 1 192 . 21 LEU HA H 5.390 0.05 1 193 . 21 LEU CB C 45.900 1.00 1 194 . 21 LEU HB3 H 0.825 0.05 2 195 . 21 LEU HB2 H 1.855 0.05 2 196 . 21 LEU CG C 28.800 1.00 1 197 . 21 LEU HG H 1.315 0.05 1 198 . 21 LEU CD1 C 24.500 1.00 1 199 . 21 LEU HD1 H 0.340 0.05 2 200 . 21 LEU CD2 C 29.100 1.00 1 201 . 21 LEU HD2 H 0.120 0.05 2 202 . 21 LEU C C 175.140 1.00 1 203 . 22 THR N N 126.200 0.25 1 204 . 22 THR H H 8.925 0.05 1 205 . 22 THR CA C 62.920 1.00 1 206 . 22 THR HA H 5.263 0.05 1 207 . 22 THR CB C 69.500 1.00 1 208 . 22 THR HB H 4.145 0.05 1 209 . 22 THR CG2 C 22.240 1.00 1 210 . 22 THR HG2 H 1.120 0.05 1 211 . 22 THR C C 174.350 1.00 1 212 . 23 PHE N N 123.000 0.25 1 213 . 23 PHE H H 8.902 0.05 1 214 . 23 PHE CA C 56.500 1.00 1 215 . 23 PHE HA H 5.245 0.05 1 216 . 23 PHE CB C 42.510 1.00 1 217 . 23 PHE HB3 H 2.704 0.05 2 218 . 23 PHE HB2 H 3.305 0.05 2 219 . 23 PHE CD1 C 133.090 1.00 1 220 . 23 PHE HD1 H 7.006 0.05 1 221 . 23 PHE CE1 C 130.725 1.00 1 222 . 23 PHE HE1 H 7.042 0.05 1 223 . 23 PHE CZ C 130.462 1.00 1 224 . 23 PHE HZ H 6.900 0.05 1 225 . 23 PHE CE2 C 130.725 1.00 1 226 . 23 PHE HE2 H 7.042 0.05 1 227 . 23 PHE CD2 C 133.090 1.00 1 228 . 23 PHE HD2 H 7.006 0.05 1 229 . 23 PHE C C 172.190 1.00 1 230 . 24 ILE N N 120.260 0.25 1 231 . 24 ILE H H 9.139 0.05 1 232 . 24 ILE CA C 61.665 1.00 1 233 . 24 ILE HA H 4.040 0.05 1 234 . 24 ILE CB C 40.670 1.00 1 235 . 24 ILE HB H 1.630 0.05 1 236 . 24 ILE CG1 C 28.500 1.00 2 237 . 24 ILE HG13 H 0.560 0.05 1 238 . 24 ILE HG12 H 1.362 0.05 1 239 . 24 ILE CD1 C 15.170 1.00 1 240 . 24 ILE HD1 H 0.753 0.05 1 241 . 24 ILE CG2 C 18.700 1.00 1 242 . 24 ILE HG2 H 0.656 0.05 1 243 . 24 ILE C C 175.190 1.00 1 244 . 25 SER N N 118.530 0.25 1 245 . 25 SER H H 7.899 0.05 1 246 . 25 SER CA C 56.970 1.00 1 247 . 25 SER HA H 4.658 0.05 1 248 . 25 SER CB C 65.600 1.00 1 249 . 25 SER HB3 H 3.540 0.05 2 250 . 25 SER HB2 H 4.098 0.05 2 251 . 25 SER C C 173.825 1.00 1 252 . 26 THR N N 111.911 0.25 1 253 . 26 THR H H 8.099 0.05 1 254 . 26 THR CA C 63.650 1.00 1 255 . 26 THR HA H 4.365 0.05 1 256 . 26 THR CB C 69.800 1.00 1 257 . 26 THR HB H 4.295 0.05 1 258 . 26 THR CG2 C 23.500 1.00 1 259 . 26 THR HG2 H 1.240 0.05 1 260 . 26 THR C C 175.015 1.00 1 261 . 27 LYS N N 121.777 0.25 1 262 . 27 LYS H H 8.005 0.05 1 263 . 27 LYS CA C 58.065 1.00 1 264 . 27 LYS HA H 4.965 0.05 1 265 . 27 LYS CB C 34.580 1.00 1 266 . 27 LYS HB3 H 1.569 0.05 2 267 . 27 LYS HB2 H 1.780 0.05 2 268 . 27 LYS CG C 26.270 1.00 1 269 . 27 LYS HG3 H 1.010 0.05 2 270 . 27 LYS HG2 H 1.120 0.05 2 271 . 27 LYS CD C 30.500 1.00 1 272 . 27 LYS HD3 H 1.535 0.05 2 273 . 27 LYS HD2 H 1.585 0.05 2 274 . 27 LYS CE C 42.430 1.00 1 275 . 27 LYS HE3 H 2.805 0.05 2 276 . 27 LYS HE2 H 2.895 0.05 2 277 . 27 LYS C C 172.915 1.00 1 278 . 28 LEU N N 130.430 0.25 1 279 . 28 LEU H H 8.556 0.05 1 280 . 28 LEU CA C 53.910 1.00 1 281 . 28 LEU HA H 4.985 0.05 1 282 . 28 LEU CB C 46.660 1.00 1 283 . 28 LEU HB3 H 1.045 0.05 2 284 . 28 LEU HB2 H 1.484 0.05 2 285 . 28 LEU CG C 28.290 1.00 1 286 . 28 LEU HG H 1.095 0.05 1 287 . 28 LEU CD1 C 25.500 1.00 1 288 . 28 LEU HD1 H 0.320 0.05 2 289 . 28 LEU CD2 C 28.400 1.00 1 290 . 28 LEU HD2 H -0.015 0.05 2 291 . 28 LEU C C 173.705 1.00 1 292 . 29 ASP N N 126.984 0.25 1 293 . 29 ASP H H 8.810 0.05 1 294 . 29 ASP CA C 53.985 1.00 1 295 . 29 ASP HA H 5.195 0.05 1 296 . 29 ASP CB C 44.580 1.00 1 297 . 29 ASP HB3 H 2.437 0.05 2 298 . 29 ASP HB2 H 2.536 0.05 2 299 . 29 ASP C C 175.180 1.00 1 300 . 30 VAL N N 123.140 0.25 1 301 . 30 VAL H H 8.845 0.05 1 302 . 30 VAL CA C 61.150 1.00 1 303 . 30 VAL HA H 4.805 0.05 1 304 . 30 VAL CB C 35.400 1.00 1 305 . 30 VAL HB H 1.900 0.05 1 306 . 30 VAL CG2 C 23.000 1.00 1 307 . 30 VAL HG2 H 0.310 0.05 2 308 . 30 VAL CG1 C 22.500 1.00 1 309 . 30 VAL HG1 H 0.731 0.05 2 310 . 30 VAL C C 174.050 1.00 1 311 . 31 ALA N N 129.735 0.25 1 312 . 31 ALA H H 8.477 0.05 1 313 . 31 ALA CA C 51.540 1.00 1 314 . 31 ALA HA H 4.900 0.05 1 315 . 31 ALA CB C 21.870 1.00 1 316 . 31 ALA HB H 1.365 0.05 1 317 . 31 ALA C C 175.605 1.00 1 318 . 32 VAL N N 124.500 0.25 1 319 . 32 VAL H H 8.960 0.05 1 320 . 32 VAL CA C 61.800 1.00 1 321 . 32 VAL HA H 4.024 0.05 1 322 . 32 VAL CB C 31.050 1.00 1 323 . 32 VAL HB H 2.437 0.05 1 324 . 32 VAL CG2 C 20.720 1.00 1 325 . 32 VAL HG2 H 0.753 0.05 1 326 . 32 VAL CG1 C 22.240 1.00 1 327 . 32 VAL HG1 H 0.753 0.05 1 328 . 32 VAL C C 173.400 1.00 1 329 . 33 GLY N N 114.600 0.25 1 330 . 33 GLY H H 8.715 0.05 1 331 . 33 GLY CA C 48.400 1.00 1 332 . 33 GLY HA3 H 3.878 0.05 2 333 . 33 GLY HA2 H 4.244 0.05 2 334 . 33 GLY C C 174.415 1.00 1 335 . 34 SER N N 123.325 0.25 1 336 . 34 SER H H 9.587 0.05 1 337 . 34 SER CA C 57.780 1.00 1 338 . 34 SER HA H 4.710 0.05 1 339 . 34 SER CB C 64.260 1.00 1 340 . 34 SER HB3 H 3.853 0.05 2 341 . 34 SER HB2 H 3.913 0.05 2 342 . 34 SER C C 174.778 1.00 1 343 . 35 CYS N N 118.350 0.25 1 344 . 35 CYS H H 8.645 0.05 1 345 . 35 CYS CA C 57.655 1.00 1 346 . 35 CYS HA H 4.952 0.05 1 347 . 35 CYS CB C 51.700 1.00 1 348 . 35 CYS HB3 H 2.998 0.05 2 349 . 35 CYS HB2 H 3.657 0.05 2 350 . 35 CYS C C 173.639 1.00 1 351 . 36 HIS N N 121.451 0.25 1 352 . 36 HIS H H 7.921 0.05 1 353 . 36 HIS CA C 58.540 1.00 1 354 . 36 HIS HA H 4.853 0.05 1 355 . 36 HIS CB C 32.700 1.00 1 356 . 36 HIS HB3 H 2.620 0.05 2 357 . 36 HIS HB2 H 3.025 0.05 2 358 . 36 HIS C C 172.805 1.00 1 359 . 37 SER N N 122.710 0.25 1 360 . 37 SER H H 7.276 0.05 1 361 . 37 SER CA C 58.050 1.00 1 362 . 37 SER HA H 5.098 0.05 1 363 . 37 SER CB C 66.340 1.00 1 364 . 37 SER HB3 H 3.780 0.05 1 365 . 37 SER HB2 H 3.780 0.05 1 366 . 37 SER C C 170.638 1.00 1 367 . 38 LEU N N 119.100 0.25 1 368 . 38 LEU H H 8.765 0.05 1 369 . 38 LEU CA C 55.735 1.00 1 370 . 38 LEU HA H 5.362 0.05 1 371 . 38 LEU CB C 44.930 1.00 1 372 . 38 LEU HB3 H 1.861 0.05 2 373 . 38 LEU HB2 H 2.096 0.05 2 374 . 38 LEU CG C 28.000 1.00 1 375 . 38 LEU HG H 1.681 0.05 1 376 . 38 LEU CD1 C 27.800 1.00 1 377 . 38 LEU HD1 H 0.950 0.05 2 378 . 38 LEU CD2 C 27.300 1.00 1 379 . 38 LEU HD2 H 0.900 0.05 2 380 . 38 LEU C C 174.985 1.00 1 381 . 39 VAL N N 121.470 0.25 1 382 . 39 VAL H H 9.253 0.05 1 383 . 39 VAL CA C 60.740 1.00 1 384 . 39 VAL HA H 4.990 0.05 1 385 . 39 VAL CB C 36.320 1.00 1 386 . 39 VAL HB H 2.015 0.05 1 387 . 39 VAL CG2 C 22.500 1.00 1 388 . 39 VAL HG2 H 0.850 0.05 2 389 . 39 VAL CG1 C 21.500 1.00 1 390 . 39 VAL HG1 H 0.890 0.05 2 391 . 39 VAL C C 174.350 1.00 1 392 . 40 ALA N N 129.960 0.25 1 393 . 40 ALA H H 9.195 0.05 1 394 . 40 ALA CA C 50.600 1.00 1 395 . 40 ALA HA H 4.636 0.05 1 396 . 40 ALA CB C 19.690 1.00 1 397 . 40 ALA HB H 1.005 0.05 1 398 . 40 ALA C C 173.695 1.00 1 399 . 41 ASN N N 121.682 0.25 1 400 . 41 ASN H H 8.525 0.05 1 401 . 41 ASN CA C 51.530 1.00 1 402 . 41 ASN HA H 4.756 0.05 1 403 . 41 ASN CB C 38.800 1.00 1 404 . 41 ASN HB3 H 1.753 0.05 2 405 . 41 ASN HB2 H 2.071 0.05 2 406 . 41 ASN C C 174.885 1.00 1 407 . 42 PHE N N 122.370 0.25 1 408 . 42 PHE H H 8.115 0.05 1 409 . 42 PHE CA C 59.530 1.00 1 410 . 42 PHE HA H 4.075 0.05 1 411 . 42 PHE CB C 38.900 1.00 1 412 . 42 PHE HB3 H 2.926 0.05 2 413 . 42 PHE HB2 H 3.096 0.05 2 414 . 42 PHE CD1 C 131.470 1.00 1 415 . 42 PHE HD1 H 7.101 0.05 1 416 . 42 PHE CE1 C 130.460 1.00 1 417 . 42 PHE HE1 H 6.905 0.05 1 418 . 42 PHE CZ C 128.230 1.00 1 419 . 42 PHE HZ H 6.835 0.05 1 420 . 42 PHE CE2 C 130.460 1.00 1 421 . 42 PHE HE2 H 6.905 0.05 1 422 . 42 PHE CD2 C 131.470 1.00 1 423 . 42 PHE HD2 H 7.101 0.05 1 424 . 42 PHE C C 176.410 1.00 1 425 . 43 LEU N N 120.750 0.25 1 426 . 43 LEU H H 7.898 0.05 1 427 . 43 LEU CA C 58.045 1.00 1 428 . 43 LEU HA H 4.240 0.05 1 429 . 43 LEU CB C 42.530 1.00 1 430 . 43 LEU HB3 H 1.630 0.05 2 431 . 43 LEU HB2 H 1.700 0.05 2 432 . 43 LEU CG C 27.900 1.00 1 433 . 43 LEU HG H 1.610 0.05 1 434 . 43 LEU CD1 C 26.050 1.00 1 435 . 43 LEU HD1 H 0.900 0.05 2 436 . 43 LEU CD2 C 25.050 1.00 1 437 . 43 LEU HD2 H 0.850 0.05 2 438 . 43 LEU C C 177.934 1.00 1 439 . 44 ASP N N 115.925 0.25 1 440 . 44 ASP H H 7.428 0.05 1 441 . 44 ASP CA C 54.947 1.00 1 442 . 44 ASP HA H 4.658 0.05 1 443 . 44 ASP CB C 42.530 1.00 1 444 . 44 ASP HB3 H 1.965 0.05 2 445 . 44 ASP HB2 H 2.803 0.05 2 446 . 44 ASP C C 176.745 1.00 1 447 . 45 GLY N N 107.420 0.25 1 448 . 45 GLY H H 7.229 0.05 1 449 . 45 GLY CA C 47.750 1.00 1 450 . 45 GLY HA3 H 3.576 0.05 2 451 . 45 GLY HA2 H 4.121 0.05 2 452 . 45 GLY C C 174.638 1.00 1 453 . 46 PHE N N 116.200 0.25 1 454 . 46 PHE H H 8.111 0.05 1 455 . 46 PHE CA C 57.015 1.00 1 456 . 46 PHE HA H 5.342 0.05 1 457 . 46 PHE CB C 42.530 1.00 1 458 . 46 PHE HB3 H 2.804 0.05 2 459 . 46 PHE HB2 H 3.003 0.05 2 460 . 46 PHE CD1 C 132.880 1.00 1 461 . 46 PHE HD1 H 6.895 0.05 1 462 . 46 PHE CE1 C 131.040 1.00 1 463 . 46 PHE HE1 H 7.199 0.05 1 464 . 46 PHE CZ C 129.925 1.00 1 465 . 46 PHE HZ H 7.316 0.05 1 466 . 46 PHE CE2 C 131.040 1.00 1 467 . 46 PHE HE2 H 7.199 0.05 1 468 . 46 PHE CD2 C 132.880 1.00 1 469 . 46 PHE HD2 H 6.895 0.05 1 470 . 46 PHE C C 171.855 1.00 1 471 . 47 LEU N N 122.740 0.25 1 472 . 47 LEU H H 9.160 0.05 1 473 . 47 LEU CA C 53.890 1.00 1 474 . 47 LEU HA H 5.317 0.05 1 475 . 47 LEU CB C 45.112 1.00 1 476 . 47 LEU HB3 H 1.168 0.05 2 477 . 47 LEU HB2 H 1.876 0.05 2 478 . 47 LEU CG C 29.000 1.00 1 479 . 47 LEU HG H 1.632 0.05 1 480 . 47 LEU CD1 C 26.780 1.00 1 481 . 47 LEU HD1 H 0.900 0.05 2 482 . 47 LEU CD2 C 25.770 1.00 1 483 . 47 LEU HD2 H 0.826 0.05 2 484 . 47 LEU C C 174.395 1.00 1 485 . 48 LYS N N 127.630 0.25 1 486 . 48 LYS H H 9.281 0.05 1 487 . 48 LYS CA C 54.780 1.00 1 488 . 48 LYS HA H 5.625 0.05 1 489 . 48 LYS CB C 36.762 1.00 1 490 . 48 LYS HB3 H 1.583 0.05 2 491 . 48 LYS HB2 H 1.755 0.05 2 492 . 48 LYS CG C 26.050 1.00 1 493 . 48 LYS HG3 H 1.105 0.05 2 494 . 48 LYS HG2 H 1.145 0.05 2 495 . 48 LYS CD C 30.600 1.00 1 496 . 48 LYS HD3 H 1.050 0.05 2 497 . 48 LYS HD2 H 1.095 0.05 2 498 . 48 LYS CE C 41.800 1.00 1 499 . 48 LYS HE3 H 1.925 0.05 2 500 . 48 LYS HE2 H 2.020 0.05 2 501 . 48 LYS C C 174.775 1.00 1 502 . 49 PHE N N 122.080 0.25 1 503 . 49 PHE H H 8.644 0.05 1 504 . 49 PHE CA C 55.740 1.00 1 505 . 49 PHE HA H 5.440 0.05 1 506 . 49 PHE CB C 43.850 1.00 1 507 . 49 PHE HB3 H 2.815 0.05 1 508 . 49 PHE HB2 H 2.815 0.05 1 509 . 49 PHE CD1 C 132.925 1.00 1 510 . 49 PHE HD1 H 6.360 0.05 1 511 . 49 PHE CE1 C 129.900 1.00 1 512 . 49 PHE HE1 H 6.760 0.05 1 513 . 49 PHE CZ C 128.460 1.00 1 514 . 49 PHE HZ H 6.961 0.05 1 515 . 49 PHE CE2 C 129.900 1.00 1 516 . 49 PHE HE2 H 6.760 0.05 1 517 . 49 PHE CD2 C 132.925 1.00 1 518 . 49 PHE HD2 H 6.360 0.05 1 519 . 49 PHE C C 173.020 1.00 1 520 . 50 GLN N N 122.866 0.25 1 521 . 50 GLN H H 7.742 0.05 1 522 . 50 GLN CA C 55.990 1.00 1 523 . 50 GLN HA H 4.117 0.05 1 524 . 50 GLN CB C 31.650 1.00 1 525 . 50 GLN HB3 H 1.630 0.05 2 526 . 50 GLN HB2 H 1.795 0.05 2 527 . 50 GLN C C 175.090 1.00 1 528 . 51 THR N N 114.750 0.25 1 529 . 51 THR H H 8.152 0.05 1 530 . 51 THR CA C 62.427 1.00 1 531 . 51 THR HA H 4.595 0.05 1 532 . 51 THR CB C 69.970 1.00 1 533 . 51 THR HB H 4.315 0.05 1 534 . 51 THR CG2 C 23.900 1.00 1 535 . 51 THR HG2 H 1.120 0.05 1 536 . 51 THR C C 175.296 1.00 1 537 . 52 GLY N N 111.466 0.25 1 538 . 52 GLY H H 7.900 0.05 1 539 . 52 GLY CA C 46.335 1.00 1 540 . 52 GLY HA3 H 4.060 0.05 1 541 . 52 GLY HA2 H 4.060 0.05 1 542 . 52 GLY C C 173.950 1.00 1 543 . 53 SER N N 117.450 0.25 1 544 . 53 SER H H 8.475 0.05 1 545 . 53 SER CA C 59.275 1.00 1 546 . 53 SER HA H 4.415 0.05 1 547 . 53 SER CB C 63.752 1.00 1 548 . 53 SER HB3 H 3.780 0.05 2 549 . 53 SER HB2 H 3.875 0.05 2 550 . 53 SER C C 174.880 1.00 1 551 . 54 ASN N N 119.350 0.25 1 552 . 54 ASN H H 8.323 0.05 1 553 . 54 ASN CA C 53.890 1.00 1 554 . 54 ASN CB C 38.890 1.00 1 555 . 54 ASN C C 175.070 1.00 1 556 . 55 SER CA C 58.590 1.00 1 557 . 55 SER HA H 4.200 0.05 1 558 . 55 SER CB C 63.700 1.00 1 559 . 55 SER HB3 H 3.840 0.05 1 560 . 55 SER HB2 H 3.840 0.05 1 561 . 56 ALA N N 125.055 0.25 1 562 . 56 ALA H H 7.548 0.05 1 563 . 56 ALA CA C 52.350 1.00 1 564 . 56 ALA HA H 4.317 0.05 1 565 . 56 ALA CB C 20.450 1.00 1 566 . 56 ALA HB H 1.217 0.05 1 567 . 56 ALA C C 176.125 1.00 1 568 . 57 PHE N N 118.044 0.25 1 569 . 57 PHE H H 8.032 0.05 1 570 . 57 PHE CA C 57.100 1.00 1 571 . 57 PHE HA H 5.000 0.05 1 572 . 57 PHE CB C 42.525 1.00 1 573 . 57 PHE HB3 H 2.595 0.05 1 574 . 57 PHE HB2 H 2.595 0.05 1 575 . 57 PHE CD1 C 132.100 1.00 1 576 . 57 PHE HD1 H 6.882 0.05 1 577 . 57 PHE CE1 C 131.470 1.00 1 578 . 57 PHE HE1 H 7.102 0.05 1 579 . 57 PHE CE2 C 131.470 1.00 1 580 . 57 PHE HE2 H 7.102 0.05 1 581 . 57 PHE CD2 C 132.100 1.00 1 582 . 57 PHE HD2 H 6.882 0.05 1 583 . 57 PHE C C 174.882 1.00 1 584 . 58 ASP N N 122.302 0.25 1 585 . 58 ASP H H 8.307 0.05 1 586 . 58 ASP CA C 52.700 1.00 1 587 . 58 ASP HA H 4.685 0.05 1 588 . 58 ASP CB C 44.796 1.00 1 589 . 58 ASP HB3 H 1.583 0.05 2 590 . 58 ASP HB2 H 1.876 0.05 2 591 . 58 ASP C C 173.708 1.00 1 592 . 59 VAL N N 115.464 0.25 1 593 . 59 VAL H H 8.252 0.05 1 594 . 59 VAL CA C 60.761 1.00 1 595 . 59 VAL HA H 5.220 0.05 1 596 . 59 VAL CB C 36.600 1.00 1 597 . 59 VAL HB H 1.757 0.05 1 598 . 59 VAL CG2 C 22.240 1.00 1 599 . 59 VAL HG2 H 0.656 0.05 2 600 . 59 VAL CG1 C 22.240 1.00 1 601 . 59 VAL C C 175.815 1.00 1 602 . 60 VAL N N 124.100 0.25 1 603 . 60 VAL H H 9.157 0.05 1 604 . 60 VAL CA C 61.162 1.00 1 605 . 60 VAL HA H 4.512 0.05 1 606 . 60 VAL CB C 36.106 1.00 1 607 . 60 VAL HB H 2.170 0.05 1 608 . 60 VAL CG2 C 22.230 1.00 1 609 . 60 VAL HG2 H 1.145 0.05 2 610 . 60 VAL CG1 C 23.250 1.00 1 611 . 60 VAL HG1 H 1.192 0.05 2 612 . 60 VAL C C 175.020 1.00 1 613 . 61 GLU N N 125.700 0.25 1 614 . 61 GLU H H 8.826 0.05 1 615 . 61 GLU CA C 58.480 1.00 1 616 . 61 GLU HA H 4.414 0.05 1 617 . 61 GLU CB C 31.137 1.00 1 618 . 61 GLU HB3 H 2.030 0.05 2 619 . 61 GLU HB2 H 2.060 0.05 2 620 . 61 GLU CG C 38.150 1.00 1 621 . 61 GLU HG3 H 2.267 0.05 2 622 . 61 GLU HG2 H 2.388 0.05 2 623 . 61 GLU C C 176.125 1.00 1 624 . 62 VAL N N 119.346 0.25 1 625 . 62 VAL H H 7.482 0.05 1 626 . 62 VAL CA C 60.970 1.00 1 627 . 62 VAL HA H 4.122 0.05 1 628 . 62 VAL CB C 34.501 1.00 1 629 . 62 VAL HB H 1.388 0.05 1 630 . 62 VAL CG2 C 22.200 1.00 1 631 . 62 VAL HG2 H 0.168 0.05 2 632 . 62 VAL CG1 C 20.700 1.00 1 633 . 62 VAL HG1 H 0.265 0.05 2 634 . 62 VAL C C 173.845 1.00 1 635 . 63 GLU N N 121.825 0.25 1 636 . 63 GLU H H 7.592 0.05 1 637 . 63 GLU CA C 56.170 1.00 1 638 . 63 GLU CB C 32.827 1.00 1 639 . 63 GLU C C 173.830 1.00 1 640 . 64 GLU N N 118.140 0.25 1 641 . 64 GLU H H 8.341 0.05 1 642 . 64 GLU CA C 56.184 1.00 1 643 . 64 GLU CB C 30.815 1.00 1 644 . 64 GLU C C 173.125 1.00 1 645 . 65 PRO CA C 63.175 1.00 1 646 . 65 PRO HA H 4.610 0.05 1 647 . 65 PRO CB C 32.529 1.00 1 648 . 65 PRO HB3 H 1.388 0.05 2 649 . 65 PRO HB2 H 1.605 0.05 2 650 . 65 PRO CG C 28.540 1.00 1 651 . 65 PRO HG3 H 1.000 0.05 2 652 . 65 PRO HG2 H 1.730 0.05 2 653 . 65 PRO CD C 51.150 1.00 1 654 . 65 PRO HD3 H 3.193 0.05 2 655 . 65 PRO HD2 H 3.413 0.05 2 656 . 65 PRO C C 177.255 1.00 1 657 . 66 ALA N N 123.055 0.25 1 658 . 66 ALA H H 8.590 0.05 1 659 . 66 ALA CA C 52.145 1.00 1 660 . 66 ALA HA H 4.315 0.05 1 661 . 66 ALA CB C 20.810 1.00 1 662 . 66 ALA HB H 1.095 0.05 1 663 . 66 ALA C C 176.919 1.00 1 664 . 67 GLY N N 109.250 0.25 1 665 . 67 GLY H H 8.570 0.05 1 666 . 67 GLY CA C 45.617 1.00 1 667 . 67 GLY C C 170.465 1.00 1 668 . 68 PRO CA C 64.055 1.00 1 669 . 68 PRO HA H 4.316 0.05 1 670 . 68 PRO CB C 32.461 1.00 1 671 . 68 PRO HB3 H 1.632 0.05 2 672 . 68 PRO HB2 H 2.046 0.05 2 673 . 68 PRO CG C 28.700 1.00 1 674 . 68 PRO HG3 H 1.729 0.05 2 675 . 68 PRO HG2 H 1.925 0.05 2 676 . 68 PRO CD C 51.200 1.00 1 677 . 68 PRO HD3 H 3.340 0.05 2 678 . 68 PRO HD2 H 3.413 0.05 2 679 . 68 PRO C C 176.390 1.00 1 680 . 69 ALA N N 127.478 0.25 1 681 . 69 ALA H H 8.574 0.05 1 682 . 69 ALA CA C 51.520 1.00 1 683 . 69 ALA HA H 4.852 0.05 1 684 . 69 ALA CB C 23.532 1.00 1 685 . 69 ALA HB H 0.935 0.05 1 686 . 69 ALA C C 174.190 1.00 1 687 . 70 VAL N N 118.153 0.25 1 688 . 70 VAL H H 8.881 0.05 1 689 . 70 VAL CA C 61.792 1.00 1 690 . 70 VAL HA H 5.098 0.05 1 691 . 70 VAL CB C 35.595 1.00 1 692 . 70 VAL HB H 1.974 0.05 1 693 . 70 VAL CG2 C 23.000 1.00 1 694 . 70 VAL HG2 H 0.805 0.05 2 695 . 70 VAL CG1 C 22.500 1.00 1 696 . 70 VAL HG1 H 0.850 0.05 2 697 . 70 VAL C C 175.293 1.00 1 698 . 71 LEU N N 130.880 0.25 1 699 . 71 LEU H H 9.717 0.05 1 700 . 71 LEU CA C 53.648 1.00 1 701 . 71 LEU HA H 5.562 0.05 1 702 . 71 LEU CB C 47.189 1.00 1 703 . 71 LEU HB3 H 1.436 0.05 2 704 . 71 LEU HB2 H 2.065 0.05 2 705 . 71 LEU CG C 29.000 1.00 1 706 . 71 LEU HG H 1.485 0.05 1 707 . 71 LEU CD1 C 25.260 1.00 1 708 . 71 LEU HD1 H 0.850 0.05 1 709 . 71 LEU CD2 C 25.260 1.00 1 710 . 71 LEU HD2 H 0.850 0.05 1 711 . 71 LEU C C 174.745 1.00 1 712 . 72 THR N N 124.821 0.25 1 713 . 72 THR H H 9.615 0.05 1 714 . 72 THR CA C 61.690 1.00 1 715 . 72 THR HA H 5.683 0.05 1 716 . 72 THR CB C 70.740 1.00 1 717 . 72 THR HB H 3.830 0.05 1 718 . 72 THR CG2 C 22.500 1.00 1 719 . 72 THR HG2 H 0.950 0.05 1 720 . 72 THR C C 173.797 1.00 1 721 . 73 ILE N N 124.529 0.25 1 722 . 73 ILE H H 8.917 0.05 1 723 . 73 ILE CA C 60.636 1.00 1 724 . 73 ILE HA H 4.694 0.05 1 725 . 73 ILE CB C 42.232 1.00 1 726 . 73 ILE HB H 1.568 0.05 1 727 . 73 ILE C C 174.100 1.00 1 728 . 74 GLY N N 114.500 0.25 1 729 . 74 GLY H H 9.316 0.05 1 730 . 74 GLY CA C 45.111 1.00 1 731 . 74 GLY HA3 H 3.585 0.05 2 732 . 74 GLY HA2 H 4.950 0.05 2 733 . 74 GLY C C 171.205 1.00 1 734 . 75 LEU N N 125.753 0.25 1 735 . 75 LEU H H 7.731 0.05 1 736 . 75 LEU CA C 53.907 1.00 1 737 . 75 LEU HA H 4.990 0.05 1 738 . 75 LEU CB C 44.990 1.00 1 739 . 75 LEU HB3 H 0.840 0.05 2 740 . 75 LEU HB2 H 1.850 0.05 2 741 . 75 LEU CG C 28.800 1.00 1 742 . 75 LEU HG H 1.340 0.05 1 743 . 75 LEU CD1 C 24.100 1.00 1 744 . 75 LEU HD1 H 0.615 0.05 2 745 . 75 LEU CD2 C 26.300 1.00 1 746 . 75 LEU HD2 H 0.605 0.05 2 747 . 75 LEU C C 174.675 1.00 1 748 . 76 GLY N N 115.197 0.25 1 749 . 76 GLY H H 9.162 0.05 1 750 . 76 GLY CA C 43.770 1.00 1 751 . 76 GLY HA3 H 3.550 0.05 2 752 . 76 GLY HA2 H 4.535 0.05 2 753 . 76 GLY C C 172.503 1.00 1 754 . 77 HIS N N 118.442 0.25 1 755 . 77 HIS H H 8.222 0.05 1 756 . 77 HIS CA C 57.425 1.00 1 757 . 77 HIS HA H 4.318 0.05 1 758 . 77 HIS CB C 30.884 1.00 1 759 . 77 HIS HB2 H 2.975 0.05 2 760 . 77 HIS C C 176.230 1.00 1 761 . 78 LYS N N 121.780 0.25 1 762 . 78 LYS H H 8.816 0.05 1 763 . 78 LYS CA C 57.371 1.00 1 764 . 78 LYS HA H 3.680 0.05 1 765 . 78 LYS CB C 30.619 1.00 1 766 . 78 LYS HB3 H 1.535 0.05 2 767 . 78 LYS HB2 H 1.974 0.05 2 768 . 78 LYS CG C 26.270 1.00 1 769 . 78 LYS HG3 H 1.022 0.05 2 770 . 78 LYS HG2 H 1.095 0.05 2 771 . 78 LYS CD C 30.040 1.00 1 772 . 78 LYS HD3 H 1.535 0.05 2 773 . 78 LYS HD2 H 1.560 0.05 2 774 . 78 LYS CE C 42.700 1.00 1 775 . 78 LYS HE3 H 2.900 0.05 2 776 . 78 LYS HE2 H 2.925 0.05 2 777 . 78 LYS C C 176.646 1.00 1 778 . 79 GLY N N 105.085 0.25 1 779 . 79 GLY H H 8.211 0.05 1 780 . 79 GLY CA C 46.660 1.00 1 781 . 79 GLY HA3 H 3.215 0.05 2 782 . 79 GLY HA2 H 3.950 0.05 2 783 . 79 GLY C C 174.675 1.00 1 784 . 80 ARG N N 123.196 0.25 1 785 . 80 ARG H H 6.913 0.05 1 786 . 80 ARG CA C 57.642 1.00 1 787 . 80 ARG HA H 4.435 0.05 1 788 . 80 ARG CB C 31.150 1.00 1 789 . 80 ARG HB3 H 1.435 0.05 2 790 . 80 ARG HB2 H 1.827 0.05 2 791 . 80 ARG CG C 29.300 1.00 1 792 . 80 ARG HG3 H 1.265 0.05 2 793 . 80 ARG HG2 H 1.385 0.05 2 794 . 80 ARG CD C 44.530 1.00 1 795 . 80 ARG HD3 H 3.100 0.05 2 796 . 80 ARG HD2 H 3.145 0.05 2 797 . 80 ARG C C 174.780 1.00 1 798 . 81 LEU N N 130.840 0.25 1 799 . 81 LEU H H 8.568 0.05 1 800 . 81 LEU CA C 53.914 1.00 1 801 . 81 LEU HA H 5.122 0.05 1 802 . 81 LEU CB C 46.310 1.00 1 803 . 81 LEU HB3 H 1.217 0.05 1 804 . 81 LEU HB2 H 1.217 0.05 1 805 . 81 LEU CG C 27.800 1.00 1 806 . 81 LEU HG H 1.240 0.05 1 807 . 81 LEU CD1 C 26.500 1.00 1 808 . 81 LEU HD1 H 0.460 0.05 2 809 . 81 LEU CD2 C 26.000 1.00 1 810 . 81 LEU HD2 H 0.363 0.05 2 811 . 81 LEU C C 174.262 1.00 1 812 . 82 ALA N N 126.593 0.25 1 813 . 82 ALA H H 8.452 0.05 1 814 . 82 ALA CA C 51.533 1.00 1 815 . 82 ALA HA H 4.804 0.05 1 816 . 82 ALA CB C 22.136 1.00 1 817 . 82 ALA HB H 1.120 0.05 1 818 . 82 ALA C C 175.415 1.00 1 819 . 83 VAL N N 125.670 0.25 1 820 . 83 VAL H H 8.142 0.05 1 821 . 83 VAL CA C 61.625 1.00 1 822 . 83 VAL HA H 4.757 0.05 1 823 . 83 VAL CB C 34.767 1.00 1 824 . 83 VAL HB H 0.070 0.05 1 825 . 83 VAL CG2 C 22.230 1.00 1 826 . 83 VAL HG2 H 0.515 0.05 2 827 . 83 VAL CG1 C 22.230 1.00 1 828 . 83 VAL HG1 H 0.555 0.05 2 829 . 83 VAL C C 174.570 1.00 1 830 . 84 VAL N N 124.824 0.25 1 831 . 84 VAL H H 8.587 0.05 1 832 . 84 VAL CA C 61.919 1.00 1 833 . 84 VAL HA H 4.463 0.05 1 834 . 84 VAL CB C 36.046 1.00 1 835 . 84 VAL HB H 1.827 0.05 1 836 . 84 VAL CG2 C 22.230 1.00 1 837 . 84 VAL HG2 H 0.753 0.05 2 838 . 84 VAL CG1 C 22.740 1.00 1 839 . 84 VAL HG1 H 0.802 0.05 2 840 . 84 VAL C C 173.370 1.00 1 841 . 85 LEU N N 130.077 0.25 1 842 . 85 LEU H H 9.392 0.05 1 843 . 85 LEU CA C 53.890 1.00 1 844 . 85 LEU HA H 5.475 0.05 1 845 . 85 LEU CB C 45.640 1.00 1 846 . 85 LEU HB3 H 1.169 0.05 2 847 . 85 LEU HB2 H 2.205 0.05 2 848 . 85 LEU CG C 29.300 1.00 1 849 . 85 LEU HG H 1.680 0.05 1 850 . 85 LEU CD1 C 28.300 1.00 1 851 . 85 LEU HD1 H 0.910 0.05 1 852 . 85 LEU CD2 C 28.300 1.00 1 853 . 85 LEU HD2 H 0.910 0.05 1 854 . 85 LEU C C 174.212 1.00 1 855 . 86 ASP N N 127.818 0.25 1 856 . 86 ASP H H 9.340 0.05 1 857 . 86 ASP CA C 54.192 1.00 1 858 . 86 ASP HA H 5.635 0.05 1 859 . 86 ASP CB C 44.592 1.00 1 860 . 86 ASP HB3 H 2.535 0.05 1 861 . 86 ASP HB2 H 2.535 0.05 1 862 . 86 ASP C C 175.456 1.00 1 863 . 87 TYR N N 117.830 0.25 1 864 . 87 TYR H H 8.620 0.05 1 865 . 87 TYR CA C 56.240 1.00 1 866 . 87 TYR HA H 5.048 0.05 1 867 . 87 TYR CB C 40.230 1.00 1 868 . 87 TYR HB3 H 2.780 0.05 2 869 . 87 TYR HB2 H 3.047 0.05 2 870 . 87 TYR CD1 C 133.990 1.00 1 871 . 87 TYR HD1 H 6.655 0.05 1 872 . 87 TYR CE1 C 117.880 1.00 1 873 . 87 TYR HE1 H 6.683 0.05 1 874 . 87 TYR CE2 C 117.880 1.00 1 875 . 87 TYR HE2 H 6.683 0.05 1 876 . 87 TYR CD2 C 133.990 1.00 1 877 . 87 TYR HD2 H 6.655 0.05 1 878 . 87 TYR C C 172.751 1.00 1 879 . 88 THR N N 118.400 0.25 1 880 . 88 THR H H 8.485 0.05 1 881 . 88 THR CA C 63.741 1.00 1 882 . 88 THR HA H 4.292 0.05 1 883 . 88 THR CB C 69.970 1.00 1 884 . 88 THR HB H 3.902 0.05 1 885 . 88 THR CG2 C 23.000 1.00 1 886 . 88 THR HG2 H 1.192 0.05 1 887 . 88 THR C C 174.520 1.00 1 888 . 89 ARG N N 126.150 0.25 1 889 . 89 ARG H H 8.818 0.05 1 890 . 89 ARG CA C 56.261 1.00 1 891 . 89 ARG HA H 4.902 0.05 1 892 . 89 ARG CB C 34.082 1.00 1 893 . 89 ARG HB3 H 1.827 0.05 2 894 . 89 ARG HB2 H 2.096 0.05 2 895 . 89 ARG CD C 44.600 1.00 1 896 . 89 ARG HD3 H 2.876 0.05 2 897 . 89 ARG HD2 H 3.072 0.05 2 898 . 89 ARG C C 178.400 1.00 1 899 . 90 LEU N N 121.818 0.25 1 900 . 90 LEU H H 8.884 0.05 1 901 . 90 LEU CA C 58.045 1.00 1 902 . 90 LEU HA H 3.950 0.05 1 903 . 90 LEU CB C 42.535 1.00 1 904 . 90 LEU HB3 H 1.485 0.05 2 905 . 90 LEU HB2 H 1.680 0.05 2 906 . 90 LEU CG C 28.050 1.00 1 907 . 90 LEU HG H 1.510 0.05 1 908 . 90 LEU CD1 C 26.270 1.00 1 909 . 90 LEU HD1 H 0.826 0.05 2 910 . 90 LEU CD2 C 24.250 1.00 1 911 . 90 LEU HD2 H 0.802 0.05 2 912 . 90 LEU C C 177.320 1.00 1 913 . 91 ASN N N 115.722 0.25 1 914 . 91 ASN H H 7.945 0.05 1 915 . 91 ASN CA C 53.632 1.00 1 916 . 91 ASN HA H 4.485 0.05 1 917 . 91 ASN CB C 37.860 1.00 1 918 . 91 ASN HB3 H 2.754 0.05 2 919 . 91 ASN HB2 H 3.047 0.05 2 920 . 91 ASN C C 175.308 1.00 1 921 . 92 ALA N N 116.840 0.25 1 922 . 92 ALA H H 7.887 0.05 1 923 . 92 ALA CA C 54.300 1.00 1 924 . 92 ALA HA H 3.890 0.05 1 925 . 92 ALA CB C 18.450 1.00 1 926 . 92 ALA HB H 1.437 0.05 1 927 . 92 ALA C C 175.950 1.00 1 928 . 93 ALA N N 121.692 0.25 1 929 . 93 ALA H H 7.530 0.05 1 930 . 93 ALA CA C 51.840 1.00 1 931 . 93 ALA HA H 4.342 0.05 1 932 . 93 ALA CB C 20.500 1.00 1 933 . 93 ALA HB H 1.315 0.05 1 934 . 93 ALA C C 175.815 1.00 1 935 . 94 LEU N N 120.150 0.25 1 936 . 94 LEU H H 8.067 0.05 1 937 . 94 LEU CA C 55.750 1.00 1 938 . 94 LEU HA H 4.463 0.05 1 939 . 94 LEU CB C 43.802 1.00 1 940 . 94 LEU HB3 H 1.412 0.05 1 941 . 94 LEU HB2 H 1.412 0.05 1 942 . 94 LEU CG C 27.800 1.00 1 943 . 94 LEU HG H 1.485 0.05 1 944 . 94 LEU CD1 C 25.600 1.00 1 945 . 94 LEU HD1 H 0.705 0.05 1 946 . 94 LEU CD2 C 25.600 1.00 1 947 . 94 LEU HD2 H 0.705 0.05 1 948 . 94 LEU C C 177.800 1.00 1 949 . 95 GLY N N 112.354 0.25 1 950 . 95 GLY H H 8.680 0.05 1 951 . 95 GLY CA C 43.700 1.00 1 952 . 95 GLY HA3 H 2.429 0.05 2 953 . 95 GLY HA2 H 4.220 0.05 2 954 . 95 GLY C C 171.985 1.00 1 955 . 96 SER N N 113.734 0.25 1 956 . 96 SER H H 8.059 0.05 1 957 . 96 SER CA C 58.065 1.00 1 958 . 96 SER HA H 5.634 0.05 1 959 . 96 SER CB C 66.320 1.00 1 960 . 96 SER HB3 H 3.535 0.05 2 961 . 96 SER HB2 H 3.608 0.05 2 962 . 96 SER C C 173.885 1.00 1 963 . 97 ALA N N 130.403 0.25 1 964 . 97 ALA H H 9.318 0.05 1 965 . 97 ALA CA C 51.839 1.00 1 966 . 97 ALA HA H 4.818 0.05 1 967 . 97 ALA CB C 23.160 1.00 1 968 . 97 ALA HB H 1.450 0.05 1 969 . 97 ALA C C 174.260 1.00 1 970 . 98 ALA N N 122.788 0.25 1 971 . 98 ALA H H 8.292 0.05 1 972 . 98 ALA CA C 51.580 1.00 1 973 . 98 ALA HA H 5.194 0.05 1 974 . 98 ALA CB C 24.403 1.00 1 975 . 98 ALA HB H 1.335 0.05 1 976 . 98 ALA C C 175.920 1.00 1 977 . 99 TYR N N 115.748 0.25 1 978 . 99 TYR H H 8.476 0.05 1 979 . 99 TYR CA C 57.768 1.00 1 980 . 99 TYR HA H 4.690 0.05 1 981 . 99 TYR CB C 41.190 1.00 1 982 . 99 TYR HB3 H 2.590 0.05 2 983 . 99 TYR HB2 H 2.470 0.05 2 984 . 99 TYR C C 172.620 1.00 1 985 . 100 VAL N N 118.440 0.25 1 986 . 100 VAL H H 8.190 0.05 1 987 . 100 VAL CA C 60.634 1.00 1 988 . 100 VAL HA H 4.853 0.05 1 989 . 100 VAL CB C 36.320 1.00 1 990 . 100 VAL HB H 1.827 0.05 1 991 . 100 VAL CG2 C 22.340 1.00 1 992 . 100 VAL HG2 H 0.729 0.05 2 993 . 100 VAL CG1 C 22.740 1.00 1 994 . 100 VAL HG1 H 0.803 0.05 2 995 . 100 VAL C C 175.720 1.00 1 996 . 101 VAL N N 127.723 0.25 1 997 . 101 VAL H H 9.214 0.05 1 998 . 101 VAL CA C 61.954 1.00 1 999 . 101 VAL HA H 4.268 0.05 1 1000 . 101 VAL CB C 34.132 1.00 1 1001 . 101 VAL HB H 1.973 0.05 1 1002 . 101 VAL CG2 C 23.240 1.00 1 1003 . 101 VAL HG2 H 0.875 0.05 2 1004 . 101 VAL CG1 C 22.230 1.00 1 1005 . 101 VAL HG1 H 1.070 0.05 2 1006 . 101 VAL C C 175.300 1.00 1 1007 . 102 GLU N N 125.635 0.25 1 1008 . 102 GLU H H 8.673 0.05 1 1009 . 102 GLU CA C 58.570 1.00 1 1010 . 102 GLU HA H 4.068 0.05 1 1011 . 102 GLU CB C 30.747 1.00 1 1012 . 102 GLU HB3 H 1.819 0.05 2 1013 . 102 GLU HB2 H 1.942 0.05 2 1014 . 102 GLU C C 176.272 1.00 1 1015 . 103 ASP N N 118.007 0.25 1 1016 . 103 ASP H H 8.537 0.05 1 1017 . 103 ASP CA C 53.750 1.00 1 1018 . 103 ASP HA H 4.755 0.05 1 1019 . 103 ASP CB C 40.725 1.00 1 1020 . 103 ASP HB3 H 2.487 0.05 2 1021 . 103 ASP HB2 H 2.755 0.05 2 1022 . 103 ASP C C 175.775 1.00 1 1023 . 104 SER N N 113.944 0.25 1 1024 . 104 SER H H 7.319 0.05 1 1025 . 104 SER CA C 60.855 1.00 1 1026 . 104 SER HA H 3.975 0.05 1 1027 . 104 SER CB C 65.309 1.00 1 1028 . 104 SER HB3 H 3.657 0.05 1 1029 . 104 SER HB2 H 3.657 0.05 1 1030 . 104 SER C C 174.778 1.00 1 1031 . 105 GLY N N 108.312 0.25 1 1032 . 105 GLY H H 8.537 0.05 1 1033 . 105 GLY CA C 45.635 1.00 1 1034 . 105 GLY HA3 H 3.682 0.05 2 1035 . 105 GLY HA2 H 4.170 0.05 2 1036 . 105 GLY C C 175.399 1.00 1 1037 . 106 CYS N N 119.716 0.25 1 1038 . 106 CYS H H 8.614 0.05 1 1039 . 106 CYS CA C 55.720 1.00 1 1040 . 106 CYS HA H 4.440 0.05 1 1041 . 106 CYS CB C 41.998 1.00 1 1042 . 106 CYS HB3 H 2.520 0.05 2 1043 . 106 CYS HB2 H 2.995 0.05 2 1044 . 106 CYS C C 173.885 1.00 1 1045 . 107 SER N N 121.646 0.25 1 1046 . 107 SER H H 9.934 0.05 1 1047 . 107 SER CA C 58.358 1.00 1 1048 . 107 SER HA H 4.532 0.05 1 1049 . 107 SER CB C 64.788 1.00 1 1050 . 107 SER HB3 H 3.995 0.05 2 1051 . 107 SER HB2 H 4.145 0.05 2 1052 . 107 SER C C 172.758 1.00 1 1053 . 108 SER N N 110.355 0.25 1 1054 . 108 SER H H 7.895 0.05 1 1055 . 108 SER CA C 60.404 1.00 1 1056 . 108 SER HA H 4.293 0.05 1 1057 . 108 SER CB C 64.267 1.00 1 1058 . 108 SER HB3 H 3.998 0.05 2 1059 . 108 SER HB2 H 3.945 0.05 2 1060 . 108 SER C C 174.365 1.00 1 1061 . 109 SER N N 116.183 0.25 1 1062 . 109 SER H H 7.695 0.05 1 1063 . 109 SER CA C 58.570 1.00 1 1064 . 109 SER HA H 4.950 0.05 1 1065 . 109 SER CB C 64.255 1.00 1 1066 . 109 SER HB3 H 3.560 0.05 1 1067 . 109 SER HB2 H 3.560 0.05 1 1068 . 109 SER C C 173.401 1.00 1 1069 . 110 GLU N N 123.400 0.25 1 1070 . 110 GLU H H 8.862 0.05 1 1071 . 110 GLU CA C 53.926 1.00 1 1072 . 110 GLU HA H 4.720 0.05 1 1073 . 110 GLU CB C 35.280 1.00 1 1074 . 110 GLU HB3 H 1.952 0.05 1 1075 . 110 GLU HB2 H 1.952 0.05 1 1076 . 110 GLU C C 174.572 1.00 1 1077 . 111 GLU N N 121.822 0.25 1 1078 . 111 GLU H H 8.897 0.05 1 1079 . 111 GLU CA C 56.496 1.00 1 1080 . 111 GLU HA H 4.537 0.05 1 1081 . 111 GLU CB C 31.320 1.00 1 1082 . 111 GLU HB3 H 1.907 0.05 1 1083 . 111 GLU HB2 H 1.907 0.05 1 1084 . 111 GLU CG C 38.300 1.00 1 1085 . 111 GLU HG3 H 1.925 0.05 2 1086 . 111 GLU HG2 H 2.071 0.05 2 1087 . 111 GLU C C 175.657 1.00 1 1088 . 112 VAL N N 130.650 0.25 1 1089 . 112 VAL H H 9.500 0.05 1 1090 . 112 VAL CA C 61.430 1.00 1 1091 . 112 VAL HA H 4.840 0.05 1 1092 . 112 VAL CB C 33.145 1.00 1 1093 . 112 VAL HB H 1.850 0.05 1 1094 . 112 VAL CG2 C 24.250 1.00 1 1095 . 112 VAL HG2 H 0.082 0.05 2 1096 . 112 VAL CG1 C 24.760 1.00 1 1097 . 112 VAL HG1 H 0.827 0.05 2 1098 . 112 VAL C C 174.674 1.00 1 1099 . 113 SER N N 120.562 0.25 1 1100 . 113 SER H H 8.976 0.05 1 1101 . 113 SER CA C 57.522 1.00 1 1102 . 113 SER HA H 5.040 0.05 1 1103 . 113 SER CB C 65.314 1.00 1 1104 . 113 SER HB3 H 3.779 0.05 1 1105 . 113 SER HB2 H 3.779 0.05 1 1106 . 113 SER C C 173.120 1.00 1 1107 . 114 PHE N N 122.050 0.25 1 1108 . 114 PHE H H 8.823 0.05 1 1109 . 114 PHE CA C 57.012 1.00 1 1110 . 114 PHE HA H 5.060 0.05 1 1111 . 114 PHE CB C 42.525 1.00 1 1112 . 114 PHE HB3 H 2.505 0.05 2 1113 . 114 PHE HB2 H 2.720 0.05 2 1114 . 114 PHE CD1 C 132.900 1.00 1 1115 . 114 PHE HD1 H 6.905 0.05 1 1116 . 114 PHE CD2 C 132.900 1.00 1 1117 . 114 PHE HD2 H 6.905 0.05 1 1118 . 114 PHE C C 175.089 1.00 1 1119 . 115 GLN N N 122.110 0.25 1 1120 . 115 GLN H H 9.085 0.05 1 1121 . 115 GLN CA C 55.973 1.00 1 1122 . 115 GLN HA H 4.805 0.05 1 1123 . 115 GLN CB C 32.530 1.00 1 1124 . 115 GLN HB3 H 2.010 0.05 2 1125 . 115 GLN HB2 H 2.145 0.05 2 1126 . 115 GLN CG C 35.360 1.00 1 1127 . 115 GLN HG3 H 2.315 0.05 1 1128 . 115 GLN HG2 H 2.315 0.05 1 1129 . 115 GLN C C 174.262 1.00 1 1130 . 116 GLY N N 114.534 0.25 1 1131 . 116 GLY H H 8.477 0.05 1 1132 . 116 GLY CA C 46.658 1.00 1 1133 . 116 GLY HA3 H 4.140 0.05 2 1134 . 116 GLY HA2 H 4.725 0.05 2 1135 . 116 GLY C C 174.985 1.00 1 1136 . 117 VAL N N 111.664 0.25 1 1137 . 117 VAL H H 7.618 0.05 1 1138 . 117 VAL CA C 62.900 1.00 1 1139 . 117 VAL HA H 3.745 0.05 1 1140 . 117 VAL CB C 32.330 1.00 1 1141 . 117 VAL HB H 2.100 0.05 1 1142 . 117 VAL CG2 C 21.230 1.00 1 1143 . 117 VAL HG2 H 0.720 0.05 2 1144 . 117 VAL CG1 C 24.760 1.00 1 1145 . 117 VAL HG1 H 0.550 0.05 2 1146 . 117 VAL C C 175.194 1.00 1 1147 . 118 GLY N N 107.000 0.25 1 1148 . 118 GLY H H 8.235 0.05 1 1149 . 118 GLY CA C 45.392 1.00 1 1150 . 118 GLY HA3 H 3.805 0.05 2 1151 . 118 GLY HA2 H 4.387 0.05 2 1152 . 118 GLY C C 173.845 1.00 1 1153 . 119 SER N N 115.523 0.25 1 1154 . 119 SER H H 8.498 0.05 1 1155 . 119 SER CA C 58.577 1.00 1 1156 . 119 SER HA H 4.610 0.05 1 1157 . 119 SER CB C 64.776 1.00 1 1158 . 119 SER HB3 H 3.777 0.05 1 1159 . 119 SER HB2 H 3.777 0.05 1 1160 . 119 SER C C 176.331 1.00 1 1161 . 120 GLY N N 115.300 0.25 1 1162 . 120 GLY H H 8.886 0.05 1 1163 . 120 GLY CA C 46.667 1.00 1 1164 . 120 GLY HA3 H 3.800 0.05 2 1165 . 120 GLY HA2 H 3.980 0.05 2 1166 . 120 GLY C C 174.380 1.00 1 1167 . 121 ALA N N 124.126 0.25 1 1168 . 121 ALA H H 8.187 0.05 1 1169 . 121 ALA CA C 53.389 1.00 1 1170 . 121 ALA HA H 4.755 0.05 1 1171 . 121 ALA CB C 20.780 1.00 1 1172 . 121 ALA HB H 1.412 0.05 1 1173 . 121 ALA C C 177.780 1.00 1 1174 . 122 THR N N 110.096 0.25 1 1175 . 122 THR H H 8.338 0.05 1 1176 . 122 THR CA C 60.641 1.00 1 1177 . 122 THR HA H 4.975 0.05 1 1178 . 122 THR CB C 73.058 1.00 1 1179 . 122 THR HB H 3.950 0.05 1 1180 . 122 THR CG2 C 22.850 1.00 1 1181 . 122 THR HG2 H 1.095 0.05 1 1182 . 122 THR C C 172.500 1.00 1 1183 . 123 LEU N N 124.906 0.25 1 1184 . 123 LEU H H 8.716 0.05 1 1185 . 123 LEU CA C 54.406 1.00 1 1186 . 123 LEU HA H 5.292 0.05 1 1187 . 123 LEU CB C 47.180 1.00 1 1188 . 123 LEU HB3 H 1.046 0.05 2 1189 . 123 LEU HB2 H 1.632 0.05 2 1190 . 123 LEU CG C 28.800 1.00 1 1191 . 123 LEU HG H 1.306 0.05 1 1192 . 123 LEU CD1 C 27.040 1.00 1 1193 . 123 LEU HD1 H 0.630 0.05 1 1194 . 123 LEU CD2 C 27.040 1.00 1 1195 . 123 LEU HD2 H 0.630 0.05 1 1196 . 123 LEU C C 174.881 1.00 1 1197 . 124 VAL N N 124.940 0.25 1 1198 . 124 VAL H H 8.691 0.05 1 1199 . 124 VAL CA C 61.153 1.00 1 1200 . 124 VAL HA H 4.805 0.05 1 1201 . 124 VAL CB C 36.900 1.00 1 1202 . 124 VAL HB H 1.910 0.05 1 1203 . 124 VAL CG2 C 22.500 1.00 1 1204 . 124 VAL HG2 H 0.910 0.05 1 1205 . 124 VAL CG1 C 22.500 1.00 1 1206 . 124 VAL HG1 H 0.910 0.05 1 1207 . 124 VAL C C 174.430 1.00 1 1208 . 125 VAL N N 127.516 0.25 1 1209 . 125 VAL H H 8.469 0.05 1 1210 . 125 VAL CA C 61.672 1.00 1 1211 . 125 VAL HA H 5.049 0.05 1 1212 . 125 VAL CB C 35.100 1.00 1 1213 . 125 VAL HB H 1.950 0.05 1 1214 . 125 VAL CG2 C 22.030 1.00 1 1215 . 125 VAL HG2 H 0.945 0.05 1 1216 . 125 VAL CG1 C 22.030 1.00 1 1217 . 125 VAL HG1 H 0.945 0.05 1 1218 . 125 VAL C C 175.916 1.00 1 1219 . 126 THR N N 119.720 0.25 1 1220 . 126 THR H H 9.833 0.05 1 1221 . 126 THR CA C 60.631 1.00 1 1222 . 126 THR HA H 4.755 0.05 1 1223 . 126 THR CB C 72.403 1.00 1 1224 . 126 THR HB H 4.170 0.05 1 1225 . 126 THR CG2 C 22.500 1.00 1 1226 . 126 THR HG2 H 1.100 0.05 1 1227 . 126 THR C C 173.485 1.00 1 1228 . 127 THR N N 116.515 0.25 1 1229 . 127 THR H H 8.347 0.05 1 1230 . 127 THR CA C 63.467 1.00 1 1231 . 127 THR HA H 4.385 0.05 1 1232 . 127 THR CB C 70.218 1.00 1 1233 . 127 THR HB H 4.045 0.05 1 1234 . 127 THR CG2 C 23.240 1.00 1 1235 . 127 THR HG2 H 1.255 0.05 1 1236 . 127 THR C C 174.262 1.00 1 1237 . 128 LEU N N 126.190 0.25 1 1238 . 128 LEU H H 8.160 0.05 1 1239 . 128 LEU CA C 56.800 1.00 1 1240 . 128 LEU HA H 3.943 0.05 1 1241 . 128 LEU CB C 42.728 1.00 1 1242 . 128 LEU HB3 H 1.240 0.05 2 1243 . 128 LEU HB2 H 1.455 0.05 2 1244 . 128 LEU CG C 27.800 1.00 1 1245 . 128 LEU HG H 1.339 0.05 1 1246 . 128 LEU CD1 C 25.700 1.00 1 1247 . 128 LEU HD1 H 0.710 0.05 1 1248 . 128 LEU CD2 C 25.700 1.00 1 1249 . 128 LEU HD2 H 0.710 0.05 1 1250 . 128 LEU C C 177.471 1.00 1 1251 . 129 GLY N N 111.646 0.25 1 1252 . 129 GLY H H 8.306 0.05 1 1253 . 129 GLY CA C 45.625 1.00 1 1254 . 129 GLY HA3 H 3.780 0.05 2 1255 . 129 GLY HA2 H 3.950 0.05 2 1256 . 129 GLY C C 173.950 1.00 1 1257 . 130 GLU N N 120.540 0.25 1 1258 . 130 GLU H H 7.898 0.05 1 1259 . 130 GLU CA C 56.500 1.00 1 1260 . 130 GLU HA H 4.243 0.05 1 1261 . 130 GLU CB C 31.134 1.00 1 1262 . 130 GLU HB3 H 1.852 0.05 2 1263 . 130 GLU HB2 H 1.974 0.05 2 1264 . 130 GLU CG C 37.300 1.00 1 1265 . 130 GLU HG3 H 2.170 0.05 1 1266 . 130 GLU HG2 H 2.170 0.05 1 1267 . 130 GLU C C 176.174 1.00 1 1268 . 131 SER N N 118.300 0.25 1 1269 . 131 SER H H 8.339 0.05 1 1270 . 131 SER CA C 56.231 1.00 1 1271 . 131 SER CB C 63.749 1.00 1 1272 . 131 SER C C 173.135 1.00 1 1273 . 132 PRO CA C 64.078 1.00 1 1274 . 132 PRO HA H 4.415 0.05 1 1275 . 132 PRO CB C 33.200 1.00 1 1276 . 132 PRO HB3 H 1.875 0.05 2 1277 . 132 PRO HB2 H 2.218 0.05 2 1278 . 132 PRO CG C 28.600 1.00 1 1279 . 132 PRO HG3 H 1.924 0.05 1 1280 . 132 PRO HG2 H 1.924 0.05 1 1281 . 132 PRO CD C 51.520 1.00 1 1282 . 132 PRO HD3 H 3.682 0.05 2 1283 . 132 PRO HD2 H 3.755 0.05 2 1284 . 132 PRO C C 177.105 1.00 1 1285 . 133 THR N N 133.117 0.25 1 1286 . 133 THR H H 7.942 0.05 1 1287 . 133 THR CA C 62.706 1.00 1 1288 . 133 THR HA H 4.188 0.05 1 1289 . 133 THR CB C 69.976 1.00 1 1290 . 133 THR HB H 4.122 0.05 1 1291 . 133 THR CG2 C 22.700 1.00 1 1292 . 133 THR HG2 H 1.120 0.05 1 1293 . 133 THR C C 174.408 1.00 1 1294 . 134 ALA N N 126.086 0.25 1 1295 . 134 ALA H H 8.065 0.05 1 1296 . 134 ALA CA C 53.384 1.00 1 1297 . 134 ALA HA H 4.230 0.05 1 1298 . 134 ALA CB C 19.990 1.00 1 1299 . 134 ALA HB H 1.315 0.05 1 1300 . 134 ALA C C 177.830 1.00 1 1301 . 135 VAL N N 118.170 0.25 1 1302 . 135 VAL H H 7.905 0.05 1 1303 . 135 VAL CA C 63.225 1.00 1 1304 . 135 VAL HA H 3.975 0.05 1 1305 . 135 VAL CB C 33.208 1.00 1 1306 . 135 VAL HB H 1.990 0.05 1 1307 . 135 VAL CG2 C 22.200 1.00 1 1308 . 135 VAL HG2 H 0.850 0.05 1 1309 . 135 VAL CG1 C 22.200 1.00 1 1310 . 135 VAL HG1 H 0.850 0.05 1 1311 . 135 VAL C C 176.434 1.00 1 1312 . 136 SER N N 118.425 0.25 1 1313 . 136 SER H H 8.126 0.05 1 1314 . 136 SER CA C 59.085 1.00 1 1315 . 136 SER HA H 4.317 0.05 1 1316 . 136 SER CB C 64.264 1.00 1 1317 . 136 SER HB3 H 3.785 0.05 1 1318 . 136 SER HB2 H 3.785 0.05 1 1319 . 136 SER C C 174.572 1.00 1 1320 . 137 ALA N N 125.670 0.25 1 1321 . 137 ALA H H 8.143 0.05 1 1322 . 137 ALA CA C 53.383 1.00 1 1323 . 137 ALA HA H 4.230 0.05 1 1324 . 137 ALA CB C 19.754 1.00 1 1325 . 137 ALA HB H 1.315 0.05 1 1326 . 137 ALA C C 177.715 1.00 1 stop_ save_