data_15802 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments of a RNA binding protein GSP13 from Bacillus subtilis ; _BMRB_accession_number 15802 _BMRB_flat_file_name bmr15802.str _Entry_type original _Submission_date 2008-06-11 _Accession_date 2008-06-11 _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 Yu Wenyu . . 2 Yu Bingke . . 3 Hu Jicheng . . 4 Jin Changwen . . 5 Xia Bin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 736 "13C chemical shifts" 525 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'add PubMed ID' 2008-12-03 update BMRB 'complete entry citation' 2008-07-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N resonance assignments of a general stress protein GSP13 from Bacillus subtilis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636895 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yu Wenyu . . 2 Yu Bingke . . 3 Hu Jicheng . . 4 Xia Wei . . 5 Jin Changwen . . 6 Xia Bin . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 2 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 163 _Page_last 165 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'general stress protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GSP13 $GSP13 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_GSP13 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GSP13 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; MAAKFEVGSVYTGKVTGLQA YGAFVALDEETQGLVHISEV THGFVKDINEHLSVGDEVQV KVLAVDEEKGKISLSIRATQ AAPEKKESKPRKPKAAQVSE EASTPQGFNTLKDKLEEWIE MSNRKDLIKK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ALA 4 LYS 5 PHE 6 GLU 7 VAL 8 GLY 9 SER 10 VAL 11 TYR 12 THR 13 GLY 14 LYS 15 VAL 16 THR 17 GLY 18 LEU 19 GLN 20 ALA 21 TYR 22 GLY 23 ALA 24 PHE 25 VAL 26 ALA 27 LEU 28 ASP 29 GLU 30 GLU 31 THR 32 GLN 33 GLY 34 LEU 35 VAL 36 HIS 37 ILE 38 SER 39 GLU 40 VAL 41 THR 42 HIS 43 GLY 44 PHE 45 VAL 46 LYS 47 ASP 48 ILE 49 ASN 50 GLU 51 HIS 52 LEU 53 SER 54 VAL 55 GLY 56 ASP 57 GLU 58 VAL 59 GLN 60 VAL 61 LYS 62 VAL 63 LEU 64 ALA 65 VAL 66 ASP 67 GLU 68 GLU 69 LYS 70 GLY 71 LYS 72 ILE 73 SER 74 LEU 75 SER 76 ILE 77 ARG 78 ALA 79 THR 80 GLN 81 ALA 82 ALA 83 PRO 84 GLU 85 LYS 86 LYS 87 GLU 88 SER 89 LYS 90 PRO 91 ARG 92 LYS 93 PRO 94 LYS 95 ALA 96 ALA 97 GLN 98 VAL 99 SER 100 GLU 101 GLU 102 ALA 103 SER 104 THR 105 PRO 106 GLN 107 GLY 108 PHE 109 ASN 110 THR 111 LEU 112 LYS 113 ASP 114 LYS 115 LEU 116 GLU 117 GLU 118 TRP 119 ILE 120 GLU 121 MET 122 SER 123 ASN 124 ARG 125 LYS 126 ASP 127 LEU 128 ILE 129 LYS 130 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-16 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 2K4K "Solution Structure Of Gsp13 From Bacillus Subtilis" 100.00 130 100.00 100.00 2.11e-87 DBJ BAI86662 "general stress protein 13 [Bacillus subtilis subsp. natto BEST195]" 100.00 130 100.00 100.00 2.11e-87 DBJ BAM55208 "general stress protein 13 [Bacillus subtilis BEST7613]" 100.00 130 100.00 100.00 2.11e-87 DBJ BAM59221 "general stress protein 13 [Bacillus subtilis BEST7003]" 100.00 130 100.00 100.00 2.11e-87 DBJ GAK80090 "general stress protein 13 [Bacillus subtilis Miyagi-4]" 100.00 130 100.00 100.00 2.11e-87 EMBL CAB07921 "unknown [Bacillus subtilis subsp. subtilis str. 168]" 100.00 130 100.00 100.00 2.11e-87 EMBL CAB15128 "putative RNA degradation protein; putative phosphorylase or nucleotidyl transferase [Bacillus subtilis subsp. subtilis str. 168" 100.00 130 100.00 100.00 2.11e-87 EMBL CBI44065 "putative RNA degradation protein; putative phosphorylase or nucleotidyl transferase [Bacillus amyloliquefaciens DSM 7]" 100.00 130 96.92 98.46 6.38e-85 EMBL CCU60178 "General stress protein 13 [Bacillus subtilis E1]" 100.00 130 100.00 100.00 2.11e-87 EMBL CEI58372 "general stress protein 13 [Bacillus subtilis]" 100.00 130 100.00 100.00 2.11e-87 GB ADM39092 "putative RNA degradation protein; putative phosphorylase or nucleotidyl transferase [Bacillus subtilis subsp. spizizenii str. W" 100.00 130 99.23 99.23 9.95e-87 GB ADV93943 "general stress protein 13 [Bacillus subtilis BSn5]" 100.00 130 100.00 100.00 2.11e-87 GB AEB25277 "general stress protein 13 [Bacillus amyloliquefaciens TA208]" 100.00 130 96.92 98.46 6.38e-85 GB AEB64738 "putative RNA degradation protein; putative phosphorylase or nucleotidyl transferase [Bacillus amyloliquefaciens LL3]" 100.00 130 96.92 98.46 6.38e-85 GB AEK90308 "general stress protein 13 [Bacillus amyloliquefaciens XH7]" 100.00 130 96.92 98.46 6.38e-85 REF NP_391017 "general stress protein 13 [Bacillus subtilis subsp. subtilis str. 168]" 100.00 130 100.00 100.00 2.11e-87 REF WP_003220769 "MULTISPECIES: general stress protein 13 [Bacillus]" 100.00 130 99.23 99.23 9.95e-87 REF WP_003228864 "MULTISPECIES: general stress protein 13 [Bacillales]" 100.00 130 100.00 100.00 2.11e-87 REF WP_010331658 "general stress protein 13 [Bacillus mojavensis]" 100.00 130 98.46 99.23 3.77e-86 REF WP_013353366 "MULTISPECIES: general stress protein [Bacillus subtilis group]" 100.00 130 96.92 98.46 6.38e-85 SP P80870 "RecName: Full=General stress protein 13; Short=GSP13" 100.00 130 100.00 100.00 2.11e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GSP13 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 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 $GSP13 'recombinant technology' . Escherichia coli . pET-21a 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 $GSP13 1 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GSP13 1 mM '[U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 0.07 . M pH 7.0 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0 internal indirect . . . . DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . . 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 HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-13C NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GSP13 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HA H 4.070 . 1 2 2 2 ALA HB H 1.470 . 1 3 2 2 ALA CA C 52.067 . 1 4 2 2 ALA CB C 19.577 . 1 5 3 3 ALA H H 8.714 . 1 6 3 3 ALA HA H 4.253 . 1 7 3 3 ALA HB H 1.299 . 1 8 3 3 ALA C C 173.672 . 1 9 3 3 ALA CA C 52.067 . 1 10 3 3 ALA CB C 19.577 . 1 11 3 3 ALA N N 124.480 . 1 12 4 4 LYS H H 8.227 . 1 13 4 4 LYS HA H 3.976 . 1 14 4 4 LYS HB2 H 1.308 . 2 15 4 4 LYS HB3 H 1.403 . 2 16 4 4 LYS HD2 H 1.530 . 2 17 4 4 LYS HD3 H 1.530 . 2 18 4 4 LYS HE2 H 2.850 . 2 19 4 4 LYS HE3 H 2.850 . 2 20 4 4 LYS HG2 H 0.810 . 2 21 4 4 LYS HG3 H 1.120 . 2 22 4 4 LYS C C 176.672 . 1 23 4 4 LYS CA C 57.274 . 1 24 4 4 LYS CB C 33.209 . 1 25 4 4 LYS CD C 29.230 . 1 26 4 4 LYS CE C 42.070 . 1 27 4 4 LYS CG C 24.740 . 1 28 4 4 LYS N N 120.988 . 1 29 5 5 PHE H H 7.719 . 1 30 5 5 PHE HA H 4.384 . 1 31 5 5 PHE HB2 H 2.487 . 2 32 5 5 PHE HB3 H 2.356 . 2 33 5 5 PHE HD1 H 6.967 . 3 34 5 5 PHE C C 175.364 . 1 35 5 5 PHE CA C 57.074 . 1 36 5 5 PHE CB C 39.669 . 1 37 5 5 PHE N N 119.246 . 1 38 6 6 GLU H H 8.515 . 1 39 6 6 GLU HA H 4.370 . 1 40 6 6 GLU HB2 H 1.970 . 2 41 6 6 GLU HB3 H 1.970 . 2 42 6 6 GLU HG2 H 2.220 . 2 43 6 6 GLU HG3 H 2.220 . 2 44 6 6 GLU CA C 55.669 . 1 45 6 6 GLU CB C 32.094 . 1 46 6 6 GLU CG C 34.050 . 1 47 6 6 GLU N N 122.193 . 1 48 7 7 VAL H H 8.636 . 1 49 7 7 VAL HA H 3.406 . 1 50 7 7 VAL HB H 1.960 . 1 51 7 7 VAL HG1 H 1.050 . 2 52 7 7 VAL HG2 H 0.910 . 2 53 7 7 VAL C C 176.611 . 1 54 7 7 VAL CA C 65.358 . 1 55 7 7 VAL CB C 31.391 . 1 56 7 7 VAL CG1 C 23.350 . 1 57 7 7 VAL CG2 C 21.240 . 1 58 7 7 VAL N N 122.949 . 1 59 8 8 GLY H H 9.394 . 1 60 8 8 GLY HA2 H 3.600 . 2 61 8 8 GLY HA3 H 4.546 . 2 62 8 8 GLY C C 178.074 . 1 63 8 8 GLY CA C 45.121 . 1 64 8 8 GLY N N 116.837 . 1 65 9 9 SER H H 8.021 . 1 66 9 9 SER HA H 4.680 . 1 67 9 9 SER HB2 H 3.620 . 2 68 9 9 SER HB3 H 4.320 . 2 69 9 9 SER C C 174.234 . 1 70 9 9 SER CA C 59.387 . 1 71 9 9 SER CB C 65.584 . 1 72 9 9 SER N N 118.208 . 1 73 10 10 VAL H H 7.945 . 1 74 10 10 VAL HA H 4.980 . 1 75 10 10 VAL HB H 1.708 . 1 76 10 10 VAL HG1 H 0.800 . 2 77 10 10 VAL HG2 H 0.800 . 2 78 10 10 VAL C C 171.388 . 1 79 10 10 VAL CA C 61.021 . 1 80 10 10 VAL CB C 33.400 . 1 81 10 10 VAL CG1 C 21.840 . 1 82 10 10 VAL CG2 C 21.840 . 1 83 10 10 VAL N N 121.118 . 1 84 11 11 TYR H H 9.008 . 1 85 11 11 TYR HA H 4.850 . 1 86 11 11 TYR HB2 H 2.150 . 2 87 11 11 TYR HB3 H 3.467 . 2 88 11 11 TYR HD1 H 7.160 . 3 89 11 11 TYR C C 174.926 . 1 90 11 11 TYR CA C 56.803 . 1 91 11 11 TYR CB C 43.676 . 1 92 11 11 TYR N N 125.043 . 1 93 12 12 THR H H 8.809 . 1 94 12 12 THR HA H 5.020 . 1 95 12 12 THR HB H 4.080 . 1 96 12 12 THR HG2 H 1.220 . 1 97 12 12 THR C C 174.195 . 1 98 12 12 THR CA C 62.487 . 1 99 12 12 THR CB C 69.743 . 1 100 12 12 THR CG2 C 22.200 . 1 101 12 12 THR N N 116.850 . 1 102 13 13 GLY H H 9.179 . 1 103 13 13 GLY HA2 H 3.250 . 2 104 13 13 GLY HA3 H 4.801 . 2 105 13 13 GLY C C 174.654 . 1 106 13 13 GLY CA C 44.377 . 1 107 13 13 GLY N N 113.654 . 1 108 14 14 LYS H H 7.770 . 1 109 14 14 LYS HA H 5.426 . 1 110 14 14 LYS HB2 H 1.630 . 2 111 14 14 LYS HB3 H 1.630 . 2 112 14 14 LYS HD2 H 1.660 . 2 113 14 14 LYS HD3 H 1.660 . 2 114 14 14 LYS HE2 H 2.950 . 2 115 14 14 LYS HE3 H 2.950 . 2 116 14 14 LYS HG2 H 1.250 . 2 117 14 14 LYS HG3 H 1.330 . 2 118 14 14 LYS C C 171.343 . 1 119 14 14 LYS CA C 53.879 . 1 120 14 14 LYS CB C 36.032 . 1 121 14 14 LYS CD C 29.310 . 1 122 14 14 LYS CE C 41.910 . 1 123 14 14 LYS CG C 24.660 . 1 124 14 14 LYS N N 118.322 . 1 125 15 15 VAL H H 9.206 . 1 126 15 15 VAL HA H 4.400 . 1 127 15 15 VAL HB H 2.409 . 1 128 15 15 VAL HG1 H 0.866 . 2 129 15 15 VAL HG2 H 1.026 . 2 130 15 15 VAL C C 176.306 . 1 131 15 15 VAL CA C 63.648 . 1 132 15 15 VAL CB C 31.769 . 1 133 15 15 VAL CG1 C 22.800 . 1 134 15 15 VAL CG2 C 23.366 . 1 135 15 15 VAL N N 125.308 . 1 136 16 16 THR H H 9.403 . 1 137 16 16 THR HA H 4.562 . 1 138 16 16 THR HB H 4.305 . 1 139 16 16 THR HG2 H 1.210 . 1 140 16 16 THR C C 178.098 . 1 141 16 16 THR CA C 62.018 . 1 142 16 16 THR CB C 69.720 . 1 143 16 16 THR CG2 C 23.090 . 1 144 16 16 THR N N 121.753 . 1 145 17 17 GLY H H 7.600 . 1 146 17 17 GLY HA2 H 4.110 . 2 147 17 17 GLY HA3 H 4.250 . 2 148 17 17 GLY C C 175.551 . 1 149 17 17 GLY CA C 46.258 . 1 150 17 17 GLY N N 109.407 . 1 151 18 18 LEU H H 8.820 . 1 152 18 18 LEU HA H 4.852 . 1 153 18 18 LEU HB2 H 1.250 . 2 154 18 18 LEU HB3 H 1.680 . 2 155 18 18 LEU HD1 H 0.760 . 2 156 18 18 LEU HD2 H 0.800 . 2 157 18 18 LEU HG H 1.350 . 1 158 18 18 LEU CA C 54.245 . 1 159 18 18 LEU CB C 44.906 . 1 160 18 18 LEU CD1 C 25.160 . 1 161 18 18 LEU CD2 C 26.530 . 1 162 18 18 LEU CG C 26.840 . 1 163 18 18 LEU N N 123.419 . 1 164 19 19 GLN H H 8.537 . 1 165 19 19 GLN HA H 4.520 . 1 166 19 19 GLN HB2 H 1.000 . 2 167 19 19 GLN HB3 H 1.850 . 2 168 19 19 GLN HE21 H 7.220 . 2 169 19 19 GLN HE22 H 6.802 . 2 170 19 19 GLN HG2 H 2.250 . 2 171 19 19 GLN HG3 H 2.080 . 2 172 19 19 GLN C C 175.258 . 1 173 19 19 GLN CA C 53.269 . 1 174 19 19 GLN CB C 31.522 . 1 175 19 19 GLN CG C 32.900 . 1 176 19 19 GLN N N 120.187 . 1 177 19 19 GLN NE2 N 111.658 . 1 178 20 20 ALA H H 8.798 . 1 179 20 20 ALA HA H 4.010 . 1 180 20 20 ALA HB H 1.372 . 1 181 20 20 ALA C C 175.698 . 1 182 20 20 ALA CA C 55.084 . 1 183 20 20 ALA CB C 18.277 . 1 184 20 20 ALA N N 120.606 . 1 185 21 21 TYR H H 6.618 . 1 186 21 21 TYR HA H 4.540 . 1 187 21 21 TYR HB2 H 2.910 . 2 188 21 21 TYR HB3 H 3.370 . 2 189 21 21 TYR HD1 H 7.032 . 3 190 21 21 TYR C C 178.437 . 1 191 21 21 TYR CA C 55.120 . 1 192 21 21 TYR CB C 37.891 . 1 193 21 21 TYR N N 105.570 . 1 194 22 22 GLY H H 7.203 . 1 195 22 22 GLY HA2 H 3.460 . 2 196 22 22 GLY HA3 H 4.360 . 2 197 22 22 GLY C C 175.833 . 1 198 22 22 GLY CA C 46.356 . 1 199 22 22 GLY N N 109.854 . 1 200 23 23 ALA H H 8.549 . 1 201 23 23 ALA HA H 4.981 . 1 202 23 23 ALA HB H 1.056 . 1 203 23 23 ALA C C 168.810 . 1 204 23 23 ALA CA C 49.178 . 1 205 23 23 ALA CB C 22.797 . 1 206 23 23 ALA N N 118.749 . 1 207 24 24 PHE H H 8.812 . 1 208 24 24 PHE HA H 5.125 . 1 209 24 24 PHE HB2 H 2.680 . 2 210 24 24 PHE HB3 H 2.890 . 2 211 24 24 PHE HD1 H 6.972 . 3 212 24 24 PHE CA C 58.017 . 1 213 24 24 PHE CB C 40.475 . 1 214 24 24 PHE N N 122.891 . 1 215 25 25 VAL H H 8.880 . 1 216 25 25 VAL HA H 4.660 . 1 217 25 25 VAL HB H 1.460 . 1 218 25 25 VAL HG1 H 0.640 . 2 219 25 25 VAL HG2 H 0.450 . 2 220 25 25 VAL CA C 60.379 . 1 221 25 25 VAL CB C 35.654 . 1 222 25 25 VAL CG1 C 22.080 . 1 223 25 25 VAL CG2 C 20.940 . 1 224 25 25 VAL N N 122.908 . 1 225 26 26 ALA H H 9.403 . 1 226 26 26 ALA HA H 4.750 . 1 227 26 26 ALA HB H 1.370 . 1 228 26 26 ALA C C 174.445 . 1 229 26 26 ALA CA C 51.711 . 1 230 26 26 ALA CB C 19.319 . 1 231 26 26 ALA N N 129.425 . 1 232 27 27 LEU H H 8.601 . 1 233 27 27 LEU HA H 4.158 . 1 234 27 27 LEU HB2 H 0.519 . 2 235 27 27 LEU HB3 H 0.590 . 2 236 27 27 LEU HD1 H -0.080 . 2 237 27 27 LEU HD2 H 0.260 . 2 238 27 27 LEU HG H 1.050 . 1 239 27 27 LEU C C 177.814 . 1 240 27 27 LEU CA C 55.869 . 1 241 27 27 LEU CB C 42.251 . 1 242 27 27 LEU CD1 C 24.690 . 1 243 27 27 LEU CD2 C 22.190 . 1 244 27 27 LEU CG C 26.430 . 1 245 27 27 LEU N N 127.169 . 1 246 28 28 ASP H H 8.172 . 1 247 28 28 ASP HA H 4.420 . 1 248 28 28 ASP HB2 H 3.270 . 2 249 28 28 ASP HB3 H 3.338 . 2 250 28 28 ASP C C 177.116 . 1 251 28 28 ASP CA C 53.755 . 1 252 28 28 ASP CB C 39.833 . 1 253 28 28 ASP N N 115.657 . 1 254 29 29 GLU H H 8.857 . 1 255 29 29 GLU HA H 4.090 . 1 256 29 29 GLU HB2 H 2.040 . 2 257 29 29 GLU HB3 H 2.130 . 2 258 29 29 GLU HG2 H 2.360 . 2 259 29 29 GLU HG3 H 2.360 . 2 260 29 29 GLU C C 175.965 . 1 261 29 29 GLU CA C 59.470 . 1 262 29 29 GLU CB C 29.409 . 1 263 29 29 GLU CG C 36.710 . 1 264 29 29 GLU N N 114.738 . 1 265 30 30 GLU H H 8.326 . 1 266 30 30 GLU HA H 4.640 . 1 267 30 30 GLU HB2 H 2.000 . 2 268 30 30 GLU HB3 H 2.140 . 2 269 30 30 GLU HG2 H 2.200 . 2 270 30 30 GLU HG3 H 2.200 . 2 271 30 30 GLU C C 176.817 . 1 272 30 30 GLU CA C 56.073 . 1 273 30 30 GLU CB C 32.453 . 1 274 30 30 GLU CG C 36.790 . 1 275 30 30 GLU N N 115.753 . 1 276 31 31 THR H H 7.819 . 1 277 31 31 THR HA H 4.484 . 1 278 31 31 THR HB H 3.640 . 1 279 31 31 THR HG2 H 1.000 . 1 280 31 31 THR C C 176.330 . 1 281 31 31 THR CA C 63.398 . 1 282 31 31 THR CB C 69.367 . 1 283 31 31 THR CG2 C 21.670 . 1 284 31 31 THR N N 118.750 . 1 285 32 32 GLN H H 8.913 . 1 286 32 32 GLN HA H 5.337 . 1 287 32 32 GLN HB2 H 2.020 . 2 288 32 32 GLN HB3 H 1.950 . 2 289 32 32 GLN HE21 H 7.378 . 2 290 32 32 GLN HE22 H 6.518 . 2 291 32 32 GLN HG2 H 2.210 . 2 292 32 32 GLN HG3 H 2.210 . 2 293 32 32 GLN C C 173.087 . 1 294 32 32 GLN CA C 54.051 . 1 295 32 32 GLN CB C 32.672 . 1 296 32 32 GLN CG C 34.080 . 1 297 32 32 GLN N N 127.294 . 1 298 32 32 GLN NE2 N 111.247 . 1 299 33 33 GLY H H 8.900 . 1 300 33 33 GLY HA2 H 3.290 . 2 301 33 33 GLY HA3 H 4.530 . 2 302 33 33 GLY C C 174.918 . 1 303 33 33 GLY CA C 44.534 . 1 304 33 33 GLY N N 107.639 . 1 305 34 34 LEU H H 8.127 . 1 306 34 34 LEU HA H 4.950 . 1 307 34 34 LEU HB2 H 1.300 . 2 308 34 34 LEU HB3 H 1.863 . 2 309 34 34 LEU HD1 H 0.810 . 2 310 34 34 LEU HD2 H 0.080 . 2 311 34 34 LEU HG H 1.103 . 1 312 34 34 LEU CA C 53.755 . 1 313 34 34 LEU CB C 45.493 . 1 314 34 34 LEU CD1 C 25.710 . 1 315 34 34 LEU CD2 C 21.881 . 1 316 34 34 LEU CG C 27.920 . 1 317 34 34 LEU N N 120.897 . 1 318 35 35 VAL H H 9.386 . 1 319 35 35 VAL HA H 4.479 . 1 320 35 35 VAL HB H 2.057 . 1 321 35 35 VAL HG1 H 0.763 . 2 322 35 35 VAL HG2 H 0.940 . 2 323 35 35 VAL C C 176.402 . 1 324 35 35 VAL CA C 59.594 . 1 325 35 35 VAL CB C 32.590 . 1 326 35 35 VAL CG1 C 22.450 . 1 327 35 35 VAL CG2 C 20.860 . 1 328 35 35 VAL N N 128.897 . 1 329 36 36 HIS H H 9.194 . 1 330 36 36 HIS HA H 4.487 . 1 331 36 36 HIS HB2 H 2.846 . 2 332 36 36 HIS HB3 H 3.330 . 2 333 36 36 HIS C C 174.864 . 1 334 36 36 HIS CA C 59.426 . 1 335 36 36 HIS CB C 31.542 . 1 336 36 36 HIS N N 127.751 . 1 337 37 37 ILE H H 7.454 . 1 338 37 37 ILE HA H 3.810 . 1 339 37 37 ILE HB H 1.231 . 1 340 37 37 ILE HD1 H 0.810 . 1 341 37 37 ILE HG12 H 1.180 . 1 342 37 37 ILE HG13 H 1.180 . 1 343 37 37 ILE HG2 H 0.670 . 2 344 37 37 ILE C C 176.948 . 1 345 37 37 ILE CA C 63.773 . 1 346 37 37 ILE CB C 38.993 . 1 347 37 37 ILE CD1 C 14.950 . 1 348 37 37 ILE CG1 C 28.840 . 2 349 37 37 ILE CG2 C 15.760 . 1 350 37 37 ILE N N 126.266 . 1 351 38 38 SER H H 8.343 . 1 352 38 38 SER HA H 4.370 . 1 353 38 38 SER HB2 H 4.150 . 2 354 38 38 SER HB3 H 4.150 . 2 355 38 38 SER C C 174.792 . 1 356 38 38 SER CA C 60.567 . 1 357 38 38 SER CB C 63.632 . 1 358 38 38 SER N N 118.079 . 1 359 39 39 GLU H H 8.536 . 1 360 39 39 GLU HA H 4.503 . 1 361 39 39 GLU HB2 H 2.928 . 2 362 39 39 GLU HB3 H 2.928 . 2 363 39 39 GLU HG2 H 2.350 . 2 364 39 39 GLU HG3 H 2.350 . 2 365 39 39 GLU C C 175.131 . 1 366 39 39 GLU CA C 54.928 . 1 367 39 39 GLU CB C 29.621 . 1 368 39 39 GLU CG C 34.210 . 1 369 39 39 GLU N N 118.349 . 1 370 40 40 VAL H H 7.776 . 1 371 40 40 VAL HA H 3.616 . 1 372 40 40 VAL HB H 1.960 . 1 373 40 40 VAL HG1 H 0.917 . 2 374 40 40 VAL HG2 H 0.680 . 2 375 40 40 VAL C C 177.277 . 1 376 40 40 VAL CA C 66.245 . 1 377 40 40 VAL CB C 32.590 . 1 378 40 40 VAL CG1 C 24.010 . 1 379 40 40 VAL CG2 C 21.350 . 1 380 40 40 VAL N N 125.443 . 1 381 41 41 THR H H 7.888 . 1 382 41 41 THR HA H 4.345 . 1 383 41 41 THR HB H 3.935 . 1 384 41 41 THR HG2 H 0.570 . 1 385 41 41 THR C C 173.492 . 1 386 41 41 THR CA C 59.047 . 1 387 41 41 THR CB C 68.992 . 1 388 41 41 THR CG2 C 18.200 . 1 389 41 41 THR N N 109.905 . 1 390 42 42 HIS H H 8.063 . 1 391 42 42 HIS HA H 4.510 . 1 392 42 42 HIS HB2 H 2.990 . 2 393 42 42 HIS HB3 H 3.110 . 2 394 42 42 HIS C C 172.139 . 1 395 42 42 HIS CA C 57.735 . 1 396 42 42 HIS CB C 31.144 . 1 397 42 42 HIS N N 121.760 . 1 398 43 43 GLY H H 8.286 . 1 399 43 43 GLY HA2 H 3.980 . 2 400 43 43 GLY HA3 H 3.980 . 2 401 43 43 GLY C C 176.307 . 1 402 43 43 GLY CA C 44.336 . 1 403 43 43 GLY N N 110.133 . 1 404 44 44 PHE H H 8.327 . 1 405 44 44 PHE HA H 4.489 . 1 406 44 44 PHE HB2 H 3.060 . 2 407 44 44 PHE HB3 H 2.908 . 2 408 44 44 PHE HD1 H 7.203 . 3 409 44 44 PHE C C 171.877 . 1 410 44 44 PHE CA C 58.027 . 1 411 44 44 PHE CB C 39.850 . 1 412 44 44 PHE N N 120.049 . 1 413 45 45 VAL H H 7.939 . 1 414 45 45 VAL HA H 3.865 . 1 415 45 45 VAL HB H 1.657 . 1 416 45 45 VAL HG1 H 0.445 . 2 417 45 45 VAL HG2 H 0.578 . 2 418 45 45 VAL C C 175.523 . 1 419 45 45 VAL CA C 61.536 . 1 420 45 45 VAL CB C 33.127 . 1 421 45 45 VAL CG1 C 21.270 . 1 422 45 45 VAL CG2 C 21.270 . 1 423 45 45 VAL N N 127.882 . 1 424 46 46 LYS H H 8.868 . 1 425 46 46 LYS HA H 4.170 . 1 426 46 46 LYS HB2 H 1.840 . 2 427 46 46 LYS HB3 H 1.840 . 2 428 46 46 LYS HD2 H 1.670 . 2 429 46 46 LYS HD3 H 1.670 . 2 430 46 46 LYS HE2 H 2.970 . 2 431 46 46 LYS HE3 H 2.970 . 2 432 46 46 LYS HG2 H 1.450 . 2 433 46 46 LYS HG3 H 1.450 . 2 434 46 46 LYS C C 175.728 . 1 435 46 46 LYS CA C 57.198 . 1 436 46 46 LYS CB C 33.299 . 1 437 46 46 LYS CD C 29.070 . 1 438 46 46 LYS CE C 42.020 . 1 439 46 46 LYS CG C 24.760 . 1 440 46 46 LYS N N 127.308 . 1 441 47 47 ASP H H 7.652 . 1 442 47 47 ASP HA H 4.710 . 1 443 47 47 ASP HB2 H 2.640 . 2 444 47 47 ASP HB3 H 2.700 . 2 445 47 47 ASP C C 176.411 . 1 446 47 47 ASP CA C 53.390 . 1 447 47 47 ASP CB C 42.635 . 1 448 47 47 ASP N N 117.932 . 1 449 48 48 ILE H H 9.230 . 1 450 48 48 ILE HA H 3.579 . 1 451 48 48 ILE HB H 1.716 . 1 452 48 48 ILE HD1 H 0.710 . 1 453 48 48 ILE HG12 H 1.390 . 1 454 48 48 ILE HG13 H 1.390 . 1 455 48 48 ILE HG2 H 0.880 . 2 456 48 48 ILE C C 177.249 . 1 457 48 48 ILE CA C 65.525 . 1 458 48 48 ILE CB C 38.797 . 1 459 48 48 ILE CD1 C 14.330 . 1 460 48 48 ILE CG1 C 29.950 . 2 461 48 48 ILE CG2 C 16.440 . 1 462 48 48 ILE N N 129.049 . 1 463 49 49 ASN H H 8.468 . 1 464 49 49 ASN HA H 4.690 . 1 465 49 49 ASN HB2 H 2.683 . 2 466 49 49 ASN HB3 H 2.832 . 2 467 49 49 ASN HD21 H 6.857 . 2 468 49 49 ASN HD22 H 8.257 . 2 469 49 49 ASN C C 175.779 . 1 470 49 49 ASN CA C 55.587 . 1 471 49 49 ASN CB C 38.587 . 1 472 49 49 ASN N N 118.835 . 1 473 49 49 ASN ND2 N 115.616 . 1 474 50 50 GLU H H 7.853 . 1 475 50 50 GLU HA H 4.040 . 1 476 50 50 GLU HB2 H 1.800 . 2 477 50 50 GLU HB3 H 1.910 . 2 478 50 50 GLU HG2 H 2.140 . 2 479 50 50 GLU HG3 H 2.260 . 2 480 50 50 GLU C C 176.148 . 1 481 50 50 GLU CA C 57.404 . 1 482 50 50 GLU CB C 29.491 . 1 483 50 50 GLU CG C 37.130 . 1 484 50 50 GLU N N 116.358 . 1 485 51 51 HIS H H 7.575 . 1 486 51 51 HIS HA H 4.431 . 1 487 51 51 HIS HB2 H 3.080 . 2 488 51 51 HIS HB3 H 2.715 . 2 489 51 51 HIS C C 176.383 . 1 490 51 51 HIS CA C 57.089 . 1 491 51 51 HIS CB C 33.168 . 1 492 51 51 HIS N N 115.828 . 1 493 52 52 LEU H H 7.640 . 1 494 52 52 LEU HA H 4.796 . 1 495 52 52 LEU HB2 H 1.285 . 2 496 52 52 LEU HB3 H 1.520 . 2 497 52 52 LEU HD1 H 0.960 . 2 498 52 52 LEU HD2 H 1.450 . 2 499 52 52 LEU HG H 0.670 . 1 500 52 52 LEU C C 174.452 . 1 501 52 52 LEU CA C 53.398 . 1 502 52 52 LEU CB C 48.805 . 1 503 52 52 LEU CD1 C 23.850 . 1 504 52 52 LEU CD2 C 25.570 . 1 505 52 52 LEU CG C 26.800 . 1 506 52 52 LEU N N 117.932 . 1 507 53 53 SER H H 8.151 . 1 508 53 53 SER HA H 4.680 . 1 509 53 53 SER HB2 H 3.610 . 2 510 53 53 SER HB3 H 3.749 . 2 511 53 53 SER C C 174.304 . 1 512 53 53 SER CA C 56.714 . 1 513 53 53 SER CB C 65.431 . 1 514 53 53 SER N N 113.496 . 1 515 54 54 VAL H H 8.782 . 1 516 54 54 VAL HA H 3.230 . 1 517 54 54 VAL HB H 1.884 . 1 518 54 54 VAL HG1 H 0.880 . 2 519 54 54 VAL HG2 H 0.920 . 2 520 54 54 VAL C C 173.745 . 1 521 54 54 VAL CA C 66.232 . 1 522 54 54 VAL CB C 31.067 . 1 523 54 54 VAL CG1 C 21.200 . 1 524 54 54 VAL CG2 C 22.730 . 1 525 54 54 VAL N N 124.401 . 1 526 55 55 GLY H H 9.079 . 1 527 55 55 GLY HA2 H 3.530 . 2 528 55 55 GLY HA3 H 4.553 . 2 529 55 55 GLY C C 177.219 . 1 530 55 55 GLY CA C 44.647 . 1 531 55 55 GLY N N 117.320 . 1 532 56 56 ASP H H 7.943 . 1 533 56 56 ASP HA H 4.460 . 1 534 56 56 ASP HB2 H 2.523 . 2 535 56 56 ASP HB3 H 2.730 . 2 536 56 56 ASP C C 176.055 . 1 537 56 56 ASP CA C 55.456 . 1 538 56 56 ASP CB C 40.914 . 1 539 56 56 ASP N N 121.782 . 1 540 57 57 GLU H H 8.649 . 1 541 57 57 GLU HA H 5.100 . 1 542 57 57 GLU HB2 H 2.060 . 2 543 57 57 GLU HB3 H 1.970 . 2 544 57 57 GLU HG2 H 2.073 . 2 545 57 57 GLU HG3 H 2.313 . 2 546 57 57 GLU C C 175.635 . 1 547 57 57 GLU CA C 55.805 . 1 548 57 57 GLU CB C 30.915 . 1 549 57 57 GLU CG C 37.680 . 1 550 57 57 GLU N N 122.513 . 1 551 58 58 VAL H H 8.809 . 1 552 58 58 VAL HA H 4.817 . 1 553 58 58 VAL HB H 2.040 . 1 554 58 58 VAL HG1 H 0.560 . 2 555 58 58 VAL HG2 H 0.840 . 2 556 58 58 VAL C C 176.528 . 1 557 58 58 VAL CA C 58.719 . 1 558 58 58 VAL CB C 35.523 . 1 559 58 58 VAL CG1 C 18.680 . 1 560 58 58 VAL CG2 C 22.680 . 1 561 58 58 VAL N N 118.382 . 1 562 59 59 GLN H H 8.255 . 1 563 59 59 GLN HA H 5.030 . 1 564 59 59 GLN HB2 H 1.806 . 2 565 59 59 GLN HB3 H 2.091 . 2 566 59 59 GLN HG2 H 2.250 . 2 567 59 59 GLN HG3 H 2.350 . 2 568 59 59 GLN CA C 54.843 . 1 569 59 59 GLN CB C 30.111 . 1 570 59 59 GLN CG C 34.700 . 1 571 59 59 GLN N N 120.933 . 1 572 60 60 VAL H H 8.970 . 1 573 60 60 VAL HA H 4.990 . 1 574 60 60 VAL HB H 1.730 . 1 575 60 60 VAL HG1 H 0.740 . 2 576 60 60 VAL HG2 H 0.650 . 2 577 60 60 VAL C C 175.203 . 1 578 60 60 VAL CA C 57.404 . 1 579 60 60 VAL CB C 35.771 . 1 580 60 60 VAL CG1 C 18.900 . 1 581 60 60 VAL CG2 C 24.220 . 1 582 60 60 VAL N N 111.046 . 1 583 61 61 LYS H H 8.937 . 1 584 61 61 LYS HA H 5.100 . 1 585 61 61 LYS HB2 H 1.394 . 2 586 61 61 LYS HB3 H 1.572 . 2 587 61 61 LYS HD2 H 1.640 . 2 588 61 61 LYS HD3 H 1.640 . 2 589 61 61 LYS HE2 H 2.836 . 2 590 61 61 LYS HE3 H 2.836 . 2 591 61 61 LYS HG2 H 1.030 . 2 592 61 61 LYS HG3 H 1.141 . 2 593 61 61 LYS C C 173.610 . 1 594 61 61 LYS CA C 53.762 . 1 595 61 61 LYS CB C 36.273 . 1 596 61 61 LYS CD C 29.190 . 1 597 61 61 LYS CE C 41.720 . 1 598 61 61 LYS CG C 24.690 . 1 599 61 61 LYS N N 121.930 . 1 600 62 62 VAL H H 8.429 . 1 601 62 62 VAL HA H 4.074 . 1 602 62 62 VAL HB H 2.630 . 1 603 62 62 VAL HG1 H 0.752 . 2 604 62 62 VAL HG2 H 0.893 . 2 605 62 62 VAL C C 176.912 . 1 606 62 62 VAL CA C 63.188 . 1 607 62 62 VAL CB C 30.813 . 1 608 62 62 VAL CG1 C 22.600 . 1 609 62 62 VAL CG2 C 21.800 . 1 610 62 62 VAL N N 126.329 . 1 611 63 63 LEU H H 9.109 . 1 612 63 63 LEU HA H 4.423 . 1 613 63 63 LEU HB2 H 1.520 . 2 614 63 63 LEU HB3 H 1.520 . 2 615 63 63 LEU HD1 H 0.720 . 2 616 63 63 LEU HD2 H 0.800 . 2 617 63 63 LEU HG H 1.440 . 1 618 63 63 LEU C C 176.091 . 1 619 63 63 LEU CA C 55.876 . 1 620 63 63 LEU CB C 42.800 . 1 621 63 63 LEU CD1 C 21.400 . 1 622 63 63 LEU CD2 C 25.500 . 1 623 63 63 LEU CG C 25.500 . 1 624 63 63 LEU N N 129.436 . 1 625 64 64 ALA H H 7.594 . 1 626 64 64 ALA HA H 4.455 . 1 627 64 64 ALA HB H 1.390 . 1 628 64 64 ALA C C 177.314 . 1 629 64 64 ALA CA C 52.557 . 1 630 64 64 ALA CB C 21.458 . 1 631 64 64 ALA N N 117.791 . 1 632 65 65 VAL H H 8.583 . 1 633 65 65 VAL HA H 4.470 . 1 634 65 65 VAL HB H 1.950 . 1 635 65 65 VAL HG1 H 0.870 . 2 636 65 65 VAL HG2 H 0.870 . 2 637 65 65 VAL C C 174.697 . 1 638 65 65 VAL CA C 61.936 . 1 639 65 65 VAL CB C 35.288 . 1 640 65 65 VAL CG1 C 20.980 . 1 641 65 65 VAL CG2 C 20.980 . 1 642 65 65 VAL N N 120.009 . 1 643 66 66 ASP H H 8.567 . 1 644 66 66 ASP HA H 4.880 . 1 645 66 66 ASP HB2 H 2.570 . 2 646 66 66 ASP HB3 H 2.890 . 2 647 66 66 ASP C C 174.355 . 1 648 66 66 ASP CA C 52.681 . 1 649 66 66 ASP CB C 41.775 . 1 650 66 66 ASP N N 126.262 . 1 651 67 67 GLU H H 9.148 . 1 652 67 67 GLU HA H 4.110 . 1 653 67 67 GLU HB2 H 2.020 . 2 654 67 67 GLU HB3 H 2.100 . 2 655 67 67 GLU HG2 H 2.350 . 2 656 67 67 GLU HG3 H 2.240 . 2 657 67 67 GLU C C 177.052 . 1 658 67 67 GLU CA C 59.044 . 1 659 67 67 GLU CB C 29.919 . 1 660 67 67 GLU CG C 36.700 . 1 661 67 67 GLU N N 125.480 . 1 662 68 68 GLU H H 8.384 . 1 663 68 68 GLU HA H 4.140 . 1 664 68 68 GLU HB2 H 2.130 . 2 665 68 68 GLU HB3 H 2.130 . 2 666 68 68 GLU HG2 H 2.340 . 2 667 68 68 GLU HG3 H 2.240 . 2 668 68 68 GLU C C 178.383 . 1 669 68 68 GLU CA C 59.044 . 1 670 68 68 GLU CB C 29.919 . 1 671 68 68 GLU CG C 36.570 . 1 672 68 68 GLU N N 119.760 . 1 673 69 69 LYS H H 7.799 . 1 674 69 69 LYS HA H 4.375 . 1 675 69 69 LYS HB2 H 1.530 . 2 676 69 69 LYS HB3 H 1.960 . 2 677 69 69 LYS HD2 H 1.650 . 2 678 69 69 LYS HD3 H 1.650 . 2 679 69 69 LYS HE2 H 2.990 . 2 680 69 69 LYS HE3 H 2.990 . 2 681 69 69 LYS HG2 H 1.420 . 2 682 69 69 LYS HG3 H 1.420 . 2 683 69 69 LYS C C 178.297 . 1 684 69 69 LYS CA C 55.704 . 1 685 69 69 LYS CB C 33.622 . 1 686 69 69 LYS CD C 28.700 . 1 687 69 69 LYS CE C 42.160 . 1 688 69 69 LYS CG C 25.370 . 1 689 69 69 LYS N N 115.476 . 1 690 70 70 GLY H H 7.994 . 1 691 70 70 GLY HA2 H 3.940 . 2 692 70 70 GLY HA3 H 3.960 . 2 693 70 70 GLY C C 177.215 . 1 694 70 70 GLY CA C 46.773 . 1 695 70 70 GLY N N 110.245 . 1 696 71 71 LYS H H 7.560 . 1 697 71 71 LYS HA H 4.690 . 1 698 71 71 LYS HB2 H 1.660 . 2 699 71 71 LYS HB3 H 1.850 . 2 700 71 71 LYS HD2 H 1.660 . 2 701 71 71 LYS HD3 H 1.660 . 2 702 71 71 LYS HE2 H 2.930 . 2 703 71 71 LYS HE3 H 2.930 . 2 704 71 71 LYS HG2 H 1.250 . 2 705 71 71 LYS HG3 H 1.400 . 2 706 71 71 LYS C C 174.607 . 1 707 71 71 LYS CA C 55.332 . 1 708 71 71 LYS CB C 34.903 . 1 709 71 71 LYS CD C 28.740 . 1 710 71 71 LYS CE C 42.130 . 1 711 71 71 LYS CG C 24.500 . 1 712 71 71 LYS N N 118.201 . 1 713 72 72 ILE H H 8.867 . 1 714 72 72 ILE HA H 4.630 . 1 715 72 72 ILE HB H 1.730 . 1 716 72 72 ILE HD1 H 0.660 . 1 717 72 72 ILE HG12 H 1.660 . 1 718 72 72 ILE HG13 H 0.980 . 1 719 72 72 ILE HG2 H 0.740 . 2 720 72 72 ILE C C 175.708 . 1 721 72 72 ILE CA C 61.494 . 1 722 72 72 ILE CB C 40.652 . 1 723 72 72 ILE CD1 C 13.750 . 1 724 72 72 ILE CG1 C 28.380 . 2 725 72 72 ILE CG2 C 17.620 . 1 726 72 72 ILE N N 126.827 . 1 727 73 73 SER H H 8.815 . 1 728 73 73 SER HA H 5.110 . 1 729 73 73 SER HB2 H 3.840 . 2 730 73 73 SER HB3 H 3.900 . 2 731 73 73 SER C C 175.122 . 1 732 73 73 SER CA C 57.487 . 1 733 73 73 SER CB C 64.386 . 1 734 73 73 SER N N 123.640 . 1 735 74 74 LEU H H 8.585 . 1 736 74 74 LEU HA H 5.450 . 1 737 74 74 LEU HB2 H 1.090 . 2 738 74 74 LEU HB3 H 1.590 . 2 739 74 74 LEU HD1 H 0.720 . 2 740 74 74 LEU HD2 H 0.590 . 2 741 74 74 LEU HG H 1.420 . 1 742 74 74 LEU C C 174.061 . 1 743 74 74 LEU CA C 53.101 . 1 744 74 74 LEU CB C 48.268 . 1 745 74 74 LEU CD1 C 24.370 . 1 746 74 74 LEU CD2 C 26.050 . 1 747 74 74 LEU CG C 26.120 . 1 748 74 74 LEU N N 125.221 . 1 749 75 75 SER H H 8.840 . 1 750 75 75 SER HA H 5.040 . 1 751 75 75 SER HB2 H 3.480 . 2 752 75 75 SER HB3 H 3.900 . 2 753 75 75 SER C C 176.552 . 1 754 75 75 SER CA C 57.487 . 1 755 75 75 SER CB C 64.993 . 1 756 75 75 SER N N 111.252 . 1 757 76 76 ILE H H 7.790 . 1 758 76 76 ILE HA H 4.690 . 1 759 76 76 ILE HB H 2.080 . 1 760 76 76 ILE HD1 H 0.926 . 1 761 76 76 ILE HG12 H 1.700 . 1 762 76 76 ILE HG13 H 1.700 . 1 763 76 76 ILE HG2 H 1.050 . 2 764 76 76 ILE C C 175.780 . 1 765 76 76 ILE CA C 63.631 . 1 766 76 76 ILE CB C 39.484 . 1 767 76 76 ILE CD1 C 15.280 . 1 768 76 76 ILE CG1 C 28.980 . 2 769 76 76 ILE CG2 C 17.070 . 1 770 76 76 ILE N N 129.205 . 1 771 77 77 ARG H H 8.115 . 1 772 77 77 ARG HA H 3.760 . 1 773 77 77 ARG HB2 H 0.900 . 2 774 77 77 ARG HB3 H 1.060 . 2 775 77 77 ARG HD2 H 2.780 . 2 776 77 77 ARG HD3 H 2.860 . 2 777 77 77 ARG HG2 H 0.870 . 2 778 77 77 ARG HG3 H 1.270 . 2 779 77 77 ARG C C 178.704 . 1 780 77 77 ARG CA C 58.933 . 1 781 77 77 ARG CB C 29.463 . 1 782 77 77 ARG CD C 43.550 . 1 783 77 77 ARG CG C 24.760 . 1 784 77 77 ARG N N 123.257 . 1 785 78 78 ALA H H 8.304 . 1 786 78 78 ALA HA H 4.296 . 1 787 78 78 ALA HB H 1.410 . 1 788 78 78 ALA C C 176.870 . 1 789 78 78 ALA CA C 53.548 . 1 790 78 78 ALA CB C 19.872 . 1 791 78 78 ALA N N 118.764 . 1 792 79 79 THR H H 7.931 . 1 793 79 79 THR HA H 4.370 . 1 794 79 79 THR HB H 4.403 . 1 795 79 79 THR HG2 H 1.150 . 1 796 79 79 THR C C 178.356 . 1 797 79 79 THR CA C 62.381 . 1 798 79 79 THR CB C 69.693 . 1 799 79 79 THR CG2 C 22.810 . 1 800 79 79 THR N N 107.360 . 1 801 80 80 GLN H H 7.651 . 1 802 80 80 GLN HA H 4.527 . 1 803 80 80 GLN HB2 H 2.171 . 2 804 80 80 GLN HB3 H 2.171 . 2 805 80 80 GLN HE21 H 7.466 . 2 806 80 80 GLN HE22 H 6.899 . 2 807 80 80 GLN HG2 H 2.430 . 2 808 80 80 GLN HG3 H 2.430 . 2 809 80 80 GLN C C 174.249 . 1 810 80 80 GLN CA C 54.760 . 1 811 80 80 GLN CB C 30.565 . 1 812 80 80 GLN CG C 33.590 . 1 813 80 80 GLN N N 121.588 . 1 814 80 80 GLN NE2 N 111.543 . 1 815 81 81 ALA H H 8.498 . 1 816 81 81 ALA HA H 4.252 . 1 817 81 81 ALA HB H 1.983 . 1 818 81 81 ALA C C 175.693 . 1 819 81 81 ALA CA C 52.345 . 1 820 81 81 ALA CB C 19.062 . 1 821 81 81 ALA N N 126.423 . 1 822 82 82 ALA H H 8.324 . 1 823 82 82 ALA HA H 4.000 . 1 824 82 82 ALA HB H 1.168 . 1 825 82 82 ALA C C 177.065 . 1 826 82 82 ALA CA C 50.240 . 1 827 82 82 ALA CB C 17.650 . 1 828 82 82 ALA N N 125.114 . 1 829 83 83 PRO HA H 4.350 . 1 830 83 83 PRO HB2 H 2.231 . 2 831 83 83 PRO HB3 H 1.849 . 2 832 83 83 PRO HD2 H 3.627 . 2 833 83 83 PRO HD3 H 3.820 . 2 834 83 83 PRO HG2 H 2.034 . 2 835 83 83 PRO HG3 H 2.034 . 2 836 83 83 PRO CA C 63.148 . 1 837 83 83 PRO CB C 32.054 . 1 838 83 83 PRO CD C 50.388 . 1 839 83 83 PRO CG C 27.305 . 1 840 84 84 GLU H H 8.517 . 1 841 84 84 GLU HA H 4.197 . 1 842 84 84 GLU HB2 H 1.957 . 2 843 84 84 GLU HB3 H 1.957 . 2 844 84 84 GLU HG2 H 2.250 . 2 845 84 84 GLU HG3 H 2.250 . 2 846 84 84 GLU C C 176.948 . 1 847 84 84 GLU CA C 56.674 . 1 848 84 84 GLU CB C 30.459 . 1 849 84 84 GLU CG C 36.360 . 1 850 84 84 GLU N N 121.479 . 1 851 85 85 LYS H H 8.381 . 1 852 85 85 LYS HA H 4.309 . 1 853 85 85 LYS HB2 H 1.790 . 2 854 85 85 LYS HB3 H 1.790 . 2 855 85 85 LYS HD2 H 1.640 . 2 856 85 85 LYS HD3 H 1.640 . 2 857 85 85 LYS HE2 H 2.980 . 2 858 85 85 LYS HE3 H 2.980 . 2 859 85 85 LYS HG2 H 1.420 . 2 860 85 85 LYS HG3 H 1.420 . 2 861 85 85 LYS C C 176.457 . 1 862 85 85 LYS CA C 56.272 . 1 863 85 85 LYS CB C 32.961 . 1 864 85 85 LYS CD C 29.010 . 1 865 85 85 LYS CE C 42.050 . 1 866 85 85 LYS CG C 24.620 . 1 867 85 85 LYS N N 123.266 . 1 868 86 86 LYS H H 8.403 . 1 869 86 86 LYS HA H 4.308 . 1 870 86 86 LYS HB2 H 1.800 . 2 871 86 86 LYS HB3 H 1.790 . 2 872 86 86 LYS HD2 H 1.670 . 2 873 86 86 LYS HD3 H 1.670 . 2 874 86 86 LYS HE2 H 2.990 . 2 875 86 86 LYS HE3 H 2.990 . 2 876 86 86 LYS HG2 H 1.420 . 2 877 86 86 LYS HG3 H 1.420 . 2 878 86 86 LYS C C 176.435 . 1 879 86 86 LYS CA C 56.272 . 1 880 86 86 LYS CB C 32.961 . 1 881 86 86 LYS CD C 29.110 . 1 882 86 86 LYS CE C 42.150 . 1 883 86 86 LYS CG C 24.610 . 1 884 86 86 LYS N N 123.688 . 1 885 87 87 GLU H H 8.540 . 1 886 87 87 GLU HA H 4.358 . 1 887 87 87 GLU HB2 H 2.058 . 2 888 87 87 GLU HB3 H 1.956 . 2 889 87 87 GLU HG2 H 2.260 . 2 890 87 87 GLU HG3 H 2.260 . 2 891 87 87 GLU C C 176.556 . 1 892 87 87 GLU CA C 56.406 . 1 893 87 87 GLU CB C 30.607 . 1 894 87 87 GLU CG C 36.310 . 1 895 87 87 GLU N N 122.633 . 1 896 88 88 SER H H 8.520 . 1 897 88 88 SER HA H 4.490 . 1 898 88 88 SER HB2 H 3.866 . 2 899 88 88 SER HB3 H 3.866 . 2 900 88 88 SER C C 175.780 . 1 901 88 88 SER CA C 58.431 . 1 902 88 88 SER CB C 63.858 . 1 903 88 88 SER N N 118.333 . 1 904 89 89 LYS H H 8.339 . 1 905 89 89 LYS HA H 4.620 . 1 906 89 89 LYS HB2 H 1.820 . 2 907 89 89 LYS HB3 H 1.820 . 2 908 89 89 LYS HD2 H 1.700 . 2 909 89 89 LYS HD3 H 1.700 . 2 910 89 89 LYS HE2 H 2.990 . 2 911 89 89 LYS HE3 H 2.990 . 2 912 89 89 LYS HG2 H 1.450 . 2 913 89 89 LYS HG3 H 1.450 . 2 914 89 89 LYS C C 174.160 . 1 915 89 89 LYS CA C 54.265 . 1 916 89 89 LYS CB C 32.672 . 1 917 89 89 LYS CD C 29.270 . 1 918 89 89 LYS CE C 41.980 . 1 919 89 89 LYS CG C 24.530 . 1 920 89 89 LYS N N 124.433 . 1 921 90 90 PRO HA H 4.417 . 1 922 90 90 PRO HB2 H 2.286 . 2 923 90 90 PRO HB3 H 1.857 . 2 924 90 90 PRO HD2 H 3.630 . 2 925 90 90 PRO HD3 H 3.830 . 2 926 90 90 PRO HG2 H 2.008 . 2 927 90 90 PRO HG3 H 2.008 . 2 928 90 90 PRO CA C 63.064 . 1 929 90 90 PRO CB C 32.266 . 1 930 90 90 PRO CD C 50.925 . 1 931 90 90 PRO CG C 27.307 . 1 932 91 91 ARG H H 8.502 . 1 933 91 91 ARG HA H 4.305 . 1 934 91 91 ARG HB2 H 1.800 . 2 935 91 91 ARG HB3 H 1.792 . 2 936 91 91 ARG HD2 H 3.200 . 2 937 91 91 ARG HD3 H 3.200 . 2 938 91 91 ARG HG2 H 1.620 . 2 939 91 91 ARG HG3 H 1.620 . 2 940 91 91 ARG C C 176.831 . 1 941 91 91 ARG CA C 56.002 . 1 942 91 91 ARG CB C 30.913 . 1 943 91 91 ARG CD C 43.370 . 1 944 91 91 ARG CG C 26.800 . 1 945 91 91 ARG N N 122.193 . 1 946 92 92 LYS H H 8.415 . 1 947 92 92 LYS HA H 4.610 . 1 948 92 92 LYS HB2 H 1.790 . 2 949 92 92 LYS HB3 H 1.790 . 2 950 92 92 LYS HD2 H 1.700 . 2 951 92 92 LYS HD3 H 1.700 . 2 952 92 92 LYS HE2 H 2.990 . 2 953 92 92 LYS HE3 H 2.990 . 2 954 92 92 LYS HG2 H 1.440 . 2 955 92 92 LYS HG3 H 1.440 . 2 956 92 92 LYS C C 176.262 . 1 957 92 92 LYS CA C 54.258 . 1 958 92 92 LYS CB C 32.672 . 1 959 92 92 LYS CD C 29.250 . 1 960 92 92 LYS CE C 41.980 . 1 961 92 92 LYS CG C 24.490 . 1 962 92 92 LYS N N 124.243 . 1 963 93 93 PRO HA H 4.415 . 1 964 93 93 PRO HB2 H 2.285 . 2 965 93 93 PRO HB3 H 1.903 . 2 966 93 93 PRO HD2 H 3.631 . 2 967 93 93 PRO HD3 H 3.829 . 2 968 93 93 PRO HG2 H 2.010 . 2 969 93 93 PRO HG3 H 2.010 . 2 970 93 93 PRO CA C 62.899 . 1 971 93 93 PRO CB C 32.323 . 1 972 93 93 PRO CD C 50.929 . 1 973 93 93 PRO CG C 27.311 . 1 974 94 94 LYS H H 8.420 . 1 975 94 94 LYS HA H 4.290 . 1 976 94 94 LYS HB2 H 1.792 . 2 977 94 94 LYS HB3 H 1.792 . 2 978 94 94 LYS HD2 H 1.670 . 2 979 94 94 LYS HD3 H 1.670 . 2 980 94 94 LYS HE2 H 2.980 . 2 981 94 94 LYS HE3 H 2.980 . 2 982 94 94 LYS HG2 H 1.420 . 2 983 94 94 LYS HG3 H 1.420 . 2 984 94 94 LYS C C 176.714 . 1 985 94 94 LYS CA C 56.585 . 1 986 94 94 LYS CB C 33.161 . 1 987 94 94 LYS CD C 29.200 . 1 988 94 94 LYS CE C 42.130 . 1 989 94 94 LYS CG C 24.560 . 1 990 94 94 LYS N N 122.121 . 1 991 95 95 ALA H H 8.348 . 1 992 95 95 ALA HA H 4.250 . 1 993 95 95 ALA HB H 1.792 . 1 994 95 95 ALA C C 176.453 . 1 995 95 95 ALA CA C 52.471 . 1 996 95 95 ALA CB C 19.347 . 1 997 95 95 ALA N N 125.624 . 1 998 96 96 ALA H H 8.348 . 1 999 96 96 ALA HA H 4.254 . 1 1000 96 96 ALA HB H 1.375 . 1 1001 96 96 ALA C C 176.462 . 1 1002 96 96 ALA CA C 52.471 . 1 1003 96 96 ALA CB C 19.347 . 1 1004 96 96 ALA N N 125.624 . 1 1005 97 97 GLN H H 8.333 . 1 1006 97 97 GLN HA H 4.362 . 1 1007 97 97 GLN HB2 H 2.011 . 2 1008 97 97 GLN HB3 H 2.011 . 2 1009 97 97 GLN HE21 H 7.564 . 2 1010 97 97 GLN HE22 H 6.890 . 2 1011 97 97 GLN HG2 H 2.370 . 2 1012 97 97 GLN HG3 H 2.370 . 2 1013 97 97 GLN C C 177.684 . 1 1014 97 97 GLN CA C 55.848 . 1 1015 97 97 GLN CB C 29.643 . 1 1016 97 97 GLN CG C 33.970 . 1 1017 97 97 GLN N N 120.049 . 1 1018 97 97 GLN NE2 N 112.699 . 1 1019 98 98 VAL H H 8.230 . 1 1020 98 98 VAL HA H 4.145 . 1 1021 98 98 VAL HB H 2.093 . 1 1022 98 98 VAL HG1 H 0.930 . 2 1023 98 98 VAL HG2 H 0.930 . 2 1024 98 98 VAL C C 176.033 . 1 1025 98 98 VAL CA C 62.444 . 1 1026 98 98 VAL CB C 32.942 . 1 1027 98 98 VAL CG1 C 20.950 . 1 1028 98 98 VAL CG2 C 20.950 . 1 1029 98 98 VAL N N 121.607 . 1 1030 99 99 SER H H 8.375 . 1 1031 99 99 SER HA H 4.473 . 1 1032 99 99 SER HB2 H 3.871 . 2 1033 99 99 SER HB3 H 3.871 . 2 1034 99 99 SER C C 176.204 . 1 1035 99 99 SER CA C 58.379 . 1 1036 99 99 SER CB C 63.914 . 1 1037 99 99 SER N N 119.455 . 1 1038 100 100 GLU H H 8.547 . 1 1039 100 100 GLU HA H 4.304 . 1 1040 100 100 GLU HB2 H 2.065 . 2 1041 100 100 GLU HB3 H 1.954 . 2 1042 100 100 GLU HG2 H 2.260 . 2 1043 100 100 GLU HG3 H 2.260 . 2 1044 100 100 GLU C C 174.620 . 1 1045 100 100 GLU CA C 56.835 . 1 1046 100 100 GLU CB C 30.365 . 1 1047 100 100 GLU CG C 36.330 . 1 1048 100 100 GLU N N 123.419 . 1 1049 101 101 GLU H H 8.432 . 1 1050 101 101 GLU HA H 4.252 . 1 1051 101 101 GLU HB2 H 2.020 . 2 1052 101 101 GLU HB3 H 1.970 . 2 1053 101 101 GLU HG2 H 2.260 . 2 1054 101 101 GLU HG3 H 2.260 . 2 1055 101 101 GLU C C 176.693 . 1 1056 101 101 GLU CA C 56.835 . 1 1057 101 101 GLU CB C 30.365 . 1 1058 101 101 GLU CG C 36.330 . 1 1059 101 101 GLU N N 122.025 . 1 1060 102 102 ALA H H 8.324 . 1 1061 102 102 ALA HA H 4.361 . 1 1062 102 102 ALA HB H 1.410 . 1 1063 102 102 ALA C C 177.065 . 1 1064 102 102 ALA CA C 52.647 . 1 1065 102 102 ALA CB C 19.227 . 1 1066 102 102 ALA N N 125.114 . 1 1067 103 103 SER H H 8.259 . 1 1068 103 103 SER HA H 4.473 . 1 1069 103 103 SER HB2 H 3.869 . 2 1070 103 103 SER HB3 H 3.869 . 2 1071 103 103 SER C C 177.772 . 1 1072 103 103 SER CA C 58.301 . 1 1073 103 103 SER CB C 63.961 . 1 1074 103 103 SER N N 115.109 . 1 1075 104 104 THR H H 8.127 . 1 1076 104 104 THR HA H 4.600 . 1 1077 104 104 THR HB H 4.140 . 1 1078 104 104 THR HG2 H 1.210 . 1 1079 104 104 THR C C 174.427 . 1 1080 104 104 THR CA C 59.954 . 1 1081 104 104 THR CB C 69.868 . 1 1082 104 104 THR CG2 C 21.380 . 1 1083 104 104 THR N N 117.882 . 1 1084 105 105 PRO HA H 4.414 . 1 1085 105 105 PRO HB2 H 1.874 . 2 1086 105 105 PRO HB3 H 2.288 . 2 1087 105 105 PRO HD2 H 3.818 . 2 1088 105 105 PRO HD3 H 3.621 . 2 1089 105 105 PRO HG2 H 2.008 . 2 1090 105 105 PRO HG3 H 2.008 . 2 1091 105 105 PRO CA C 63.300 . 1 1092 105 105 PRO CB C 32.227 . 1 1093 105 105 PRO CD C 50.927 . 1 1094 105 105 PRO CG C 27.323 . 1 1095 106 106 GLN H H 8.524 . 1 1096 106 106 GLN HA H 4.276 . 1 1097 106 106 GLN HB2 H 2.082 . 2 1098 106 106 GLN HB3 H 1.977 . 2 1099 106 106 GLN HG2 H 2.367 . 2 1100 106 106 GLN HG3 H 2.367 . 2 1101 106 106 GLN C C 177.083 . 1 1102 106 106 GLN CA C 56.209 . 1 1103 106 106 GLN CB C 29.490 . 1 1104 106 106 GLN CG C 33.781 . 1 1105 106 106 GLN N N 120.754 . 1 1106 107 107 GLY H H 8.394 . 1 1107 107 107 GLY HA2 H 3.895 . 2 1108 107 107 GLY HA3 H 3.895 . 2 1109 107 107 GLY C C 176.651 . 1 1110 107 107 GLY CA C 45.330 . 1 1111 107 107 GLY N N 110.026 . 1 1112 108 108 PHE H H 8.099 . 1 1113 108 108 PHE HA H 4.582 . 1 1114 108 108 PHE HB2 H 3.101 . 2 1115 108 108 PHE HB3 H 2.996 . 2 1116 108 108 PHE HD1 H 7.207 . 3 1117 108 108 PHE C C 173.944 . 1 1118 108 108 PHE CA C 58.054 . 1 1119 108 108 PHE CB C 39.708 . 1 1120 108 108 PHE N N 120.180 . 1 1121 109 109 ASN H H 8.482 . 1 1122 109 109 ASN HA H 4.691 . 1 1123 109 109 ASN HB2 H 2.831 . 2 1124 109 109 ASN HB3 H 2.718 . 2 1125 109 109 ASN HD21 H 6.928 . 2 1126 109 109 ASN HD22 H 7.471 . 2 1127 109 109 ASN C C 175.627 . 1 1128 109 109 ASN CA C 53.402 . 1 1129 109 109 ASN CB C 38.883 . 1 1130 109 109 ASN N N 120.752 . 1 1131 109 109 ASN ND2 N 112.889 . 1 1132 110 110 THR H H 8.112 . 1 1133 110 110 THR HA H 4.251 . 1 1134 110 110 THR HB H 4.245 . 1 1135 110 110 THR HG2 H 1.205 . 1 1136 110 110 THR C C 175.275 . 1 1137 110 110 THR CA C 62.460 . 1 1138 110 110 THR CB C 69.726 . 1 1139 110 110 THR CG2 C 21.740 . 1 1140 110 110 THR N N 114.601 . 1 1141 111 111 LEU H H 8.168 . 1 1142 111 111 LEU HA H 4.308 . 1 1143 111 111 LEU HB2 H 1.627 . 2 1144 111 111 LEU HB3 H 1.627 . 2 1145 111 111 LEU HD1 H 0.920 . 2 1146 111 111 LEU HD2 H 0.860 . 2 1147 111 111 LEU HG H 1.640 . 1 1148 111 111 LEU CA C 55.704 . 1 1149 111 111 LEU CB C 42.071 . 1 1150 111 111 LEU CD1 C 24.700 . 1 1151 111 111 LEU CD2 C 23.640 . 1 1152 111 111 LEU CG C 26.990 . 1 1153 111 111 LEU N N 123.756 . 1 1154 112 112 LYS H H 8.123 . 1 1155 112 112 LYS HA H 4.242 . 1 1156 112 112 LYS HB2 H 1.788 . 2 1157 112 112 LYS HB3 H 1.788 . 2 1158 112 112 LYS HD2 H 1.682 . 2 1159 112 112 LYS HD3 H 1.682 . 2 1160 112 112 LYS HE2 H 2.980 . 2 1161 112 112 LYS HE3 H 2.980 . 2 1162 112 112 LYS HG2 H 1.439 . 2 1163 112 112 LYS HG3 H 1.439 . 2 1164 112 112 LYS C C 177.547 . 1 1165 112 112 LYS CA C 56.928 . 1 1166 112 112 LYS CB C 33.055 . 1 1167 112 112 LYS CD C 30.305 . 1 1168 112 112 LYS CE C 42.013 . 1 1169 112 112 LYS CG C 24.670 . 1 1170 112 112 LYS N N 121.442 . 1 1171 113 113 ASP H H 8.230 . 1 1172 113 113 ASP HA H 4.526 . 1 1173 113 113 ASP HB2 H 2.634 . 2 1174 113 113 ASP HB3 H 2.634 . 2 1175 113 113 ASP C C 176.532 . 1 1176 113 113 ASP CA C 54.896 . 1 1177 113 113 ASP CB C 41.362 . 1 1178 113 113 ASP N N 120.598 . 1 1179 114 114 LYS H H 8.127 . 1 1180 114 114 LYS HA H 4.300 . 1 1181 114 114 LYS HB2 H 1.808 . 2 1182 114 114 LYS HB3 H 1.808 . 2 1183 114 114 LYS HD2 H 1.682 . 2 1184 114 114 LYS HD3 H 1.682 . 2 1185 114 114 LYS HE2 H 2.980 . 2 1186 114 114 LYS HE3 H 2.980 . 2 1187 114 114 LYS HG2 H 1.439 . 2 1188 114 114 LYS HG3 H 1.439 . 2 1189 114 114 LYS C C 176.303 . 1 1190 114 114 LYS CA C 56.633 . 1 1191 114 114 LYS CB C 32.818 . 1 1192 114 114 LYS CD C 30.305 . 1 1193 114 114 LYS CE C 42.013 . 1 1194 114 114 LYS CG C 24.670 . 1 1195 114 114 LYS N N 120.897 . 1 1196 115 115 LEU H H 8.244 . 1 1197 115 115 LEU HA H 4.254 . 1 1198 115 115 LEU HB2 H 1.628 . 2 1199 115 115 LEU HB3 H 1.628 . 2 1200 115 115 LEU HD1 H 0.920 . 2 1201 115 115 LEU HD2 H 0.860 . 2 1202 115 115 LEU HG H 1.640 . 1 1203 115 115 LEU C C 176.909 . 1 1204 115 115 LEU CA C 56.282 . 1 1205 115 115 LEU CB C 42.188 . 1 1206 115 115 LEU CD1 C 24.700 . 1 1207 115 115 LEU CD2 C 23.640 . 1 1208 115 115 LEU CG C 26.990 . 1 1209 115 115 LEU N N 123.251 . 1 1210 116 116 GLU H H 8.421 . 1 1211 116 116 GLU HA H 4.190 . 1 1212 116 116 GLU HB2 H 1.907 . 2 1213 116 116 GLU HB3 H 1.907 . 2 1214 116 116 GLU C C 177.828 . 1 1215 116 116 GLU CA C 57.466 . 1 1216 116 116 GLU CB C 30.124 . 1 1217 116 116 GLU N N 120.575 . 1 1218 117 117 GLU H H 8.255 . 1 1219 117 117 GLU HA H 4.192 . 1 1220 117 117 GLU HB2 H 1.983 . 2 1221 117 117 GLU HB3 H 1.983 . 2 1222 117 117 GLU HG2 H 2.260 . 2 1223 117 117 GLU HG3 H 2.260 . 2 1224 117 117 GLU CA C 57.491 . 1 1225 117 117 GLU CB C 30.365 . 1 1226 117 117 GLU CG C 36.220 . 1 1227 117 117 GLU N N 120.933 . 1 1228 118 118 TRP H H 8.143 . 1 1229 118 118 TRP HA H 4.581 . 1 1230 118 118 TRP HB2 H 3.322 . 2 1231 118 118 TRP HB3 H 3.322 . 2 1232 118 118 TRP HD1 H 7.601 . 1 1233 118 118 TRP HE3 H 7.254 . 3 1234 118 118 TRP C C 176.794 . 1 1235 118 118 TRP CA C 58.363 . 1 1236 118 118 TRP CB C 29.333 . 1 1237 118 118 TRP N N 121.592 . 1 1238 119 119 ILE H H 7.908 . 1 1239 119 119 ILE HA H 3.828 . 1 1240 119 119 ILE HB H 1.757 . 1 1241 119 119 ILE HD1 H 0.808 . 1 1242 119 119 ILE HG12 H 1.412 . 1 1243 119 119 ILE HG13 H 1.044 . 1 1244 119 119 ILE HG2 H 0.823 . 2 1245 119 119 ILE C C 176.984 . 1 1246 119 119 ILE CA C 62.335 . 1 1247 119 119 ILE CB C 38.649 . 1 1248 119 119 ILE CD1 C 12.902 . 1 1249 119 119 ILE CG1 C 27.730 . 2 1250 119 119 ILE CG2 C 17.276 . 1 1251 119 119 ILE N N 122.744 . 1 1252 120 120 GLU H H 8.143 . 1 1253 120 120 GLU HA H 4.093 . 1 1254 120 120 GLU HB2 H 2.043 . 2 1255 120 120 GLU HB3 H 1.941 . 2 1256 120 120 GLU HG2 H 2.261 . 2 1257 120 120 GLU HG3 H 2.261 . 2 1258 120 120 GLU C C 176.565 . 1 1259 120 120 GLU CA C 57.613 . 1 1260 120 120 GLU CB C 29.834 . 1 1261 120 120 GLU CG C 36.313 . 1 1262 120 120 GLU N N 123.139 . 1 1263 121 121 MET H H 8.254 . 1 1264 121 121 MET HA H 4.357 . 1 1265 121 121 MET HB2 H 2.528 . 2 1266 121 121 MET HB3 H 2.610 . 2 1267 121 121 MET HG2 H 2.080 . 2 1268 121 121 MET HG3 H 2.080 . 2 1269 121 121 MET CA C 56.625 . 1 1270 121 121 MET CB C 32.664 . 1 1271 121 121 MET CG C 32.563 . 1 1272 121 121 MET N N 120.449 . 1 1273 122 122 SER H H 8.199 . 1 1274 122 122 SER HA H 4.280 . 1 1275 122 122 SER HB2 H 3.787 . 2 1276 122 122 SER HB3 H 3.787 . 2 1277 122 122 SER C C 177.224 . 1 1278 122 122 SER CA C 59.635 . 1 1279 122 122 SER CB C 63.560 . 1 1280 122 122 SER N N 115.857 . 1 1281 123 123 ASN H H 8.211 . 1 1282 123 123 ASN HA H 4.737 . 1 1283 123 123 ASN HB2 H 2.813 . 2 1284 123 123 ASN HB3 H 2.813 . 2 1285 123 123 ASN HD21 H 6.920 . 2 1286 123 123 ASN HD22 H 7.470 . 2 1287 123 123 ASN C C 174.709 . 1 1288 123 123 ASN CA C 53.507 . 1 1289 123 123 ASN CB C 38.800 . 1 1290 123 123 ASN N N 119.923 . 1 1291 123 123 ASN ND2 N 112.889 . 1 1292 124 124 ARG H H 7.997 . 1 1293 124 124 ARG HA H 4.305 . 1 1294 124 124 ARG HB2 H 1.890 . 2 1295 124 124 ARG HB3 H 1.802 . 2 1296 124 124 ARG HD2 H 3.180 . 2 1297 124 124 ARG HD3 H 3.180 . 2 1298 124 124 ARG HG2 H 1.635 . 2 1299 124 124 ARG HG3 H 1.635 . 2 1300 124 124 ARG C C 175.477 . 1 1301 124 124 ARG CA C 56.709 . 1 1302 124 124 ARG CB C 30.584 . 1 1303 124 124 ARG CD C 43.250 . 1 1304 124 124 ARG CG C 26.932 . 1 1305 124 124 ARG N N 120.821 . 1 1306 125 125 LYS H H 8.327 . 1 1307 125 125 LYS HA H 4.254 . 1 1308 125 125 LYS HB2 H 1.826 . 2 1309 125 125 LYS HB3 H 1.826 . 2 1310 125 125 LYS HD2 H 1.682 . 2 1311 125 125 LYS HD3 H 1.682 . 2 1312 125 125 LYS HE2 H 2.980 . 2 1313 125 125 LYS HE3 H 2.980 . 2 1314 125 125 LYS HG2 H 1.439 . 2 1315 125 125 LYS HG3 H 1.439 . 2 1316 125 125 LYS C C 176.777 . 1 1317 125 125 LYS CA C 56.860 . 1 1318 125 125 LYS CB C 32.879 . 1 1319 125 125 LYS CD C 30.305 . 1 1320 125 125 LYS CE C 42.013 . 1 1321 125 125 LYS CG C 24.670 . 1 1322 125 125 LYS N N 121.891 . 1 1323 126 126 ASP H H 8.343 . 1 1324 126 126 ASP HA H 4.581 . 1 1325 126 126 ASP HB2 H 2.643 . 2 1326 126 126 ASP HB3 H 2.643 . 2 1327 126 126 ASP C C 176.538 . 1 1328 126 126 ASP CA C 54.540 . 1 1329 126 126 ASP CB C 40.907 . 1 1330 126 126 ASP N N 119.814 . 1 1331 127 127 LEU H H 7.946 . 1 1332 127 127 LEU HA H 4.309 . 1 1333 127 127 LEU HB2 H 1.627 . 2 1334 127 127 LEU HB3 H 1.627 . 2 1335 127 127 LEU HD1 H 0.912 . 2 1336 127 127 LEU HD2 H 0.854 . 2 1337 127 127 LEU HG H 1.610 . 1 1338 127 127 LEU C C 176.043 . 1 1339 127 127 LEU CA C 55.427 . 1 1340 127 127 LEU CB C 42.394 . 1 1341 127 127 LEU CD1 C 24.717 . 1 1342 127 127 LEU CD2 C 23.449 . 1 1343 127 127 LEU CG C 26.918 . 1 1344 127 127 LEU N N 121.432 . 1 1345 128 128 ILE H H 7.967 . 1 1346 128 128 ILE HA H 4.141 . 1 1347 128 128 ILE HB H 1.848 . 1 1348 128 128 ILE HD1 H 0.855 . 1 1349 128 128 ILE HG12 H 1.482 . 1 1350 128 128 ILE HG13 H 1.197 . 1 1351 128 128 ILE HG2 H 0.889 . 2 1352 128 128 ILE C C 177.200 . 1 1353 128 128 ILE CA C 61.150 . 1 1354 128 128 ILE CB C 38.489 . 1 1355 128 128 ILE CD1 C 12.668 . 1 1356 128 128 ILE CG1 C 27.306 . 2 1357 128 128 ILE CG2 C 17.417 . 1 1358 128 128 ILE N N 121.579 . 1 1359 129 129 LYS H H 8.331 . 1 1360 129 129 LYS HA H 4.328 . 1 1361 129 129 LYS HB2 H 1.847 . 2 1362 129 129 LYS HB3 H 1.740 . 2 1363 129 129 LYS HD2 H 1.677 . 2 1364 129 129 LYS HD3 H 1.677 . 2 1365 129 129 LYS HE2 H 2.978 . 2 1366 129 129 LYS HE3 H 2.978 . 2 1367 129 129 LYS HG2 H 1.415 . 2 1368 129 129 LYS HG3 H 1.415 . 2 1369 129 129 LYS C C 175.952 . 1 1370 129 129 LYS CA C 56.330 . 1 1371 129 129 LYS CB C 33.010 . 1 1372 129 129 LYS CD C 29.053 . 1 1373 129 129 LYS CE C 42.068 . 1 1374 129 129 LYS CG C 24.700 . 1 1375 129 129 LYS N N 126.955 . 1 1376 130 130 LYS H H 8.013 . 1 1377 130 130 LYS HA H 4.159 . 1 1378 130 130 LYS HB2 H 1.812 . 2 1379 130 130 LYS HB3 H 1.674 . 2 1380 130 130 LYS HD2 H 1.676 . 2 1381 130 130 LYS HD3 H 1.676 . 2 1382 130 130 LYS HE2 H 2.990 . 2 1383 130 130 LYS HE3 H 2.990 . 2 1384 130 130 LYS HG2 H 1.404 . 2 1385 130 130 LYS HG3 H 1.404 . 2 1386 130 130 LYS C C 175.374 . 1 1387 130 130 LYS CA C 57.818 . 1 1388 130 130 LYS CB C 33.836 . 1 1389 130 130 LYS CD C 29.479 . 1 1390 130 130 LYS CE C 42.285 . 1 1391 130 130 LYS CG C 24.728 . 1 1392 130 130 LYS N N 129.205 . 1 stop_ save_