data_6150 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of the Apo Sm14-M20(C62V) protein from Schistosoma mansoni ; _BMRB_accession_number 6150 _BMRB_flat_file_name bmr6150.str _Entry_type original _Submission_date 2004-03-18 _Accession_date 2004-03-18 _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 Pertinhez Thelma A. . 2 Sforca Mauricio L. . 3 Alves Adriana C. . 4 Ramos Celso R. . 5 Ho Paulo L. . 6 Tendler Miriam . . 7 Zanchin Nilson I. . 8 Spisni Alberto . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 639 "13C chemical shifts" 525 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-29 original author . stop_ _Original_release_date 2004-07-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Letter to the Editor: 1H, 15N and 13C resonance assignments of the Apo Sm14-M20(C62V) protein from Schistosoma mansoni' _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 Pertinhez Thelma A. . 2 Sforca Mauricio L. . 3 Alves Adriana C. . 4 Ramos Celso R. . 5 Ho Paulo L. . 6 Tendler Miriam . . 7 Zanchin Nilson I. . 8 Spisni Alberto . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 553 _Page_last 554 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_FABP _Saveframe_category molecular_system _Mol_system_name 'fatty acid binding protein' _Abbreviation_common FABP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FABP from Schistosoma mansoni' $FABP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FABP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'FABP from Schistosoma mansoni' _Name_variant C62V _Abbreviation_common Sm14 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; MSSFLGKWKLSESHNFDAVM SKLGVSWATRQIGNTVTPTV TFTMDGDKMTMLTESTFKNL SVTFKFGEEFDEKTSDGRNV KSVVEKNSESKLTQTQVDPK NTTVIVREVDGDTMKTTVTV GDVTAIRNYKRLS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 SER 4 4 PHE 5 5 LEU 6 6 GLY 7 7 LYS 8 8 TRP 9 9 LYS 10 10 LEU 11 11 SER 12 12 GLU 13 13 SER 14 14 HIS 15 15 ASN 16 16 PHE 17 17 ASP 18 18 ALA 19 19 VAL 20 20 MET 21 21 SER 22 22 LYS 23 23 LEU 24 24 GLY 25 25 VAL 26 26 SER 27 27 TRP 28 28 ALA 29 29 THR 30 30 ARG 31 31 GLN 32 32 ILE 33 33 GLY 34 34 ASN 35 35 THR 36 36 VAL 37 37 THR 38 38 PRO 39 39 THR 40 40 VAL 41 41 THR 42 42 PHE 43 43 THR 44 44 MET 45 45 ASP 46 46 GLY 47 47 ASP 48 48 LYS 49 49 MET 50 50 THR 51 51 MET 52 52 LEU 53 53 THR 54 54 GLU 55 55 SER 56 56 THR 57 57 PHE 58 58 LYS 59 59 ASN 60 60 LEU 61 61 SER 62 62 VAL 63 63 THR 64 64 PHE 65 65 LYS 66 66 PHE 67 67 GLY 68 68 GLU 69 69 GLU 70 70 PHE 71 71 ASP 72 72 GLU 73 73 LYS 74 74 THR 75 75 SER 76 76 ASP 77 77 GLY 78 78 ARG 79 79 ASN 80 80 VAL 81 81 LYS 82 82 SER 83 83 VAL 84 84 VAL 85 85 GLU 86 86 LYS 87 87 ASN 88 88 SER 89 89 GLU 90 90 SER 91 91 LYS 92 92 LEU 93 93 THR 94 94 GLN 95 95 THR 96 96 GLN 97 97 VAL 98 98 ASP 99 99 PRO 100 100 LYS 101 101 ASN 102 102 THR 103 103 THR 104 104 VAL 105 105 ILE 106 106 VAL 107 107 ARG 108 108 GLU 109 109 VAL 110 110 ASP 111 111 GLY 112 112 ASP 113 113 THR 114 114 MET 115 115 LYS 116 116 THR 117 117 THR 118 118 VAL 119 119 THR 120 120 VAL 121 121 GLY 122 122 ASP 123 123 VAL 124 124 THR 125 125 ALA 126 126 ILE 127 127 ARG 128 128 ASN 129 129 TYR 130 130 LYS 131 131 ARG 132 132 LEU 133 133 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1VYF "Schistosoma Mansoni Fatty Acid Binding Protein In Complex With Oleic Acid" 100.00 135 99.25 99.25 2.52e-88 PDB 1VYG "Schistosoma Mansoni Fatty Acid Binding Protein In Complex With Arachidonic Acid" 100.00 135 99.25 99.25 2.52e-88 PDB 2POA "Schistosoma Mansoni Sm14 Fatty Acid-Binding Protein: Improvement Of Protein Stability By Substitution Of The Single Cys62 Resid" 100.00 133 100.00 100.00 8.65e-89 DBJ BAF62288 "fatty acid-binding protein [Schistosoma haematobium]" 99.25 133 98.48 99.24 4.36e-87 EMBL CCD60849 "fatty acid binding protein [Schistosoma mansoni]" 100.00 133 99.25 99.25 3.14e-88 GB AAA63516 "fatty acid binding protein [Schistosoma mansoni]" 100.00 133 99.25 99.25 3.14e-88 GB AAL15461 "fatty acid-binding protein Sm14 [Schistosoma mansoni]" 100.00 133 99.25 99.25 3.14e-88 GB AAM18480 "Sm14 fatty acid-binding protein isoform T20 [Schistosoma mansoni]" 100.00 133 98.50 98.50 3.39e-87 GB AAT39384 "fatty acid binding protein 15 [Schistosoma bovis]" 100.00 133 97.74 99.25 3.58e-87 GB KGB36035 "14 kDa fatty acid-binding protein [Schistosoma haematobium]" 99.25 133 98.48 99.24 4.36e-87 SP P29498 "RecName: Full=14 kDa fatty acid-binding protein; AltName: Full=Sm14 [Schistosoma mansoni]" 100.00 133 99.25 99.25 3.14e-88 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FABP 'Schistosoma mansoni' 6183 Eukaryota Metazoa Schistosoma mansoni 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 $FABP 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sm14_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FABP 0.7 mM '[U-13C; U-15N]' Na2H2PO4 50 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRpipe _Saveframe_category software _Name NMRpipe _Version 5.0 loop_ _Task 'semi automated peak assignment' stop_ _Details ; Delaglio, F., Grzesiek S., Vuister G. W., Zhu G., Pfeifer J. and Bax A. (1995) NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR. 6, 277-293. ; save_ save_NMRview _Saveframe_category software _Name NMRview _Version 5.0 loop_ _Task 'semi automated peak assignment' stop_ _Details ; Johnson, B. and Blevins, R.A. (1994) J. Biomol. NMR, 4, 603-614. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model . _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_NHSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name NHSQC _Sample_label $sm14_sample save_ save_CHSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name CHSQC _Sample_label $sm14_sample save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sm14_sample save_ save_HNCOCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $sm14_sample save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sm14_sample save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sm14_sample save_ save_NOESY_NHSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'NOESY NHSQC' _Sample_label $sm14_sample save_ save_TOCSY_NHSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'TOCSY NHSQC' _Sample_label $sm14_sample save_ save_HCCHCOSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _Sample_label $sm14_sample save_ save_HCCHTOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _Sample_label $sm14_sample save_ save_hCCHTOCSY_(ON_CARBON)_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'hCCHTOCSY (ON CARBON)' _Sample_label $sm14_sample save_ save_hCCHNOESY_(ON_CARBON)_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'hCCHNOESY (ON CARBON)' _Sample_label $sm14_sample save_ ####################### # Sample conditions # ####################### save_sm14_condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.5 pH temperature 293 1 K 'ionic strength' 0.125 0.02 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 . direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_sm14_assignment.str _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sm14_sample stop_ _Sample_conditions_label $sm14_condition _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'FABP from Schistosoma mansoni' _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 1 MET CA C 52.998 0.2 1 2 1 1 MET HA H 5.095 0.02 1 3 1 1 MET CB C 32.191 0.2 1 4 1 1 MET HB3 H 2.106 0.02 2 5 1 1 MET C C 174.585 0.2 1 6 2 2 SER N N 115.593 0.1 1 7 2 2 SER H H 8.388 0.02 1 8 2 2 SER CA C 55.140 0.2 1 9 2 2 SER HA H 4.800 0.02 1 10 2 2 SER CB C 64.263 0.2 1 11 2 2 SER HB3 H 3.968 0.02 2 12 2 2 SER C C 173.801 0.2 1 13 3 3 SER N N 125.703 0.1 1 14 3 3 SER H H 9.804 0.02 1 15 3 3 SER CA C 58.205 0.2 1 16 3 3 SER HA H 5.217 0.02 1 17 3 3 SER CB C 62.325 0.2 1 18 3 3 SER HB3 H 3.601 0.02 2 19 3 3 SER C C 174.301 0.2 1 20 4 4 PHE N N 118.431 0.1 1 21 4 4 PHE H H 7.672 0.02 1 22 4 4 PHE CA C 57.678 0.2 1 23 4 4 PHE HA H 4.233 0.02 1 24 4 4 PHE CB C 36.958 0.2 1 25 4 4 PHE HB3 H 3.170 0.02 2 26 4 4 PHE HB2 H 2.934 0.02 2 27 4 4 PHE CD1 C 129.178 0.2 3 28 4 4 PHE HD1 H 7.241 0.02 3 29 4 4 PHE CE1 C 129.178 0.2 3 30 4 4 PHE HE1 H 7.335 0.02 3 31 4 4 PHE CZ C 128.983 0.2 1 32 4 4 PHE HZ H 6.551 0.02 1 33 4 4 PHE C C 175.203 0.2 1 34 5 5 LEU N N 115.913 0.1 1 35 5 5 LEU H H 7.659 0.02 1 36 5 5 LEU CA C 54.169 0.2 1 37 5 5 LEU HA H 4.348 0.02 1 38 5 5 LEU CB C 38.590 0.2 1 39 5 5 LEU HB3 H 1.907 0.02 2 40 5 5 LEU CG C 23.137 0.2 1 41 5 5 LEU HG H 1.572 0.02 1 42 5 5 LEU CD1 C 20.705 0.2 1 43 5 5 LEU HD1 H 0.913 0.02 2 44 5 5 LEU C C 176.573 0.2 1 45 6 6 GLY N N 110.380 0.1 1 46 6 6 GLY H H 8.582 0.02 1 47 6 6 GLY CA C 41.695 0.2 1 48 6 6 GLY HA3 H 4.453 0.02 2 49 6 6 GLY HA2 H 3.779 0.02 2 50 6 6 GLY C C 169.934 0.2 1 51 7 7 LYS N N 119.214 0.1 1 52 7 7 LYS H H 8.193 0.02 1 53 7 7 LYS CA C 53.390 0.2 1 54 7 7 LYS HA H 5.247 0.02 1 55 7 7 LYS CB C 34.217 0.2 1 56 7 7 LYS HB3 H 1.623 0.02 2 57 7 7 LYS CG C 22.572 0.2 1 58 7 7 LYS HG3 H 1.335 0.02 2 59 7 7 LYS CD C 27.167 0.2 1 60 7 7 LYS HD3 H 1.504 0.02 2 61 7 7 LYS CE C 39.758 0.2 1 62 7 7 LYS HE3 H 2.977 0.02 2 63 7 7 LYS HE2 H 3.500 0.02 2 64 7 7 LYS HZ H 6.737 0.02 1 65 7 7 LYS C C 174.300 0.2 1 66 8 8 TRP N N 124.109 0.1 1 67 8 8 TRP H H 9.301 0.02 1 68 8 8 TRP CA C 53.776 0.2 1 69 8 8 TRP HA H 5.225 0.02 1 70 8 8 TRP CB C 30.218 0.2 1 71 8 8 TRP HB3 H 3.205 0.02 2 72 8 8 TRP CD1 C 124.720 0.2 3 73 8 8 TRP HD1 H 7.209 0.02 1 74 8 8 TRP NE1 N 128.813 0.1 1 75 8 8 TRP HE1 H 10.137 0.02 3 76 8 8 TRP CZ2 C 112.292 0.2 3 77 8 8 TRP HZ2 H 7.457 0.02 3 78 8 8 TRP CH2 C 122.266 0.2 1 79 8 8 TRP HH2 H 7.171 0.02 1 80 8 8 TRP CZ3 C 119.649 0.2 3 81 8 8 TRP HZ3 H 7.103 0.02 3 82 8 8 TRP CE3 C 117.929 0.2 3 83 8 8 TRP HE3 H 7.463 0.02 3 84 8 8 TRP C C 174.604 0.2 1 85 9 9 LYS N N 122.508 0.1 1 86 9 9 LYS H H 9.584 0.02 1 87 9 9 LYS CA C 52.602 0.2 1 88 9 9 LYS HA H 5.356 0.02 1 89 9 9 LYS CB C 35.435 0.2 1 90 9 9 LYS HB3 H 2.186 0.02 2 91 9 9 LYS CG C 21.891 0.2 1 92 9 9 LYS HG3 H 1.974 0.02 2 93 9 9 LYS CD C 28.767 0.2 1 94 9 9 LYS HD3 H 2.073 0.02 2 95 9 9 LYS CE C 39.940 0.2 1 96 9 9 LYS HE3 H 3.146 0.02 2 97 9 9 LYS HE2 H 2.948 0.02 2 98 9 9 LYS HZ H 7.053 0.02 1 99 9 9 LYS C C 175.564 0.2 1 100 10 10 LEU N N 129.323 0.1 1 101 10 10 LEU H H 8.160 0.02 1 102 10 10 LEU CA C 54.600 0.2 1 103 10 10 LEU HA H 4.279 0.02 1 104 10 10 LEU CB C 40.145 0.2 1 105 10 10 LEU HB3 H 1.613 0.02 2 106 10 10 LEU HG H 1.312 0.02 1 107 10 10 LEU HD1 H 0.840 0.02 2 108 10 10 LEU HD2 H 0.956 0.02 2 109 10 10 LEU C C 174.602 0.2 1 110 11 11 SER N N 121.554 0.1 1 111 11 11 SER H H 9.705 0.02 1 112 11 11 SER CA C 56.119 0.2 1 113 11 11 SER HA H 4.696 0.02 1 114 11 11 SER CB C 62.914 0.2 1 115 11 11 SER HB3 H 3.967 0.02 2 116 11 11 SER HB2 H 3.610 0.02 2 117 11 11 SER C C 174.149 0.2 1 118 12 12 GLU N N 119.247 0.1 1 119 12 12 GLU H H 7.561 0.02 1 120 12 12 GLU CA C 53.787 0.2 1 121 12 12 GLU HA H 4.557 0.02 1 122 12 12 GLU CB C 31.452 0.2 1 123 12 12 GLU HB3 H 2.004 0.02 2 124 12 12 GLU CG C 36.745 0.2 1 125 12 12 GLU HG3 H 2.274 0.02 2 126 12 12 GLU HG2 H 2.386 0.02 2 127 12 12 GLU C C 173.097 0.2 1 128 13 13 SER N N 116.235 0.1 1 129 13 13 SER H H 8.414 0.02 1 130 13 13 SER CA C 54.169 0.2 1 131 13 13 SER HA H 5.321 0.02 1 132 13 13 SER CB C 63.383 0.2 1 133 13 13 SER HB3 H 4.882 0.02 2 134 13 13 SER HB2 H 3.720 0.02 2 135 13 13 SER C C 172.714 0.2 1 136 14 14 HIS N N 122.939 0.1 1 137 14 14 HIS H H 9.275 0.02 1 138 14 14 HIS CA C 53.000 0.2 1 139 14 14 HIS HA H 5.179 0.02 1 140 14 14 HIS CB C 30.893 0.2 1 141 14 14 HIS HB3 H 3.101 0.02 2 142 14 14 HIS HB2 H 3.215 0.02 2 143 14 14 HIS CD2 C 118.370 0.2 1 144 14 14 HIS HD2 H 7.041 0.02 3 145 14 14 HIS CE1 C 135.657 0.2 1 146 14 14 HIS HE1 H 8.150 0.02 3 147 14 14 HIS C C 174.351 0.2 1 148 15 15 ASN N N 121.742 0.1 1 149 15 15 ASN H H 10.068 0.02 1 150 15 15 ASN CA C 51.600 0.2 1 151 15 15 ASN HA H 4.778 0.02 1 152 15 15 ASN CB C 38.182 0.2 1 153 15 15 ASN HB3 H 2.874 0.02 2 154 15 15 ASN HB2 H 2.705 0.02 2 155 15 15 ASN C C 175.052 0.2 1 156 16 16 PHE N N 118.998 0.1 1 157 16 16 PHE H H 8.804 0.02 1 158 16 16 PHE CA C 58.453 0.2 1 159 16 16 PHE HA H 4.306 0.02 1 160 16 16 PHE CB C 38.157 0.2 1 161 16 16 PHE HB3 H 3.008 0.02 2 162 16 16 PHE HB2 H 3.168 0.02 2 163 16 16 PHE CD1 C 130.660 0.2 3 164 16 16 PHE HD1 H 6.985 0.02 3 165 16 16 PHE CE1 C 130.844 0.2 3 166 16 16 PHE HE1 H 7.094 0.02 3 167 16 16 PHE CZ C 130.431 0.2 1 168 16 16 PHE HZ H 6.929 0.02 1 169 16 16 PHE C C 176.862 0.2 1 170 17 17 ASP N N 117.615 0.1 1 171 17 17 ASP H H 8.792 0.02 1 172 17 17 ASP CA C 56.334 0.2 1 173 17 17 ASP HA H 4.904 0.02 1 174 17 17 ASP CB C 40.017 0.2 1 175 17 17 ASP HB3 H 2.860 0.02 2 176 17 17 ASP HB2 H 2.635 0.02 2 177 17 17 ASP C C 177.464 0.2 1 178 18 18 ALA N N 119.105 0.1 1 179 18 18 ALA H H 7.464 0.02 1 180 18 18 ALA CA C 52.610 0.2 1 181 18 18 ALA HA H 4.068 0.02 1 182 18 18 ALA CB C 15.962 0.2 1 183 18 18 ALA HB H 1.421 0.02 1 184 18 18 ALA C C 170.990 0.2 1 185 19 19 VAL N N 118.789 0.1 1 186 19 19 VAL H H 6.928 0.02 1 187 19 19 VAL CA C 64.305 0.2 1 188 19 19 VAL HA H 3.398 0.02 1 189 19 19 VAL CB C 30.042 0.2 1 190 19 19 VAL HB H 1.835 0.02 1 191 19 19 VAL CG2 C 22.715 0.2 1 192 19 19 VAL HG2 H 0.797 0.02 2 193 19 19 VAL HG1 H 0.921 0.02 2 194 19 19 VAL C C 176.107 0.2 1 195 20 20 MET N N 115.703 0.1 1 196 20 20 MET H H 7.619 0.02 1 197 20 20 MET CA C 56.900 0.2 1 198 20 20 MET HA H 3.778 0.02 1 199 20 20 MET CB C 31.442 0.2 1 200 20 20 MET HB3 H 2.036 0.02 2 201 20 20 MET HG3 H 2.443 0.02 2 202 20 20 MET HE H 2.203 0.02 1 203 20 20 MET C C 177.773 0.2 1 204 21 21 SER N N 112.720 0.1 1 205 21 21 SER H H 8.427 0.02 1 206 21 21 SER CA C 59.622 0.2 1 207 21 21 SER HA H 4.000 0.02 1 208 21 21 SER CB C 60.393 0.2 1 209 21 21 SER HB3 H 3.877 0.02 2 210 21 21 SER C C 177.916 0.2 1 211 22 22 LYS N N 123.151 0.1 1 212 22 22 LYS H H 7.721 0.02 1 213 22 22 LYS CA C 55.924 0.2 1 214 22 22 LYS HA H 4.068 0.02 1 215 22 22 LYS CB C 30.471 0.2 1 216 22 22 LYS HB3 H 2.052 0.02 2 217 22 22 LYS CG C 26.612 0.2 1 218 22 22 LYS HG3 H 1.685 0.02 2 219 22 22 LYS HD3 H 1.937 0.02 2 220 22 22 LYS HE3 H 3.005 0.02 2 221 22 22 LYS C C 177.164 0.2 1 222 23 23 LEU N N 114.528 0.1 1 223 23 23 LEU H H 7.504 0.02 1 224 23 23 LEU CA C 52.917 0.2 1 225 23 23 LEU HA H 4.105 0.02 1 226 23 23 LEU CB C 42.436 0.2 1 227 23 23 LEU HB3 H 1.710 0.02 2 228 23 23 LEU HB2 H 1.554 0.02 2 229 23 23 LEU CG C 23.412 0.2 1 230 23 23 LEU HG H 1.411 0.02 1 231 23 23 LEU CD1 C 21.469 0.2 1 232 23 23 LEU HD1 H 0.711 0.02 2 233 23 23 LEU HD2 H 0.886 0.02 2 234 23 23 LEU C C 176.714 0.2 1 235 24 24 GLY N N 106.449 0.1 1 236 24 24 GLY H H 7.773 0.02 1 237 24 24 GLY CA C 43.640 0.2 1 238 24 24 GLY HA3 H 4.014 0.02 2 239 24 24 GLY HA2 H 3.720 0.02 2 240 24 24 GLY C C 173.851 0.2 1 241 25 25 VAL N N 119.425 0.1 1 242 25 25 VAL H H 7.600 0.02 1 243 25 25 VAL CA C 60.411 0.2 1 244 25 25 VAL HA H 3.793 0.02 1 245 25 25 VAL CB C 30.466 0.2 1 246 25 25 VAL HB H 1.980 0.02 1 247 25 25 VAL CG2 C 22.715 0.2 1 248 25 25 VAL HG2 H 0.924 0.02 2 249 25 25 VAL HG1 H 0.789 0.02 2 250 25 25 VAL C C 175.654 0.2 1 251 26 26 SER N N 122.936 0.1 1 252 26 26 SER H H 8.890 0.02 1 253 26 26 SER CA C 56.114 0.2 1 254 26 26 SER HA H 4.999 0.02 1 255 26 26 SER CB C 62.967 0.2 1 256 26 26 SER HB3 H 3.845 0.02 2 257 26 26 SER HB2 H 4.225 0.02 2 258 26 26 SER C C 174.002 0.2 1 259 27 27 TRP N N 122.730 0.1 1 260 27 27 TRP H H 9.040 0.02 1 261 27 27 TRP CA C 59.237 0.2 1 262 27 27 TRP HA H 4.985 0.02 1 263 27 27 TRP HB3 H 3.382 0.02 2 264 27 27 TRP HB2 H 3.299 0.02 2 265 27 27 TRP CD1 C 124.710 0.2 3 266 27 27 TRP HD1 H 7.216 0.02 1 267 27 27 TRP NE1 N 127.092 0.1 1 268 27 27 TRP HE1 H 9.962 0.02 3 269 27 27 TRP CZ2 C 112.119 0.2 3 270 27 27 TRP HZ2 H 7.454 0.02 3 271 27 27 TRP CH2 C 122.200 0.2 1 272 27 27 TRP HH2 H 7.216 0.02 1 273 27 27 TRP CZ3 C 119.650 0.2 3 274 27 27 TRP HZ3 H 7.103 0.02 3 275 27 27 TRP C C 177.762 0.2 1 276 28 28 ALA N N 118.574 0.1 1 277 28 28 ALA H H 8.856 0.02 1 278 28 28 ALA CA C 53.386 0.2 1 279 28 28 ALA HA H 4.870 0.02 1 280 28 28 ALA CB C 17.601 0.2 1 281 28 28 ALA C C 169.935 0.2 1 282 29 29 THR N N 114.211 0.1 1 283 29 29 THR H H 7.685 0.02 1 284 29 29 THR CA C 62.979 0.2 1 285 29 29 THR HA H 4.217 0.02 1 286 29 29 THR CB C 66.799 0.2 1 287 29 29 THR HB H 3.861 0.02 1 288 29 29 THR CG2 C 18.893 0.2 1 289 29 29 THR HG2 H 0.953 0.02 1 290 29 29 THR C C 175.421 0.2 1 291 30 30 ARG N N 123.489 0.1 1 292 30 30 ARG H H 8.782 0.02 1 293 30 30 ARG CA C 57.076 0.2 1 294 30 30 ARG HA H 5.225 0.02 1 295 30 30 ARG CB C 27.713 0.2 1 296 30 30 ARG HB3 H 1.479 0.02 2 297 30 30 ARG CG C 22.860 0.2 1 298 30 30 ARG HG3 H 1.438 0.02 2 299 30 30 ARG CD C 39.934 0.2 1 300 30 30 ARG HD3 H 3.019 0.02 2 301 30 30 ARG HD2 H 3.384 0.02 2 302 30 30 ARG C C 176.815 0.2 1 303 31 31 GLN N N 115.914 0.1 1 304 31 31 GLN H H 7.775 0.02 1 305 31 31 GLN CA C 55.524 0.2 1 306 31 31 GLN HA H 3.752 0.02 1 307 31 31 GLN CB C 26.000 0.2 1 308 31 31 GLN HB3 H 2.043 0.02 2 309 31 31 GLN CG C 30.553 0.2 1 310 31 31 GLN HG3 H 2.198 0.02 2 311 31 31 GLN NE2 N 112.345 0.1 1 312 31 31 GLN HE21 H 7.288 0.02 2 313 31 31 GLN HE22 H 7.044 0.02 2 314 31 31 GLN C C 177.766 0.2 1 315 32 32 ILE N N 118.148 0.1 1 316 32 32 ILE H H 7.150 0.02 1 317 32 32 ILE CA C 61.183 0.2 1 318 32 32 ILE HA H 3.714 0.02 1 319 32 32 ILE CB C 36.000 0.2 1 320 32 32 ILE HB H 1.739 0.02 1 321 32 32 ILE CG1 C 26.208 0.2 2 322 32 32 ILE HG13 H 1.662 0.02 1 323 32 32 ILE HG12 H 1.461 0.02 1 324 32 32 ILE CD1 C 10.458 0.2 1 325 32 32 ILE HD1 H 0.612 0.02 1 326 32 32 ILE CG2 C 14.990 0.2 1 327 32 32 ILE C C 177.749 0.2 1 328 33 33 GLY N N 107.632 0.1 1 329 33 33 GLY H H 8.361 0.02 1 330 33 33 GLY CA C 44.699 0.2 1 331 33 33 GLY HA3 H 3.768 0.02 2 332 33 33 GLY HA2 H 4.003 0.02 2 333 33 33 GLY C C 174.452 0.2 1 334 34 34 ASN N N 116.129 0.1 1 335 34 34 ASN H H 8.166 0.02 1 336 34 34 ASN CA C 52.025 0.2 1 337 34 34 ASN HA H 4.815 0.02 1 338 34 34 ASN CB C 38.159 0.2 1 339 34 34 ASN HB3 H 2.838 0.02 2 340 34 34 ASN HB2 H 2.684 0.02 2 341 34 34 ASN ND2 N 112.933 0.1 1 342 34 34 ASN HD21 H 7.669 0.02 2 343 34 34 ASN HD22 H 7.073 0.02 2 344 34 34 ASN C C 175.292 0.2 1 345 35 35 THR N N 110.060 0.1 1 346 35 35 THR H H 7.801 0.02 1 347 35 35 THR CA C 60.755 0.2 1 348 35 35 THR HA H 4.974 0.02 1 349 35 35 THR CB C 68.940 0.2 1 350 35 35 THR HB H 3.967 0.02 1 351 35 35 THR CG2 C 18.977 0.2 1 352 35 35 THR HG2 H 1.056 0.02 1 353 35 35 THR C C 174.247 0.2 1 354 36 36 VAL N N 118.040 0.1 1 355 36 36 VAL H H 7.658 0.02 1 356 36 36 VAL CA C 59.625 0.2 1 357 36 36 VAL HA H 4.323 0.02 1 358 36 36 VAL CB C 31.753 0.2 1 359 36 36 VAL HB H 2.149 0.02 1 360 36 36 VAL CG2 C 19.393 0.2 1 361 36 36 VAL HG2 H 0.986 0.02 2 362 36 36 VAL HG1 H 0.794 0.02 2 363 36 36 VAL C C 175.202 0.2 1 364 37 37 THR N N 111.764 0.1 1 365 37 37 THR H H 8.617 0.02 1 366 37 37 THR CA C 58.460 0.2 1 367 37 37 THR HA H 5.669 0.02 1 368 37 37 THR CB C 69.500 0.2 1 369 37 37 THR HB H 4.167 0.02 1 370 37 37 THR CG2 C 19.556 0.2 1 371 37 37 THR HG2 H 1.207 0.02 1 372 38 38 PRO CA C 60.020 0.2 1 373 38 38 PRO HA H 4.169 0.02 1 374 38 38 PRO CB C 34.096 0.2 1 375 38 38 PRO HB3 H 2.138 0.02 2 376 38 38 PRO CG C 31.405 0.2 1 377 38 38 PRO HG3 H 1.944 0.02 2 378 38 38 PRO CD C 52.030 0.2 1 379 38 38 PRO HD2 H 3.878 0.02 2 380 38 38 PRO C C 173.401 0.2 1 381 39 39 THR N N 120.488 0.1 1 382 39 39 THR H H 8.506 0.02 1 383 39 39 THR CA C 59.237 0.2 1 384 39 39 THR HA H 5.545 0.02 1 385 39 39 THR CB C 69.408 0.2 1 386 39 39 THR HB H 3.757 0.02 1 387 39 39 THR HG2 H 0.901 0.02 1 388 39 39 THR C C 173.700 0.2 1 389 40 40 VAL N N 124.749 0.1 1 390 40 40 VAL H H 9.668 0.02 1 391 40 40 VAL CA C 58.068 0.2 1 392 40 40 VAL HA H 5.286 0.02 1 393 40 40 VAL CB C 33.200 0.2 1 394 40 40 VAL HB H 2.175 0.02 1 395 40 40 VAL CG2 C 19.265 0.2 1 396 40 40 VAL HG2 H 1.182 0.02 2 397 40 40 VAL HG1 H 0.949 0.02 2 398 40 40 VAL C C 174.152 0.2 1 399 41 41 THR N N 122.623 0.1 1 400 41 41 THR H H 9.325 0.02 1 401 41 41 THR CA C 59.232 0.2 1 402 41 41 THR HA H 5.703 0.02 1 403 41 41 THR CB C 69.371 0.2 1 404 41 41 THR HB H 3.919 0.02 1 405 41 41 THR CG2 C 19.402 0.2 1 406 41 41 THR HG2 H 1.188 0.02 1 407 41 41 THR C C 173.820 0.2 1 408 42 42 PHE N N 125.152 0.1 1 409 42 42 PHE H H 9.458 0.02 1 410 42 42 PHE CA C 54.800 0.2 1 411 42 42 PHE HA H 5.738 0.02 1 412 42 42 PHE CB C 40.076 0.2 1 413 42 42 PHE HB3 H 3.040 0.02 2 414 42 42 PHE HB2 H 3.146 0.02 2 415 42 42 PHE CD1 C 129.852 0.2 3 416 42 42 PHE HD1 H 7.425 0.02 3 417 42 42 PHE HE1 H 7.669 0.02 3 418 42 42 PHE C C 175.357 0.2 1 419 43 43 THR N N 114.211 0.1 1 420 43 43 THR H H 8.909 0.02 1 421 43 43 THR CA C 58.400 0.2 1 422 43 43 THR HA H 4.700 0.02 1 423 43 43 THR CB C 70.100 0.2 1 424 43 43 THR HB H 4.156 0.02 1 425 43 43 THR CG2 C 19.886 0.2 1 426 43 43 THR HG2 H 1.188 0.02 1 427 43 43 THR C C 171.592 0.2 1 428 44 44 MET N N 119.212 0.1 1 429 44 44 MET H H 8.674 0.02 1 430 44 44 MET CA C 52.220 0.2 1 431 44 44 MET HA H 5.182 0.02 1 432 44 44 MET CB C 34.735 0.2 1 433 44 44 MET HB3 H 2.079 0.02 2 434 44 44 MET CG C 31.024 0.2 1 435 44 44 MET HG3 H 2.188 0.02 2 436 44 44 MET CE C 19.149 0.2 1 437 44 44 MET C C 174.299 0.2 1 438 45 45 ASP N N 123.575 0.1 1 439 45 45 ASP H H 8.515 0.02 1 440 45 45 ASP CA C 50.783 0.2 1 441 45 45 ASP HA H 4.731 0.02 1 442 45 45 ASP CB C 39.731 0.2 1 443 45 45 ASP HB3 H 2.627 0.02 2 444 45 45 ASP HB2 H 2.462 0.02 2 445 45 45 ASP C C 175.804 0.2 1 446 46 46 GLY N N 114.957 0.1 1 447 46 46 GLY H H 8.961 0.02 1 448 46 46 GLY CA C 45.500 0.2 1 449 46 46 GLY HA3 H 3.939 0.02 2 450 46 46 GLY HA2 H 3.691 0.02 2 451 46 46 GLY C C 173.697 0.2 1 452 47 47 ASP N N 124.746 0.1 1 453 47 47 ASP H H 8.583 0.02 1 454 47 47 ASP CA C 51.441 0.2 1 455 47 47 ASP HA H 4.591 0.02 1 456 47 47 ASP CB C 39.099 0.2 1 457 47 47 ASP HB3 H 2.753 0.02 2 458 47 47 ASP HB2 H 2.635 0.02 2 459 47 47 ASP C C 173.301 0.2 1 460 48 48 LYS N N 116.871 0.1 1 461 48 48 LYS H H 7.670 0.02 1 462 48 48 LYS CA C 53.000 0.2 1 463 48 48 LYS HA H 4.448 0.02 1 464 48 48 LYS CB C 32.608 0.2 1 465 48 48 LYS HB3 H 1.831 0.02 2 466 48 48 LYS HB2 H 1.703 0.02 2 467 48 48 LYS CG C 22.509 0.2 1 468 48 48 LYS HG3 H 1.226 0.02 2 469 48 48 LYS CD C 28.804 0.2 1 470 48 48 LYS HD3 H 1.494 0.02 2 471 48 48 LYS CE C 39.847 0.2 1 472 48 48 LYS HE3 H 2.866 0.02 2 473 48 48 LYS HE2 H 3.010 0.02 2 474 48 48 LYS C C 174.664 0.2 1 475 49 49 MET N N 126.446 0.1 1 476 49 49 MET H H 8.621 0.02 1 477 49 49 MET CA C 51.833 0.2 1 478 49 49 MET HA H 4.861 0.02 1 479 49 49 MET CB C 32.723 0.2 1 480 49 49 MET HB3 H 2.060 0.02 2 481 49 49 MET CG C 26.613 0.2 1 482 49 49 MET HG3 H 2.186 0.02 2 483 49 49 MET CE C 19.105 0.2 1 484 49 49 MET C C 177.312 0.2 1 485 50 50 THR N N 119.532 0.1 1 486 50 50 THR H H 8.753 0.02 1 487 50 50 THR CA C 59.237 0.2 1 488 50 50 THR HA H 5.078 0.02 1 489 50 50 THR CB C 69.371 0.2 1 490 50 50 THR HB H 3.800 0.02 1 491 50 50 THR CG2 C 18.634 0.2 1 492 50 50 THR HG2 H 1.397 0.02 1 493 50 50 THR C C 172.043 0.2 1 494 51 51 MET N N 125.708 0.1 1 495 51 51 MET H H 8.962 0.02 1 496 51 51 MET CA C 51.836 0.2 1 497 51 51 MET HA H 5.029 0.02 1 498 51 51 MET CB C 34.318 0.2 1 499 51 51 MET HB3 H 2.067 0.02 2 500 51 51 MET HB2 H 1.946 0.02 2 501 51 51 MET CG C 28.332 0.2 1 502 51 51 MET HG3 H 2.183 0.02 2 503 51 51 MET CE C 18.714 0.2 1 504 51 51 MET HE H 2.017 0.02 1 505 51 51 MET C C 173.467 0.2 1 506 52 52 LEU N N 130.389 0.1 1 507 52 52 LEU H H 9.041 0.02 1 508 52 52 LEU CA C 51.600 0.2 1 509 52 52 LEU HA H 5.217 0.02 1 510 52 52 LEU CB C 43.291 0.2 1 511 52 52 LEU HB3 H 1.718 0.02 2 512 52 52 LEU CG C 23.455 0.2 1 513 52 52 LEU HG H 1.453 0.02 1 514 52 52 LEU CD1 C 21.383 0.2 1 515 52 52 LEU HD1 H 0.891 0.02 2 516 52 52 LEU HD2 H 0.820 0.02 2 517 52 52 LEU C C 174.906 0.2 1 518 53 53 THR N N 124.004 0.1 1 519 53 53 THR H H 9.396 0.02 1 520 53 53 THR CA C 60.017 0.2 1 521 53 53 THR HA H 5.073 0.02 1 522 53 53 THR CB C 68.511 0.2 1 523 53 53 THR HB H 4.161 0.02 1 524 53 53 THR CG2 C 19.146 0.2 1 525 53 53 THR HG2 H 1.126 0.02 1 526 53 53 THR C C 172.745 0.2 1 527 54 54 GLU N N 125.809 0.1 1 528 54 54 GLU H H 9.208 0.02 1 529 54 54 GLU CA C 59.472 0.2 1 530 54 54 GLU HA H 4.904 0.02 1 531 54 54 GLU CB C 31.809 0.2 1 532 54 54 GLU HB3 H 1.932 0.02 2 533 54 54 GLU CG C 36.492 0.2 1 534 54 54 GLU HG3 H 2.149 0.02 2 535 54 54 GLU C C 175.507 0.2 1 536 55 55 SER N N 119.531 0.1 1 537 55 55 SER H H 8.818 0.02 1 538 55 55 SER CA C 56.441 0.2 1 539 55 55 SER HA H 4.687 0.02 1 540 55 55 SER CB C 59.900 0.2 1 541 55 55 SER HB3 H 4.269 0.02 2 542 55 55 SER HB2 H 4.078 0.02 2 543 55 55 SER C C 178.608 0.2 1 544 56 56 THR N N 118.363 0.1 1 545 56 56 THR H H 6.779 0.02 1 546 56 56 THR CA C 61.627 0.2 1 547 56 56 THR HA H 3.579 0.02 1 548 56 56 THR CB C 66.373 0.2 1 549 56 56 THR HB H 3.855 0.02 1 550 56 56 THR HG2 H 1.060 0.02 1 551 56 56 THR C C 174.301 0.2 1 552 57 57 PHE N N 117.729 0.1 1 553 57 57 PHE H H 8.077 0.02 1 554 57 57 PHE CA C 55.979 0.2 1 555 57 57 PHE HA H 4.765 0.02 1 556 57 57 PHE CB C 38.807 0.2 1 557 57 57 PHE HB3 H 3.114 0.02 2 558 57 57 PHE HB2 H 2.970 0.02 2 559 57 57 PHE CD1 C 128.068 0.2 3 560 57 57 PHE HD1 H 7.055 0.02 3 561 57 57 PHE CE1 C 127.383 0.2 3 562 57 57 PHE HE1 H 7.235 0.02 3 563 57 57 PHE C C 174.386 0.2 1 564 58 58 LYS N N 116.236 0.1 1 565 58 58 LYS H H 7.221 0.02 1 566 58 58 LYS CA C 53.697 0.2 1 567 58 58 LYS HA H 4.407 0.02 1 568 58 58 LYS CB C 33.964 0.2 1 569 58 58 LYS HB3 H 1.983 0.02 2 570 58 58 LYS HB2 H 2.054 0.02 2 571 58 58 LYS CG C 22.555 0.2 1 572 58 58 LYS HG3 H 1.596 0.02 2 573 58 58 LYS CD C 26.742 0.2 1 574 58 58 LYS HD3 H 1.816 0.02 2 575 58 58 LYS CE C 39.883 0.2 1 576 58 58 LYS HE3 H 3.010 0.02 2 577 58 58 LYS HE2 H 2.788 0.02 2 578 58 58 LYS C C 173.550 0.2 1 579 59 59 ASN N N 121.799 0.1 1 580 59 59 ASN H H 8.600 0.02 1 581 59 59 ASN CA C 49.891 0.2 1 582 59 59 ASN HA H 5.494 0.02 1 583 59 59 ASN CB C 38.382 0.2 1 584 59 59 ASN HB3 H 2.708 0.02 2 585 59 59 ASN ND2 N 110.440 0.1 1 586 59 59 ASN HD21 H 7.432 0.02 2 587 59 59 ASN HD22 H 6.714 0.02 2 588 59 59 ASN C C 173.888 0.2 1 589 60 60 LEU N N 122.299 0.1 1 590 60 60 LEU H H 8.877 0.02 1 591 60 60 LEU CA C 52.220 0.2 1 592 60 60 LEU HA H 5.112 0.02 1 593 60 60 LEU CB C 43.985 0.2 1 594 60 60 LEU HB3 H 1.700 0.02 2 595 60 60 LEU CG C 26.999 0.2 1 596 60 60 LEU HG H 1.665 0.02 1 597 60 60 LEU CD1 C 22.770 0.2 1 598 60 60 LEU HD1 H 0.903 0.02 2 599 60 60 LEU C C 174.631 0.2 1 600 61 61 SER N N 116.022 0.1 1 601 61 61 SER H H 8.587 0.02 1 602 61 61 SER CA C 54.791 0.2 1 603 61 61 SER HA H 5.331 0.02 1 604 61 61 SER CB C 62.592 0.2 1 605 61 61 SER HB3 H 3.649 0.02 2 606 61 61 SER HB2 H 4.869 0.02 2 607 61 61 SER C C 173.247 0.2 1 608 62 62 VAL N N 121.022 0.1 1 609 62 62 VAL H H 8.400 0.02 1 610 62 62 VAL CA C 58.457 0.2 1 611 62 62 VAL HA H 4.731 0.02 1 612 62 62 VAL CB C 34.317 0.2 1 613 62 62 VAL HB H 2.144 0.02 1 614 62 62 VAL CG2 C 19.596 0.2 1 615 62 62 VAL HG2 H 1.192 0.02 2 616 62 62 VAL HG1 H 0.924 0.02 2 617 62 62 VAL C C 172.345 0.2 1 618 63 63 THR N N 119.958 0.1 1 619 63 63 THR H H 8.231 0.02 1 620 63 63 THR CA C 58.850 0.2 1 621 63 63 THR HA H 5.321 0.02 1 622 63 63 THR CB C 70.221 0.2 1 623 63 63 THR HB H 3.647 0.02 1 624 63 63 THR CG2 C 19.478 0.2 1 625 63 63 THR HG2 H 1.073 0.02 1 626 63 63 THR C C 172.270 0.2 1 627 64 64 PHE N N 121.768 0.1 1 628 64 64 PHE H H 8.465 0.02 1 629 64 64 PHE CA C 53.000 0.2 1 630 64 64 PHE HA H 4.625 0.02 1 631 64 64 PHE CB C 39.659 0.2 1 632 64 64 PHE HB3 H 3.320 0.02 2 633 64 64 PHE HB2 H 3.220 0.02 2 634 64 64 PHE CD1 C 130.417 0.2 3 635 64 64 PHE HD1 H 6.178 0.02 3 636 64 64 PHE CE1 C 130.457 0.2 3 637 64 64 PHE HE1 H 6.242 0.02 3 638 64 64 PHE HZ H 7.354 0.02 1 639 64 64 PHE C C 171.930 0.2 1 640 65 65 LYS N N 116.771 0.1 1 641 65 65 LYS H H 8.630 0.02 1 642 65 65 LYS CA C 51.850 0.2 1 643 65 65 LYS HA H 4.661 0.02 1 644 65 65 LYS CB C 32.739 0.2 1 645 65 65 LYS HB3 H 2.001 0.02 2 646 65 65 LYS HB2 H 1.828 0.02 2 647 65 65 LYS CG C 22.801 0.2 1 648 65 65 LYS HG3 H 1.503 0.02 2 649 65 65 LYS CD C 27.071 0.2 1 650 65 65 LYS HD3 H 1.729 0.02 2 651 65 65 LYS CE C 39.821 0.2 1 652 65 65 LYS HE3 H 2.896 0.02 2 653 65 65 LYS HZ H 6.754 0.02 1 654 65 65 LYS C C 177.613 0.2 1 655 66 66 PHE N N 122.619 0.1 1 656 66 66 PHE H H 8.700 0.02 1 657 66 66 PHE CA C 57.610 0.2 1 658 66 66 PHE HA H 4.974 0.02 1 659 66 66 PHE CB C 36.294 0.2 1 660 66 66 PHE HB3 H 2.953 0.02 2 661 66 66 PHE HB2 H 3.587 0.02 2 662 66 66 PHE CD1 C 131.356 0.2 3 663 66 66 PHE HD1 H 7.354 0.02 3 664 66 66 PHE C C 177.770 0.2 1 665 67 67 GLY N N 108.680 0.1 1 666 67 67 GLY H H 9.331 0.02 1 667 67 67 GLY CA C 44.261 0.2 1 668 67 67 GLY HA3 H 4.356 0.02 2 669 67 67 GLY HA2 H 3.637 0.02 2 670 67 67 GLY C C 172.490 0.2 1 671 68 68 GLU N N 119.000 0.1 1 672 68 68 GLU H H 7.629 0.02 1 673 68 68 GLU CA C 52.995 0.2 1 674 68 68 GLU HA H 4.805 0.02 1 675 68 68 GLU CB C 30.452 0.2 1 676 68 68 GLU HB3 H 2.017 0.02 2 677 68 68 GLU HB2 H 1.933 0.02 2 678 68 68 GLU CG C 39.141 0.2 1 679 68 68 GLU HG3 H 2.279 0.02 2 680 68 68 GLU HG2 H 2.752 0.02 2 681 68 68 GLU C C 175.355 0.2 1 682 69 69 GLU N N 128.893 0.1 1 683 69 69 GLU H H 9.027 0.02 1 684 69 69 GLU CA C 54.559 0.2 1 685 69 69 GLU HA H 5.043 0.02 1 686 69 69 GLU CB C 29.223 0.2 1 687 69 69 GLU HB3 H 1.982 0.02 2 688 69 69 GLU HB2 H 2.131 0.02 2 689 69 69 GLU CG C 35.293 0.2 1 690 69 69 GLU HG2 H 2.723 0.02 2 691 69 69 GLU C C 175.055 0.2 1 692 70 70 PHE N N 121.874 0.1 1 693 70 70 PHE H H 9.456 0.02 1 694 70 70 PHE CA C 53.000 0.2 1 695 70 70 PHE HA H 5.182 0.02 1 696 70 70 PHE CB C 40.294 0.2 1 697 70 70 PHE HB3 H 3.322 0.02 2 698 70 70 PHE HB2 H 3.223 0.02 2 699 70 70 PHE CD1 C 128.068 0.2 3 700 70 70 PHE HD1 H 7.055 0.02 3 701 70 70 PHE CE1 C 127.383 0.2 3 702 70 70 PHE HE1 H 7.235 0.02 3 703 70 70 PHE C C 172.191 0.2 1 704 71 71 ASP N N 118.787 0.1 1 705 71 71 ASP H H 8.506 0.02 1 706 71 71 ASP CA C 51.839 0.2 1 707 71 71 ASP HA H 5.197 0.02 1 708 71 71 ASP CB C 40.729 0.2 1 709 71 71 ASP HB3 H 2.633 0.02 2 710 71 71 ASP HB2 H 2.753 0.02 2 711 71 71 ASP C C 174.755 0.2 1 712 72 72 GLU N N 121.127 0.1 1 713 72 72 GLU H H 8.595 0.02 1 714 72 72 GLU CA C 53.000 0.2 1 715 72 72 GLU HA H 4.696 0.02 1 716 72 72 GLU CB C 31.321 0.2 1 717 72 72 GLU HB3 H 2.063 0.02 2 718 72 72 GLU HG3 H 2.323 0.02 2 719 72 72 GLU HG2 H 2.476 0.02 2 720 72 72 GLU C C 172.794 0.2 1 721 73 73 LYS N N 124.180 0.1 1 722 73 73 LYS H H 8.130 0.02 1 723 73 73 LYS CA C 51.970 0.2 1 724 73 73 LYS HA H 5.460 0.02 1 725 73 73 LYS CB C 32.178 0.2 1 726 73 73 LYS HB3 H 1.861 0.02 2 727 73 73 LYS CG C 22.740 0.2 1 728 73 73 LYS HG3 H 1.500 0.02 2 729 73 73 LYS HD3 H 1.700 0.02 2 730 73 73 LYS CE C 39.866 0.2 1 731 73 73 LYS HE3 H 2.970 0.02 2 732 73 73 LYS C C 176.632 0.2 1 733 74 74 THR N N 114.211 0.1 1 734 74 74 THR H H 9.026 0.02 1 735 74 74 THR CA C 58.852 0.2 1 736 74 74 THR HA H 4.535 0.02 1 737 74 74 THR CB C 68.804 0.2 1 738 74 74 THR HB H 4.107 0.02 1 739 74 74 THR CG2 C 19.929 0.2 1 740 74 74 THR HG2 H 1.168 0.02 1 741 74 74 THR C C 177.452 0.2 1 742 75 75 SER N N 112.147 0.1 1 743 75 75 SER H H 8.517 0.02 1 744 75 75 SER CA C 59.630 0.2 1 745 75 75 SER HA H 4.001 0.02 1 746 75 75 SER HB3 H 3.837 0.02 2 747 75 75 SER C C 174.152 0.2 1 748 76 76 ASP N N 112.614 0.1 1 749 76 76 ASP H H 8.114 0.02 1 750 76 76 ASP CA C 51.434 0.2 1 751 76 76 ASP HA H 4.557 0.02 1 752 76 76 ASP CB C 39.385 0.2 1 753 76 76 ASP HB3 H 2.835 0.02 2 754 76 76 ASP HB2 H 2.665 0.02 2 755 76 76 ASP C C 174.450 0.2 1 756 77 77 GLY N N 106.123 0.1 1 757 77 77 GLY H H 7.748 0.02 1 758 77 77 GLY CA C 43.259 0.2 1 759 77 77 GLY HA3 H 4.391 0.02 2 760 77 77 GLY HA2 H 3.593 0.02 2 761 77 77 GLY C C 174.169 0.2 1 762 78 78 ARG N N 118.431 0.1 1 763 78 78 ARG H H 7.327 0.02 1 764 78 78 ARG CA C 53.863 0.2 1 765 78 78 ARG HA H 4.288 0.02 1 766 78 78 ARG CB C 29.802 0.2 1 767 78 78 ARG HB3 H 1.919 0.02 2 768 78 78 ARG HB2 H 2.006 0.02 2 769 78 78 ARG CG C 25.517 0.2 1 770 78 78 ARG HG3 H 1.811 0.02 2 771 78 78 ARG HG2 H 1.664 0.02 2 772 78 78 ARG CD C 38.311 0.2 1 773 78 78 ARG HD3 H 2.958 0.02 2 774 78 78 ARG C C 174.904 0.2 1 775 79 79 ASN N N 119.001 0.1 1 776 79 79 ASN H H 8.480 0.02 1 777 79 79 ASN CA C 51.441 0.2 1 778 79 79 ASN HA H 5.265 0.02 1 779 79 79 ASN CB C 37.732 0.2 1 780 79 79 ASN HB3 H 2.721 0.02 2 781 79 79 ASN HB2 H 2.867 0.02 2 782 79 79 ASN C C 174.498 0.2 1 783 80 80 VAL N N 115.593 0.1 1 784 80 80 VAL H H 9.069 0.02 1 785 80 80 VAL CA C 56.508 0.2 1 786 80 80 VAL HA H 4.939 0.02 1 787 80 80 VAL CB C 33.878 0.2 1 788 80 80 VAL HB H 1.800 0.02 1 789 80 80 VAL CG2 C 22.899 0.2 1 790 80 80 VAL HG2 H 0.692 0.02 2 791 80 80 VAL HG1 H 0.888 0.02 2 792 80 80 VAL C C 174.303 0.2 1 793 81 81 LYS N N 120.171 0.1 1 794 81 81 LYS H H 8.270 0.02 1 795 81 81 LYS CA C 52.022 0.2 1 796 81 81 LYS HA H 4.904 0.02 1 797 81 81 LYS CB C 32.407 0.2 1 798 81 81 LYS HB3 H 2.048 0.02 2 799 81 81 LYS HB2 H 1.858 0.02 2 800 81 81 LYS CG C 22.598 0.2 1 801 81 81 LYS HG3 H 1.505 0.02 2 802 81 81 LYS HG2 H 1.566 0.02 2 803 81 81 LYS CD C 26.862 0.2 1 804 81 81 LYS HD3 H 1.693 0.02 2 805 81 81 LYS CE C 39.861 0.2 1 806 81 81 LYS HE3 H 2.900 0.02 2 807 81 81 LYS C C 176.259 0.2 1 808 82 82 SER N N 123.469 0.1 1 809 82 82 SER H H 9.091 0.02 1 810 82 82 SER CA C 54.559 0.2 1 811 82 82 SER HA H 5.807 0.02 1 812 82 82 SER CB C 66.377 0.2 1 813 82 82 SER HB3 H 3.650 0.02 2 814 82 82 SER HB2 H 2.949 0.02 2 815 82 82 SER C C 171.289 0.2 1 816 83 83 VAL N N 116.020 0.1 1 817 83 83 VAL H H 7.840 0.02 1 818 83 83 VAL CA C 59.627 0.2 1 819 83 83 VAL HA H 4.140 0.02 1 820 83 83 VAL CB C 33.827 0.2 1 821 83 83 VAL HB H 1.922 0.02 1 822 83 83 VAL CG2 C 22.550 0.2 1 823 83 83 VAL HG2 H 0.861 0.02 2 824 83 83 VAL C C 173.848 0.2 1 825 84 84 VAL N N 127.933 0.1 1 826 84 84 VAL H H 9.985 0.02 1 827 84 84 VAL CA C 59.380 0.2 1 828 84 84 VAL HA H 4.780 0.02 1 829 84 84 VAL CB C 30.738 0.2 1 830 84 84 VAL HB H 1.995 0.02 1 831 84 84 VAL CG2 C 19.089 0.2 1 832 84 84 VAL HG2 H 0.851 0.02 2 833 84 84 VAL HG1 H 0.135 0.02 2 834 84 84 VAL C C 174.151 0.2 1 835 85 85 GLU N N 126.028 0.1 1 836 85 85 GLU H H 9.403 0.02 1 837 85 85 GLU CA C 51.836 0.2 1 838 85 85 GLU HA H 4.731 0.02 1 839 85 85 GLU CB C 30.745 0.2 1 840 85 85 GLU HB3 H 1.935 0.02 2 841 85 85 GLU HB2 H 2.027 0.02 2 842 85 85 GLU HG3 H 2.279 0.02 2 843 85 85 GLU C C 173.921 0.2 1 844 86 86 LYS N N 123.787 0.1 1 845 86 86 LYS H H 8.715 0.02 1 846 86 86 LYS CA C 52.997 0.2 1 847 86 86 LYS HA H 4.279 0.02 1 848 86 86 LYS CB C 30.195 0.2 1 849 86 86 LYS HB3 H 2.029 0.02 2 850 86 86 LYS HB2 H 1.937 0.02 2 851 86 86 LYS CG C 22.655 0.2 1 852 86 86 LYS HG3 H 1.279 0.02 2 853 86 86 LYS HD3 H 1.616 0.02 2 854 86 86 LYS CE C 40.166 0.2 1 855 86 86 LYS HE3 H 3.005 0.02 2 856 86 86 LYS HZ H 7.272 0.02 1 857 86 86 LYS C C 175.053 0.2 1 858 87 87 ASN N N 126.023 0.1 1 859 87 87 ASN H H 8.502 0.02 1 860 87 87 ASN CA C 54.180 0.2 1 861 87 87 ASN HA H 4.524 0.02 1 862 87 87 ASN CB C 38.423 0.2 1 863 87 87 ASN HB3 H 3.029 0.02 2 864 87 87 ASN HB2 H 2.749 0.02 2 865 87 87 ASN C C 174.453 0.2 1 866 88 88 SER N N 111.770 0.1 1 867 88 88 SER H H 8.722 0.02 1 868 88 88 SER CA C 54.743 0.2 1 869 88 88 SER HA H 4.585 0.02 1 870 88 88 SER CB C 62.958 0.2 1 871 88 88 SER HB3 H 4.276 0.02 2 872 88 88 SER HB2 H 3.824 0.02 2 873 88 88 SER C C 172.858 0.2 1 874 89 89 GLU N N 114.042 0.1 1 875 89 89 GLU H H 8.811 0.02 1 876 89 89 GLU CA C 56.504 0.2 1 877 89 89 GLU HA H 4.934 0.02 1 878 89 89 GLU CB C 27.913 0.2 1 879 89 89 GLU HB3 H 2.137 0.02 2 880 89 89 GLU HB2 H 2.393 0.02 2 881 89 89 GLU CG C 33.992 0.2 1 882 89 89 GLU HG3 H 2.252 0.02 2 883 89 89 GLU C C 175.577 0.2 1 884 90 90 SER N N 108.465 0.1 1 885 90 90 SER H H 8.364 0.02 1 886 90 90 SER CA C 54.949 0.2 1 887 90 90 SER HA H 4.667 0.02 1 888 90 90 SER CB C 63.554 0.2 1 889 90 90 SER HB3 H 4.084 0.02 2 890 90 90 SER HB2 H 4.365 0.02 2 891 90 90 SER C C 172.193 0.2 1 892 91 91 LYS N N 123.258 0.1 1 893 91 91 LYS H H 7.370 0.02 1 894 91 91 LYS CA C 54.169 0.2 1 895 91 91 LYS HA H 5.666 0.02 1 896 91 91 LYS CB C 34.709 0.2 1 897 91 91 LYS HB3 H 1.825 0.02 2 898 91 91 LYS CG C 22.508 0.2 1 899 91 91 LYS HD3 H 1.655 0.02 2 900 91 91 LYS CE C 39.652 0.2 1 901 91 91 LYS HE3 H 2.995 0.02 2 902 91 91 LYS C C 172.797 0.2 1 903 92 92 LEU N N 123.152 0.1 1 904 92 92 LEU H H 8.780 0.02 1 905 92 92 LEU CA C 51.051 0.2 1 906 92 92 LEU HA H 5.217 0.02 1 907 92 92 LEU CB C 45.426 0.2 1 908 92 92 LEU HB3 H 1.519 0.02 2 909 92 92 LEU HG H 1.278 0.02 1 910 92 92 LEU CD1 C 22.185 0.2 1 911 92 92 LEU HD1 H 1.179 0.02 2 912 92 92 LEU CD2 C 19.266 0.2 1 913 92 92 LEU HD2 H 0.891 0.02 2 914 92 92 LEU C C 177.012 0.2 1 915 93 93 THR N N 119.317 0.1 1 916 93 93 THR H H 9.039 0.02 1 917 93 93 THR CA C 61.186 0.2 1 918 93 93 THR HA H 4.928 0.02 1 919 93 93 THR CB C 69.368 0.2 1 920 93 93 THR HB H 3.995 0.02 1 921 93 93 THR CG2 C 18.803 0.2 1 922 93 93 THR HG2 H 1.005 0.02 1 923 93 93 THR C C 171.741 0.2 1 924 94 94 GLN N N 129.321 0.1 1 925 94 94 GLN H H 9.717 0.02 1 926 94 94 GLN CA C 50.653 0.2 1 927 94 94 GLN HA H 5.669 0.02 1 928 94 94 GLN CB C 33.340 0.2 1 929 94 94 GLN HB3 H 2.053 0.02 2 930 94 94 GLN HB2 H 1.936 0.02 2 931 94 94 GLN HG3 H 2.188 0.02 2 932 94 94 GLN C C 173.605 0.2 1 933 95 95 THR N N 130.812 0.1 1 934 95 95 THR H H 9.098 0.02 1 935 95 95 THR CA C 59.600 0.2 1 936 95 95 THR HA H 5.102 0.02 1 937 95 95 THR CB C 69.000 0.2 1 938 95 95 THR HB H 3.916 0.02 1 939 95 95 THR CG2 C 19.401 0.2 1 940 95 95 THR HG2 H 1.246 0.02 1 941 95 95 THR C C 173.550 0.2 1 942 96 96 GLN N N 121.447 0.1 1 943 96 96 GLN H H 9.375 0.02 1 944 96 96 GLN CA C 51.831 0.2 1 945 96 96 GLN HA H 5.043 0.02 1 946 96 96 GLN CB C 30.034 0.2 1 947 96 96 GLN HB3 H 2.164 0.02 2 948 96 96 GLN CG C 33.881 0.2 1 949 96 96 GLN HG3 H 2.454 0.02 2 950 96 96 GLN HG2 H 2.562 0.02 2 951 96 96 GLN C C 175.204 0.2 1 952 97 97 VAL N N 126.669 0.1 1 953 97 97 VAL H H 9.561 0.02 1 954 97 97 VAL CA C 60.969 0.2 1 955 97 97 VAL HA H 4.487 0.02 1 956 97 97 VAL CB C 32.231 0.2 1 957 97 97 VAL HB H 2.060 0.02 1 958 97 97 VAL CG2 C 19.159 0.2 1 959 97 97 VAL HG2 H 0.862 0.02 2 960 97 97 VAL HG1 H 0.967 0.02 2 961 97 97 VAL C C 174.749 0.2 1 962 98 98 ASP N N 131.287 0.1 1 963 98 98 ASP H H 8.804 0.02 1 964 98 98 ASP CA C 49.710 0.2 1 965 98 98 ASP HA H 5.182 0.02 1 966 98 98 ASP CB C 40.578 0.2 1 967 98 98 ASP HB3 H 2.770 0.02 2 968 98 98 ASP HB2 H 2.642 0.02 2 969 99 99 PRO CA C 63.525 0.2 1 970 99 99 PRO HA H 4.349 0.02 1 971 99 99 PRO CB C 31.167 0.2 1 972 99 99 PRO HB3 H 2.494 0.02 2 973 99 99 PRO HB2 H 2.606 0.02 2 974 99 99 PRO CG C 25.957 0.2 1 975 99 99 PRO HG3 H 1.835 0.02 2 976 99 99 PRO CD C 51.841 0.2 1 977 99 99 PRO HD2 H 3.751 0.02 2 978 99 99 PRO C C 176.108 0.2 1 979 100 100 LYS N N 114.101 0.1 1 980 100 100 LYS H H 9.128 0.02 1 981 100 100 LYS CA C 54.559 0.2 1 982 100 100 LYS HA H 4.453 0.02 1 983 100 100 LYS CB C 33.288 0.2 1 984 100 100 LYS HB3 H 1.815 0.02 2 985 100 100 LYS CG C 23.053 0.2 1 986 100 100 LYS HG3 H 1.500 0.02 2 987 100 100 LYS CD C 27.202 0.2 1 988 100 100 LYS HD3 H 1.663 0.02 2 989 100 100 LYS CE C 40.204 0.2 1 990 100 100 LYS HE3 H 2.904 0.02 2 991 100 100 LYS C C 175.657 0.2 1 992 101 101 ASN N N 117.617 0.1 1 993 101 101 ASN H H 8.869 0.02 1 994 101 101 ASN CA C 51.046 0.2 1 995 101 101 ASN HA H 5.043 0.02 1 996 101 101 ASN CB C 43.282 0.2 1 997 101 101 ASN HB3 H 2.646 0.02 2 998 101 101 ASN HB2 H 2.196 0.02 2 999 101 101 ASN C C 173.257 0.2 1 1000 102 102 THR N N 116.551 0.1 1 1001 102 102 THR H H 8.620 0.02 1 1002 102 102 THR CA C 60.403 0.2 1 1003 102 102 THR HA H 5.068 0.02 1 1004 102 102 THR CB C 69.667 0.2 1 1005 102 102 THR HB H 4.068 0.02 1 1006 102 102 THR CG2 C 18.996 0.2 1 1007 102 102 THR HG2 H 1.238 0.02 1 1008 102 102 THR C C 172.946 0.2 1 1009 103 103 THR N N 123.255 0.1 1 1010 103 103 THR H H 9.169 0.02 1 1011 103 103 THR CA C 59.242 0.2 1 1012 103 103 THR HA H 5.008 0.02 1 1013 103 103 THR CB C 68.311 0.2 1 1014 103 103 THR HB H 4.061 0.02 1 1015 103 103 THR CG2 C 19.023 0.2 1 1016 103 103 THR HG2 H 1.020 0.02 1 1017 103 103 THR C C 173.839 0.2 1 1018 104 104 VAL N N 122.299 0.1 1 1019 104 104 VAL H H 9.417 0.02 1 1020 104 104 VAL CA C 59.627 0.2 1 1021 104 104 VAL HA H 5.545 0.02 1 1022 104 104 VAL CB C 31.815 0.2 1 1023 104 104 VAL HB H 2.049 0.02 1 1024 104 104 VAL CG2 C 19.565 0.2 1 1025 104 104 VAL HG2 H 1.111 0.02 2 1026 104 104 VAL C C 173.357 0.2 1 1027 105 105 ILE N N 129.423 0.1 1 1028 105 105 ILE H H 9.933 0.02 1 1029 105 105 ILE CA C 58.073 0.2 1 1030 105 105 ILE HA H 5.460 0.02 1 1031 105 105 ILE CB C 39.100 0.2 1 1032 105 105 ILE HB H 1.811 0.02 1 1033 105 105 ILE CG1 C 25.576 0.2 2 1034 105 105 ILE HG13 H 1.568 0.02 1 1035 105 105 ILE CD1 C 11.399 0.2 1 1036 105 105 ILE HD1 H 0.846 0.02 1 1037 105 105 ILE CG2 C 15.756 0.2 1 1038 105 105 ILE C C 175.802 0.2 1 1039 106 106 VAL N N 131.024 0.1 1 1040 106 106 VAL H H 9.169 0.02 1 1041 106 106 VAL CA C 59.785 0.2 1 1042 106 106 VAL HA H 4.795 0.02 1 1043 106 106 VAL CB C 31.204 0.2 1 1044 106 106 VAL HB H 1.986 0.02 1 1045 106 106 VAL CG2 C 19.114 0.2 1 1046 106 106 VAL HG2 H 0.980 0.02 2 1047 106 106 VAL C C 174.602 0.2 1 1048 107 107 ARG N N 123.897 0.1 1 1049 107 107 ARG H H 8.892 0.02 1 1050 107 107 ARG CA C 52.218 0.2 1 1051 107 107 ARG HA H 5.119 0.02 1 1052 107 107 ARG CB C 31.747 0.2 1 1053 107 107 ARG HB3 H 2.064 0.02 2 1054 107 107 ARG HB2 H 1.983 0.02 2 1055 107 107 ARG CG C 25.769 0.2 1 1056 107 107 ARG HG3 H 1.825 0.02 2 1057 107 107 ARG CD C 39.968 0.2 1 1058 107 107 ARG C C 173.399 0.2 1 1059 108 108 GLU N N 120.916 0.1 1 1060 108 108 GLU H H 8.909 0.02 1 1061 108 108 GLU CA C 52.220 0.2 1 1062 108 108 GLU HA H 5.465 0.02 1 1063 108 108 GLU CB C 32.440 0.2 1 1064 108 108 GLU HB3 H 2.045 0.02 2 1065 108 108 GLU CG C 34.542 0.2 1 1066 108 108 GLU HG3 H 2.179 0.02 2 1067 108 108 GLU C C 174.453 0.2 1 1068 109 109 VAL N N 123.896 0.1 1 1069 109 109 VAL H H 8.659 0.02 1 1070 109 109 VAL CA C 59.386 0.2 1 1071 109 109 VAL HA H 4.314 0.02 1 1072 109 109 VAL CB C 32.437 0.2 1 1073 109 109 VAL HB H 2.128 0.02 1 1074 109 109 VAL CG2 C 19.186 0.2 1 1075 109 109 VAL HG2 H 1.181 0.02 2 1076 109 109 VAL HG1 H 0.944 0.02 2 1077 109 109 VAL C C 174.170 0.2 1 1078 110 110 ASP N N 126.981 0.1 1 1079 110 110 ASP H H 8.726 0.02 1 1080 110 110 ASP CA C 51.043 0.2 1 1081 110 110 ASP HA H 4.765 0.02 1 1082 110 110 ASP CB C 39.892 0.2 1 1083 110 110 ASP HB3 H 2.730 0.02 2 1084 110 110 ASP HB2 H 2.638 0.02 2 1085 110 110 ASP C C 175.807 0.2 1 1086 111 111 GLY N N 114.426 0.1 1 1087 111 111 GLY H H 8.902 0.02 1 1088 111 111 GLY CA C 45.979 0.2 1 1089 111 111 GLY HA3 H 3.709 0.02 2 1090 111 111 GLY HA2 H 4.754 0.02 2 1091 111 111 GLY C C 173.548 0.2 1 1092 112 112 ASP N N 126.451 0.1 1 1093 112 112 ASP H H 8.843 0.02 1 1094 112 112 ASP CA C 52.221 0.2 1 1095 112 112 ASP HA H 4.910 0.02 1 1096 112 112 ASP CB C 39.151 0.2 1 1097 112 112 ASP HB3 H 2.736 0.02 2 1098 112 112 ASP C C 174.455 0.2 1 1099 113 113 THR N N 114.741 0.1 1 1100 113 113 THR H H 8.169 0.02 1 1101 113 113 THR CA C 59.706 0.2 1 1102 113 113 THR HA H 5.530 0.02 1 1103 113 113 THR CB C 69.900 0.2 1 1104 113 113 THR HB H 4.169 0.02 1 1105 113 113 THR CG2 C 19.600 0.2 1 1106 113 113 THR HG2 H 1.235 0.02 1 1107 113 113 THR C C 171.237 0.2 1 1108 114 114 MET N N 125.601 0.1 1 1109 114 114 MET H H 9.079 0.02 1 1110 114 114 MET CA C 51.841 0.2 1 1111 114 114 MET HA H 4.705 0.02 1 1112 114 114 MET CB C 32.727 0.2 1 1113 114 114 MET HB3 H 2.077 0.02 2 1114 114 114 MET HB2 H 1.871 0.02 2 1115 114 114 MET CG C 26.951 0.2 1 1116 114 114 MET HG3 H 2.191 0.02 2 1117 114 114 MET CE C 19.435 0.2 1 1118 114 114 MET C C 173.848 0.2 1 1119 115 115 LYS N N 129.211 0.1 1 1120 115 115 LYS H H 9.077 0.02 1 1121 115 115 LYS CA C 53.391 0.2 1 1122 115 115 LYS HA H 5.043 0.02 1 1123 115 115 LYS CB C 32.017 0.2 1 1124 115 115 LYS HB3 H 1.823 0.02 2 1125 115 115 LYS CG C 22.643 0.2 1 1126 115 115 LYS HG3 H 1.360 0.02 2 1127 115 115 LYS CD C 27.132 0.2 1 1128 115 115 LYS HD3 H 1.674 0.02 2 1129 115 115 LYS CE C 39.926 0.2 1 1130 115 115 LYS HE3 H 3.094 0.02 2 1131 115 115 LYS HE2 H 3.279 0.02 2 1132 115 115 LYS C C 170.576 0.2 1 1133 116 116 THR N N 115.446 0.1 1 1134 116 116 THR H H 7.691 0.02 1 1135 116 116 THR CA C 63.569 0.2 1 1136 116 116 THR HA H 4.115 0.02 1 1137 116 116 THR CB C 66.543 0.2 1 1138 116 116 THR HB H 3.788 0.02 1 1139 116 116 THR C C 175.807 0.2 1 1140 117 117 THR N N 122.939 0.1 1 1141 117 117 THR H H 8.505 0.02 1 1142 117 117 THR CA C 56.898 0.2 1 1143 117 117 THR HA H 4.955 0.02 1 1144 117 117 THR CB C 68.944 0.2 1 1145 117 117 THR HB H 3.974 0.02 1 1146 117 117 THR HG2 H 0.668 0.02 1 1147 117 117 THR C C 173.153 0.2 1 1148 118 118 VAL N N 124.322 0.1 1 1149 118 118 VAL H H 9.141 0.02 1 1150 118 118 VAL CA C 59.453 0.2 1 1151 118 118 VAL HA H 4.800 0.02 1 1152 118 118 VAL CB C 32.809 0.2 1 1153 118 118 VAL HB H 1.994 0.02 1 1154 118 118 VAL CG2 C 19.625 0.2 1 1155 118 118 VAL HG2 H 0.992 0.02 2 1156 118 118 VAL HG1 H 1.020 0.02 2 1157 118 118 VAL C C 174.182 0.2 1 1158 119 119 THR N N 122.088 0.1 1 1159 119 119 THR H H 9.241 0.02 1 1160 119 119 THR CA C 59.627 0.2 1 1161 119 119 THR HA H 5.480 0.02 1 1162 119 119 THR CB C 70.218 0.2 1 1163 119 119 THR HB H 3.786 0.02 1 1164 119 119 THR CG2 C 19.651 0.2 1 1165 119 119 THR HG2 H 1.185 0.02 1 1166 119 119 THR C C 173.206 0.2 1 1167 120 120 VAL N N 126.640 0.1 1 1168 120 120 VAL H H 8.998 0.02 1 1169 120 120 VAL CA C 58.467 0.2 1 1170 120 120 VAL HA H 4.522 0.02 1 1171 120 120 VAL CB C 31.605 0.2 1 1172 120 120 VAL HB H 1.982 0.02 1 1173 120 120 VAL CG2 C 19.130 0.2 1 1174 120 120 VAL HG2 H 0.922 0.02 2 1175 120 120 VAL HG1 H 0.852 0.02 2 1176 120 120 VAL C C 175.203 0.2 1 1177 121 121 GLY N N 115.494 0.1 1 1178 121 121 GLY H H 9.194 0.02 1 1179 121 121 GLY CA C 45.594 0.2 1 1180 121 121 GLY HA3 H 3.962 0.02 2 1181 121 121 GLY HA2 H 3.635 0.02 2 1182 121 121 GLY C C 173.699 0.2 1 1183 122 122 ASP N N 124.853 0.1 1 1184 122 122 ASP H H 8.642 0.02 1 1185 122 122 ASP CA C 51.441 0.2 1 1186 122 122 ASP HA H 4.557 0.02 1 1187 122 122 ASP CB C 39.019 0.2 1 1188 122 122 ASP HB3 H 2.753 0.02 2 1189 122 122 ASP HB2 H 2.429 0.02 2 1190 122 122 ASP C C 174.904 0.2 1 1191 123 123 VAL N N 121.494 0.1 1 1192 123 123 VAL H H 8.204 0.02 1 1193 123 123 VAL CA C 60.020 0.2 1 1194 123 123 VAL HA H 4.267 0.02 1 1195 123 123 VAL CB C 31.748 0.2 1 1196 123 123 VAL HB H 2.144 0.02 1 1197 123 123 VAL CG2 C 19.596 0.2 1 1198 123 123 VAL HG2 H 0.820 0.02 2 1199 123 123 VAL HG1 H 1.010 0.02 2 1200 123 123 VAL C C 173.398 0.2 1 1201 124 124 THR N N 120.701 0.1 1 1202 124 124 THR H H 8.531 0.02 1 1203 124 124 THR CA C 59.237 0.2 1 1204 124 124 THR HA H 4.803 0.02 1 1205 124 124 THR CB C 70.850 0.2 1 1206 124 124 THR HB H 4.333 0.02 1 1207 124 124 THR CG2 C 19.332 0.2 1 1208 124 124 THR HG2 H 1.140 0.02 1 1209 124 124 THR C C 173.247 0.2 1 1210 125 125 ALA N N 128.471 0.1 1 1211 125 125 ALA H H 9.710 0.02 1 1212 125 125 ALA CA C 48.324 0.2 1 1213 125 125 ALA HA H 5.217 0.02 1 1214 125 125 ALA CB C 20.907 0.2 1 1215 125 125 ALA HB H 1.523 0.02 1 1216 125 125 ALA C C 174.823 0.2 1 1217 126 126 ILE N N 119.958 0.1 1 1218 126 126 ILE H H 8.569 0.02 1 1219 126 126 ILE CA C 57.678 0.2 1 1220 126 126 ILE HA H 4.928 0.02 1 1221 126 126 ILE CB C 39.883 0.2 1 1222 126 126 ILE HB H 1.807 0.02 1 1223 126 126 ILE CG1 C 25.604 0.2 2 1224 126 126 ILE CD1 C 11.126 0.2 1 1225 126 126 ILE HD1 H 0.875 0.02 1 1226 126 126 ILE CG2 C 15.746 0.2 1 1227 126 126 ILE HG2 H 0.705 0.02 1 1228 126 126 ILE C C 175.355 0.2 1 1229 127 127 ARG N N 124.639 0.1 1 1230 127 127 ARG H H 8.726 0.02 1 1231 127 127 ARG CA C 51.834 0.2 1 1232 127 127 ARG HA H 5.000 0.02 1 1233 127 127 ARG CB C 29.585 0.2 1 1234 127 127 ARG HB3 H 1.929 0.02 2 1235 127 127 ARG HB2 H 1.807 0.02 2 1236 127 127 ARG CG C 26.052 0.2 1 1237 127 127 ARG HG3 H 1.469 0.02 2 1238 127 127 ARG HG2 H 1.425 0.02 2 1239 127 127 ARG HD3 H 3.151 0.02 2 1240 127 127 ARG HD2 H 2.504 0.02 2 1241 127 127 ARG C C 174.151 0.2 1 1242 128 128 ASN N N 122.193 0.1 1 1243 128 128 ASN H H 9.001 0.02 1 1244 128 128 ASN CA C 49.576 0.2 1 1245 128 128 ASN HA H 6.000 0.02 1 1246 128 128 ASN CB C 38.458 0.2 1 1247 128 128 ASN HB2 H 2.759 0.02 2 1248 128 128 ASN C C 173.699 0.2 1 1249 129 129 TYR N N 119.000 0.1 1 1250 129 129 TYR H H 9.638 0.02 1 1251 129 129 TYR CA C 54.556 0.2 1 1252 129 129 TYR HA H 5.388 0.02 1 1253 129 129 TYR CB C 41.781 0.2 1 1254 129 129 TYR HB3 H 3.146 0.02 2 1255 129 129 TYR HB2 H 3.231 0.02 2 1256 129 129 TYR HE1 H 6.882 0.02 3 1257 129 129 TYR C C 174.602 0.2 1 1258 130 130 LYS N N 120.174 0.1 1 1259 130 130 LYS H H 9.279 0.02 1 1260 130 130 LYS CA C 51.827 0.2 1 1261 130 130 LYS HA H 5.486 0.02 1 1262 130 130 LYS CB C 34.305 0.2 1 1263 130 130 LYS HB3 H 1.949 0.02 2 1264 130 130 LYS CG C 22.548 0.2 1 1265 130 130 LYS HG3 H 1.500 0.02 2 1266 130 130 LYS CD C 27.973 0.2 1 1267 130 130 LYS HD3 H 1.579 0.02 2 1268 130 130 LYS CE C 39.994 0.2 1 1269 130 130 LYS HE3 H 3.059 0.02 2 1270 130 130 LYS C C 175.655 0.2 1 1271 131 131 ARG N N 124.640 0.1 1 1272 131 131 ARG H H 8.491 0.02 1 1273 131 131 ARG CA C 55.339 0.2 1 1274 131 131 ARG HA H 4.888 0.02 1 1275 131 131 ARG CB C 29.173 0.2 1 1276 131 131 ARG HB3 H 1.796 0.02 2 1277 131 131 ARG HG3 H 1.661 0.02 2 1278 131 131 ARG HG2 H 1.392 0.02 2 1279 131 131 ARG C C 176.108 0.2 1 1280 132 132 LEU N N 127.939 0.1 1 1281 132 132 LEU H H 9.050 0.02 1 1282 132 132 LEU CA C 52.616 0.2 1 1283 132 132 LEU HA H 4.487 0.02 1 1284 132 132 LEU CB C 41.427 0.2 1 1285 132 132 LEU HB3 H 1.644 0.02 2 1286 132 132 LEU HB2 H 1.569 0.02 2 1287 132 132 LEU CG C 23.723 0.2 1 1288 132 132 LEU HG H 1.454 0.02 1 1289 132 132 LEU CD1 C 21.037 0.2 1 1290 132 132 LEU HD1 H 0.914 0.02 2 1291 132 132 LEU CD2 C 18.880 0.2 1 1292 132 132 LEU HD2 H 0.508 0.02 2 1293 132 132 LEU C C 175.883 0.2 1 1294 133 133 SER N N 120.593 0.1 1 1295 133 133 SER H H 7.866 0.02 1 1296 133 133 SER CA C 57.679 0.2 1 1297 133 133 SER HA H 4.153 0.02 1 1298 133 133 SER CB C 62.590 0.2 1 1299 133 133 SER HB3 H 3.725 0.02 2 stop_ save_