data_10073 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; C2 domain-containing protein from putative elicitor-responsive gene ; _BMRB_accession_number 10073 _BMRB_flat_file_name bmr10073.str _Entry_type original _Submission_date 2006-12-25 _Accession_date 2006-12-27 _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 Nagashima T. . . 2 Hayashi F. . . 3 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 754 "13C chemical shifts" 581 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-14 original author . stop_ _Original_release_date 2008-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'C2 domain-containing protein from putative elicitor-responsive gene' _Citation_status 'in preparation' _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 Nagashima T. . . 2 Hayashi F. . . 3 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'putative elicitor-responsive gene' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'putative elicitor-responsive gene' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C2 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; GSSGSSGPHGTLEVVLVSAK GLEDADFLNNMDPYVQLTCR TQDQKSNVAEGMGTTPEWNE TFIFTVSEGTTELKAKIFDK DVGTEDDAVGEATIPLEPVF VEGSIPPTAYNVVKDEEYKG EIWVALSFKPSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 HIS 10 GLY 11 THR 12 LEU 13 GLU 14 VAL 15 VAL 16 LEU 17 VAL 18 SER 19 ALA 20 LYS 21 GLY 22 LEU 23 GLU 24 ASP 25 ALA 26 ASP 27 PHE 28 LEU 29 ASN 30 ASN 31 MET 32 ASP 33 PRO 34 TYR 35 VAL 36 GLN 37 LEU 38 THR 39 CYS 40 ARG 41 THR 42 GLN 43 ASP 44 GLN 45 LYS 46 SER 47 ASN 48 VAL 49 ALA 50 GLU 51 GLY 52 MET 53 GLY 54 THR 55 THR 56 PRO 57 GLU 58 TRP 59 ASN 60 GLU 61 THR 62 PHE 63 ILE 64 PHE 65 THR 66 VAL 67 SER 68 GLU 69 GLY 70 THR 71 THR 72 GLU 73 LEU 74 LYS 75 ALA 76 LYS 77 ILE 78 PHE 79 ASP 80 LYS 81 ASP 82 VAL 83 GLY 84 THR 85 GLU 86 ASP 87 ASP 88 ALA 89 VAL 90 GLY 91 GLU 92 ALA 93 THR 94 ILE 95 PRO 96 LEU 97 GLU 98 PRO 99 VAL 100 PHE 101 VAL 102 GLU 103 GLY 104 SER 105 ILE 106 PRO 107 PRO 108 THR 109 ALA 110 TYR 111 ASN 112 VAL 113 VAL 114 LYS 115 ASP 116 GLU 117 GLU 118 TYR 119 LYS 120 GLY 121 GLU 122 ILE 123 TRP 124 VAL 125 ALA 126 LEU 127 SER 128 PHE 129 LYS 130 PRO 131 SER 132 GLY 133 PRO 134 SER 135 SER 136 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WFJ "C2 Domain-Containing Protein From Putative Elicitor- Responsive Gene" 100.00 136 100.00 100.00 2.75e-92 GB AAG52148 "putative elicitor-responsive gene; 59810-58583 [Arabidopsis thaliana]" 91.18 147 100.00 100.00 7.11e-84 GB AAK96814 "putative elicitor-responsive gene [Arabidopsis thaliana]" 91.18 147 100.00 100.00 7.11e-84 GB AAM10066 "putative elicitor-responsive gene [Arabidopsis thaliana]" 91.18 147 100.00 100.00 7.11e-84 GB AAM63058 "putative elicitor-responsive gene [Arabidopsis thaliana]" 94.12 147 98.44 98.44 7.59e-85 GB AEE34071 "calcium-dependent lipid-binding domain-containing protein [Arabidopsis thaliana]" 91.18 147 100.00 100.00 7.11e-84 REF NP_176511 "calcium-dependent lipid-binding domain-containing protein [Arabidopsis thaliana]" 91.18 147 100.00 100.00 7.11e-84 REF XP_002887967 "C2 domain-containing protein [Arabidopsis lyrata subsp. lyrata]" 91.18 147 98.39 100.00 7.92e-83 SP Q9C8S6 "RecName: Full=C2 domain-containing protein At1g63220" 91.18 147 100.00 100.00 7.11e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P031104-14 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 $entity_1 1.19 mM '[U-13C; U-15N]' NaPi 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.8992 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'putative elicitor-responsive gene' _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 4 4 GLY HA2 H 4.022 0.030 1 2 4 4 GLY HA3 H 4.022 0.030 1 3 4 4 GLY C C 174.193 0.300 1 4 4 4 GLY CA C 45.411 0.300 1 5 5 5 SER H H 8.249 0.030 1 6 5 5 SER HA H 4.542 0.030 1 7 5 5 SER HB2 H 3.869 0.030 1 8 5 5 SER HB3 H 3.869 0.030 1 9 5 5 SER C C 174.513 0.300 1 10 5 5 SER CA C 58.223 0.300 1 11 5 5 SER CB C 64.118 0.300 1 12 5 5 SER N N 115.719 0.300 1 13 6 6 SER H H 8.410 0.030 1 14 6 6 SER HA H 4.555 0.030 1 15 6 6 SER HB2 H 3.867 0.030 1 16 6 6 SER HB3 H 3.867 0.030 1 17 6 6 SER C C 174.395 0.300 1 18 6 6 SER CA C 58.219 0.300 1 19 6 6 SER CB C 64.147 0.300 1 20 6 6 SER N N 117.770 0.300 1 21 7 7 GLY H H 8.326 0.030 1 22 7 7 GLY HA2 H 4.082 0.030 2 23 7 7 GLY HA3 H 3.977 0.030 2 24 7 7 GLY C C 174.204 0.300 1 25 7 7 GLY CA C 44.683 0.300 1 26 7 7 GLY N N 110.705 0.300 1 27 8 8 PRO HA H 4.329 0.030 1 28 8 8 PRO HB2 H 1.649 0.030 2 29 8 8 PRO HB3 H 0.941 0.030 2 30 8 8 PRO HG2 H 1.426 0.030 2 31 8 8 PRO HG3 H 1.219 0.030 2 32 8 8 PRO HD2 H 3.393 0.030 2 33 8 8 PRO HD3 H 3.129 0.030 2 34 8 8 PRO C C 175.334 0.300 1 35 8 8 PRO CA C 62.923 0.300 1 36 8 8 PRO CB C 31.925 0.300 1 37 8 8 PRO CG C 26.976 0.300 1 38 8 8 PRO CD C 49.581 0.300 1 39 9 9 HIS H H 8.363 0.030 1 40 9 9 HIS HA H 4.946 0.030 1 41 9 9 HIS HB2 H 3.319 0.030 2 42 9 9 HIS HB3 H 3.176 0.030 2 43 9 9 HIS HD2 H 7.319 0.030 1 44 9 9 HIS HE1 H 8.363 0.030 1 45 9 9 HIS C C 174.450 0.300 1 46 9 9 HIS CA C 54.330 0.300 1 47 9 9 HIS CB C 30.808 0.300 1 48 9 9 HIS CD2 C 120.568 0.300 1 49 9 9 HIS CE1 C 136.897 0.300 1 50 9 9 HIS N N 115.685 0.300 1 51 10 10 GLY H H 8.557 0.030 1 52 10 10 GLY HA2 H 4.479 0.030 2 53 10 10 GLY HA3 H 4.116 0.030 2 54 10 10 GLY C C 171.994 0.300 1 55 10 10 GLY CA C 46.525 0.300 1 56 10 10 GLY N N 109.667 0.300 1 57 11 11 THR H H 8.419 0.030 1 58 11 11 THR HA H 4.954 0.030 1 59 11 11 THR HB H 3.886 0.030 1 60 11 11 THR HG2 H 1.189 0.030 1 61 11 11 THR C C 171.974 0.300 1 62 11 11 THR CA C 61.980 0.300 1 63 11 11 THR CB C 71.248 0.300 1 64 11 11 THR CG2 C 22.363 0.300 1 65 11 11 THR N N 118.644 0.300 1 66 12 12 LEU H H 9.633 0.030 1 67 12 12 LEU HA H 5.424 0.030 1 68 12 12 LEU HB2 H 2.085 0.030 2 69 12 12 LEU HB3 H 1.394 0.030 2 70 12 12 LEU HG H 1.566 0.030 1 71 12 12 LEU HD1 H 0.710 0.030 1 72 12 12 LEU HD2 H 1.011 0.030 1 73 12 12 LEU C C 173.711 0.300 1 74 12 12 LEU CA C 53.075 0.300 1 75 12 12 LEU CB C 47.318 0.300 1 76 12 12 LEU CG C 27.382 0.300 1 77 12 12 LEU CD1 C 27.953 0.300 2 78 12 12 LEU CD2 C 24.792 0.300 2 79 12 12 LEU N N 129.257 0.300 1 80 13 13 GLU H H 9.580 0.030 1 81 13 13 GLU HA H 5.228 0.030 1 82 13 13 GLU HB2 H 2.025 0.030 2 83 13 13 GLU HB3 H 1.943 0.030 2 84 13 13 GLU HG2 H 2.127 0.030 2 85 13 13 GLU HG3 H 1.940 0.030 2 86 13 13 GLU C C 175.315 0.300 1 87 13 13 GLU CA C 55.151 0.300 1 88 13 13 GLU CB C 31.696 0.300 1 89 13 13 GLU CG C 37.112 0.300 1 90 13 13 GLU N N 128.340 0.300 1 91 14 14 VAL H H 9.659 0.030 1 92 14 14 VAL HA H 4.787 0.030 1 93 14 14 VAL HB H 2.306 0.030 1 94 14 14 VAL HG1 H 0.981 0.030 1 95 14 14 VAL HG2 H 0.868 0.030 1 96 14 14 VAL C C 174.822 0.300 1 97 14 14 VAL CA C 60.564 0.300 1 98 14 14 VAL CB C 35.104 0.300 1 99 14 14 VAL CG1 C 22.010 0.300 2 100 14 14 VAL CG2 C 21.073 0.300 2 101 14 14 VAL N N 127.583 0.300 1 102 15 15 VAL H H 9.153 0.030 1 103 15 15 VAL HA H 4.871 0.030 1 104 15 15 VAL HB H 2.051 0.030 1 105 15 15 VAL HG1 H 0.794 0.030 1 106 15 15 VAL HG2 H 0.955 0.030 1 107 15 15 VAL C C 175.889 0.300 1 108 15 15 VAL CA C 61.391 0.300 1 109 15 15 VAL CB C 33.054 0.300 1 110 15 15 VAL CG1 C 20.709 0.300 2 111 15 15 VAL CG2 C 20.216 0.300 2 112 15 15 VAL N N 127.050 0.300 1 113 16 16 LEU H H 9.669 0.030 1 114 16 16 LEU HA H 4.687 0.030 1 115 16 16 LEU HB2 H 2.385 0.030 2 116 16 16 LEU HB3 H 1.270 0.030 2 117 16 16 LEU HG H 1.654 0.030 1 118 16 16 LEU HD1 H 0.176 0.030 1 119 16 16 LEU HD2 H 0.667 0.030 1 120 16 16 LEU C C 175.013 0.300 1 121 16 16 LEU CA C 54.044 0.300 1 122 16 16 LEU CB C 44.387 0.300 1 123 16 16 LEU CG C 27.887 0.300 1 124 16 16 LEU CD1 C 26.295 0.300 2 125 16 16 LEU CD2 C 22.793 0.300 2 126 16 16 LEU N N 129.615 0.300 1 127 17 17 VAL H H 9.052 0.030 1 128 17 17 VAL HA H 4.176 0.030 1 129 17 17 VAL HB H 2.316 0.030 1 130 17 17 VAL HG1 H 1.082 0.030 1 131 17 17 VAL HG2 H 1.048 0.030 1 132 17 17 VAL C C 176.480 0.300 1 133 17 17 VAL CA C 66.669 0.300 1 134 17 17 VAL CB C 32.587 0.300 1 135 17 17 VAL CG1 C 20.818 0.300 2 136 17 17 VAL CG2 C 20.647 0.300 2 137 17 17 VAL N N 129.428 0.300 1 138 18 18 SER H H 8.026 0.030 1 139 18 18 SER HA H 5.398 0.030 1 140 18 18 SER HB2 H 4.213 0.030 2 141 18 18 SER HB3 H 3.941 0.030 2 142 18 18 SER C C 171.887 0.300 1 143 18 18 SER CA C 58.115 0.300 1 144 18 18 SER CB C 65.383 0.300 1 145 18 18 SER N N 110.207 0.300 1 146 19 19 ALA H H 8.419 0.030 1 147 19 19 ALA HA H 5.629 0.030 1 148 19 19 ALA HB H 1.614 0.030 1 149 19 19 ALA C C 174.872 0.300 1 150 19 19 ALA CA C 51.547 0.300 1 151 19 19 ALA CB C 22.732 0.300 1 152 19 19 ALA N N 118.972 0.300 1 153 20 20 LYS H H 9.022 0.030 1 154 20 20 LYS HA H 5.087 0.030 1 155 20 20 LYS HB2 H 2.064 0.030 2 156 20 20 LYS HB3 H 1.934 0.030 2 157 20 20 LYS HG2 H 1.595 0.030 2 158 20 20 LYS HG3 H 1.483 0.030 2 159 20 20 LYS HD2 H 1.746 0.030 1 160 20 20 LYS HD3 H 1.746 0.030 1 161 20 20 LYS HE2 H 2.900 0.030 1 162 20 20 LYS HE3 H 2.900 0.030 1 163 20 20 LYS C C 175.904 0.300 1 164 20 20 LYS CA C 55.963 0.300 1 165 20 20 LYS CB C 36.379 0.300 1 166 20 20 LYS CG C 24.578 0.300 1 167 20 20 LYS CD C 29.452 0.300 1 168 20 20 LYS CE C 42.198 0.300 1 169 20 20 LYS N N 116.968 0.300 1 170 21 21 GLY H H 9.112 0.030 1 171 21 21 GLY HA2 H 4.630 0.030 2 172 21 21 GLY HA3 H 4.081 0.030 2 173 21 21 GLY C C 173.441 0.300 1 174 21 21 GLY CA C 45.049 0.300 1 175 21 21 GLY N N 111.926 0.300 1 176 22 22 LEU H H 8.118 0.030 1 177 22 22 LEU HA H 4.462 0.030 1 178 22 22 LEU HB2 H 1.591 0.030 1 179 22 22 LEU HB3 H 1.591 0.030 1 180 22 22 LEU HG H 1.556 0.030 1 181 22 22 LEU HD1 H 0.878 0.030 1 182 22 22 LEU HD2 H 0.888 0.030 1 183 22 22 LEU C C 177.744 0.300 1 184 22 22 LEU CA C 55.069 0.300 1 185 22 22 LEU CB C 42.453 0.300 1 186 22 22 LEU CG C 27.091 0.300 1 187 22 22 LEU CD1 C 25.214 0.300 2 188 22 22 LEU CD2 C 23.391 0.300 2 189 22 22 LEU N N 121.237 0.300 1 190 23 23 GLU H H 8.736 0.030 1 191 23 23 GLU HA H 4.110 0.030 1 192 23 23 GLU HB2 H 2.034 0.030 1 193 23 23 GLU HB3 H 2.034 0.030 1 194 23 23 GLU HG2 H 2.326 0.030 1 195 23 23 GLU HG3 H 2.326 0.030 1 196 23 23 GLU C C 177.138 0.300 1 197 23 23 GLU CA C 58.424 0.300 1 198 23 23 GLU CB C 29.710 0.300 1 199 23 23 GLU CG C 36.253 0.300 1 200 23 23 GLU N N 122.320 0.300 1 201 24 24 ASP H H 8.435 0.030 1 202 24 24 ASP HA H 4.538 0.030 1 203 24 24 ASP HB2 H 2.769 0.030 2 204 24 24 ASP HB3 H 2.728 0.030 2 205 24 24 ASP C C 175.864 0.300 1 206 24 24 ASP CA C 54.867 0.300 1 207 24 24 ASP CB C 40.526 0.300 1 208 24 24 ASP N N 118.135 0.300 1 209 25 25 ALA H H 7.859 0.030 1 210 25 25 ALA HA H 4.378 0.030 1 211 25 25 ALA HB H 1.434 0.030 1 212 25 25 ALA C C 177.133 0.300 1 213 25 25 ALA CA C 52.500 0.300 1 214 25 25 ALA CB C 19.597 0.300 1 215 25 25 ALA N N 122.665 0.300 1 216 26 26 ASP H H 8.326 0.030 1 217 26 26 ASP HA H 4.607 0.030 1 218 26 26 ASP HB2 H 2.802 0.030 2 219 26 26 ASP HB3 H 2.636 0.030 2 220 26 26 ASP C C 176.918 0.300 1 221 26 26 ASP CA C 54.819 0.300 1 222 26 26 ASP CB C 41.050 0.300 1 223 26 26 ASP N N 119.787 0.300 1 224 27 27 PHE H H 8.176 0.030 1 225 27 27 PHE HA H 4.548 0.030 1 226 27 27 PHE HB2 H 3.208 0.030 2 227 27 27 PHE HB3 H 3.095 0.030 2 228 27 27 PHE HD1 H 7.248 0.030 1 229 27 27 PHE HD2 H 7.248 0.030 1 230 27 27 PHE HE1 H 7.015 0.030 1 231 27 27 PHE HE2 H 7.015 0.030 1 232 27 27 PHE HZ H 6.803 0.030 1 233 27 27 PHE C C 175.053 0.300 1 234 27 27 PHE CA C 58.715 0.300 1 235 27 27 PHE CB C 39.267 0.300 1 236 27 27 PHE CD1 C 132.369 0.300 1 237 27 27 PHE CD2 C 132.369 0.300 1 238 27 27 PHE CE1 C 130.521 0.300 1 239 27 27 PHE CE2 C 130.521 0.300 1 240 27 27 PHE CZ C 128.531 0.300 1 241 27 27 PHE N N 122.145 0.300 1 242 28 28 LEU H H 8.076 0.030 1 243 28 28 LEU HA H 3.894 0.030 1 244 28 28 LEU HB2 H 1.701 0.030 2 245 28 28 LEU HB3 H 1.382 0.030 2 246 28 28 LEU HG H 0.582 0.030 1 247 28 28 LEU HD1 H 0.576 0.030 1 248 28 28 LEU HD2 H 0.392 0.030 1 249 28 28 LEU C C 176.404 0.300 1 250 28 28 LEU CA C 56.043 0.300 1 251 28 28 LEU CB C 40.558 0.300 1 252 28 28 LEU CG C 25.913 0.300 1 253 28 28 LEU CD1 C 25.982 0.300 2 254 28 28 LEU CD2 C 23.529 0.300 2 255 28 28 LEU N N 119.457 0.300 1 256 29 29 ASN H H 7.851 0.030 1 257 29 29 ASN HA H 4.336 0.030 1 258 29 29 ASN HB2 H 2.707 0.030 2 259 29 29 ASN HB3 H 2.644 0.030 2 260 29 29 ASN HD21 H 7.736 0.030 2 261 29 29 ASN HD22 H 6.865 0.030 2 262 29 29 ASN C C 175.578 0.300 1 263 29 29 ASN CA C 54.409 0.300 1 264 29 29 ASN CB C 38.851 0.300 1 265 29 29 ASN N N 116.658 0.300 1 266 29 29 ASN ND2 N 112.939 0.300 1 267 30 30 ASN H H 8.459 0.030 1 268 30 30 ASN HA H 4.580 0.030 1 269 30 30 ASN HB2 H 2.954 0.030 2 270 30 30 ASN HB3 H 2.757 0.030 2 271 30 30 ASN HD21 H 7.599 0.030 2 272 30 30 ASN HD22 H 6.837 0.030 2 273 30 30 ASN C C 173.818 0.300 1 274 30 30 ASN CA C 53.812 0.300 1 275 30 30 ASN CB C 38.200 0.300 1 276 30 30 ASN N N 117.490 0.300 1 277 30 30 ASN ND2 N 113.372 0.300 1 278 31 31 MET H H 7.740 0.030 1 279 31 31 MET HA H 4.609 0.030 1 280 31 31 MET HB2 H 1.893 0.030 1 281 31 31 MET HB3 H 1.893 0.030 1 282 31 31 MET HG2 H 2.321 0.030 2 283 31 31 MET HG3 H 2.298 0.030 2 284 31 31 MET HE H 1.945 0.030 1 285 31 31 MET C C 173.717 0.300 1 286 31 31 MET CA C 55.227 0.300 1 287 31 31 MET CB C 35.603 0.300 1 288 31 31 MET CG C 31.557 0.300 1 289 31 31 MET CE C 17.416 0.300 1 290 31 31 MET N N 116.951 0.300 1 291 32 32 ASP H H 8.693 0.030 1 292 32 32 ASP HA H 5.548 0.030 1 293 32 32 ASP HB2 H 2.705 0.030 2 294 32 32 ASP HB3 H 2.569 0.030 2 295 32 32 ASP C C 173.120 0.300 1 296 32 32 ASP CA C 51.501 0.300 1 297 32 32 ASP CB C 42.525 0.300 1 298 32 32 ASP N N 122.296 0.300 1 299 33 33 PRO HA H 5.737 0.030 1 300 33 33 PRO HB2 H 1.907 0.030 1 301 33 33 PRO HB3 H 1.907 0.030 1 302 33 33 PRO HG2 H 2.265 0.030 2 303 33 33 PRO HG3 H 1.909 0.030 2 304 33 33 PRO HD2 H 4.283 0.030 2 305 33 33 PRO HD3 H 3.754 0.030 2 306 33 33 PRO C C 177.182 0.300 1 307 33 33 PRO CA C 62.497 0.300 1 308 33 33 PRO CB C 33.869 0.300 1 309 33 33 PRO CG C 26.651 0.300 1 310 33 33 PRO CD C 50.384 0.300 1 311 34 34 TYR H H 9.185 0.030 1 312 34 34 TYR HA H 5.019 0.030 1 313 34 34 TYR HB2 H 3.021 0.030 2 314 34 34 TYR HB3 H 2.720 0.030 2 315 34 34 TYR HD1 H 6.859 0.030 1 316 34 34 TYR HD2 H 6.859 0.030 1 317 34 34 TYR HE1 H 6.638 0.030 1 318 34 34 TYR HE2 H 6.638 0.030 1 319 34 34 TYR C C 171.387 0.300 1 320 34 34 TYR CA C 55.990 0.300 1 321 34 34 TYR CB C 41.561 0.300 1 322 34 34 TYR CD1 C 133.021 0.300 1 323 34 34 TYR CD2 C 133.021 0.300 1 324 34 34 TYR CE1 C 118.646 0.300 1 325 34 34 TYR CE2 C 118.646 0.300 1 326 34 34 TYR N N 116.902 0.300 1 327 35 35 VAL H H 8.600 0.030 1 328 35 35 VAL HA H 4.845 0.030 1 329 35 35 VAL HB H 1.099 0.030 1 330 35 35 VAL HG1 H -0.086 0.030 1 331 35 35 VAL HG2 H 0.396 0.030 1 332 35 35 VAL C C 174.928 0.300 1 333 35 35 VAL CA C 59.614 0.300 1 334 35 35 VAL CB C 34.772 0.300 1 335 35 35 VAL CG1 C 22.192 0.300 2 336 35 35 VAL CG2 C 21.302 0.300 2 337 35 35 VAL N N 119.655 0.300 1 338 36 36 GLN H H 9.482 0.030 1 339 36 36 GLN HA H 5.120 0.030 1 340 36 36 GLN HB2 H 2.451 0.030 2 341 36 36 GLN HB3 H 1.895 0.030 2 342 36 36 GLN HG2 H 2.285 0.030 2 343 36 36 GLN HG3 H 2.116 0.030 2 344 36 36 GLN HE21 H 7.777 0.030 2 345 36 36 GLN HE22 H 6.768 0.030 2 346 36 36 GLN C C 174.862 0.300 1 347 36 36 GLN CA C 54.176 0.300 1 348 36 36 GLN CB C 32.671 0.300 1 349 36 36 GLN CG C 34.007 0.300 1 350 36 36 GLN N N 126.750 0.300 1 351 36 36 GLN NE2 N 111.067 0.300 1 352 37 37 LEU H H 9.402 0.030 1 353 37 37 LEU HA H 5.298 0.030 1 354 37 37 LEU HB2 H 1.488 0.030 2 355 37 37 LEU HB3 H 1.111 0.030 2 356 37 37 LEU HG H 1.132 0.030 1 357 37 37 LEU HD1 H 0.082 0.030 1 358 37 37 LEU HD2 H 0.515 0.030 1 359 37 37 LEU C C 175.142 0.300 1 360 37 37 LEU CA C 53.517 0.300 1 361 37 37 LEU CB C 45.166 0.300 1 362 37 37 LEU CG C 27.133 0.300 1 363 37 37 LEU CD1 C 26.409 0.300 2 364 37 37 LEU CD2 C 24.525 0.300 2 365 37 37 LEU N N 131.375 0.300 1 366 38 38 THR H H 9.016 0.030 1 367 38 38 THR HA H 5.358 0.030 1 368 38 38 THR HB H 3.762 0.030 1 369 38 38 THR HG2 H 1.116 0.030 1 370 38 38 THR C C 173.308 0.300 1 371 38 38 THR CA C 60.848 0.300 1 372 38 38 THR CB C 72.041 0.300 1 373 38 38 THR CG2 C 21.860 0.300 1 374 38 38 THR N N 116.813 0.300 1 375 39 39 CYS H H 8.680 0.030 1 376 39 39 CYS HA H 4.453 0.030 1 377 39 39 CYS HB2 H 2.459 0.030 2 378 39 39 CYS HB3 H 1.580 0.030 2 379 39 39 CYS C C 174.224 0.300 1 380 39 39 CYS CA C 58.210 0.300 1 381 39 39 CYS CB C 28.134 0.300 1 382 39 39 CYS N N 126.613 0.300 1 383 40 40 ARG H H 9.768 0.030 1 384 40 40 ARG HA H 3.868 0.030 1 385 40 40 ARG HB2 H 2.441 0.030 2 386 40 40 ARG HB3 H 2.150 0.030 2 387 40 40 ARG HG2 H 1.837 0.030 1 388 40 40 ARG HG3 H 1.837 0.030 1 389 40 40 ARG HD2 H 3.293 0.030 2 390 40 40 ARG HD3 H 3.267 0.030 2 391 40 40 ARG HE H 7.219 0.030 1 392 40 40 ARG C C 175.312 0.300 1 393 40 40 ARG CA C 59.299 0.300 1 394 40 40 ARG CB C 28.725 0.300 1 395 40 40 ARG CG C 28.029 0.300 1 396 40 40 ARG CD C 43.211 0.300 1 397 40 40 ARG N N 128.937 0.300 1 398 40 40 ARG NE N 84.718 0.300 1 399 41 41 THR H H 8.052 0.030 1 400 41 41 THR HA H 4.459 0.030 1 401 41 41 THR HB H 4.666 0.030 1 402 41 41 THR HG2 H 1.258 0.030 1 403 41 41 THR C C 174.155 0.300 1 404 41 41 THR CA C 62.346 0.300 1 405 41 41 THR CB C 69.107 0.300 1 406 41 41 THR CG2 C 22.108 0.300 1 407 41 41 THR N N 112.872 0.300 1 408 42 42 GLN H H 8.222 0.030 1 409 42 42 GLN HA H 4.674 0.030 1 410 42 42 GLN HB2 H 2.507 0.030 1 411 42 42 GLN HB3 H 2.507 0.030 1 412 42 42 GLN HG2 H 2.659 0.030 2 413 42 42 GLN HG3 H 2.463 0.030 2 414 42 42 GLN HE21 H 7.719 0.030 2 415 42 42 GLN HE22 H 7.483 0.030 2 416 42 42 GLN C C 174.250 0.300 1 417 42 42 GLN CA C 55.829 0.300 1 418 42 42 GLN CB C 32.144 0.300 1 419 42 42 GLN CG C 34.742 0.300 1 420 42 42 GLN N N 122.622 0.300 1 421 42 42 GLN NE2 N 111.874 0.300 1 422 43 43 ASP H H 8.586 0.030 1 423 43 43 ASP HA H 5.795 0.030 1 424 43 43 ASP HB2 H 2.553 0.030 2 425 43 43 ASP HB3 H 2.494 0.030 2 426 43 43 ASP C C 175.702 0.300 1 427 43 43 ASP CA C 53.279 0.300 1 428 43 43 ASP CB C 44.683 0.300 1 429 43 43 ASP N N 123.290 0.300 1 430 44 44 GLN H H 9.280 0.030 1 431 44 44 GLN HA H 4.775 0.030 1 432 44 44 GLN HB2 H 2.351 0.030 2 433 44 44 GLN HB3 H 1.479 0.030 2 434 44 44 GLN HG2 H 2.409 0.030 2 435 44 44 GLN HG3 H 2.022 0.030 2 436 44 44 GLN HE21 H 6.414 0.030 2 437 44 44 GLN HE22 H 5.683 0.030 2 438 44 44 GLN C C 173.651 0.300 1 439 44 44 GLN CA C 55.403 0.300 1 440 44 44 GLN CB C 34.695 0.300 1 441 44 44 GLN CG C 35.359 0.300 1 442 44 44 GLN N N 120.804 0.300 1 443 44 44 GLN NE2 N 110.995 0.300 1 444 45 45 LYS H H 8.802 0.030 1 445 45 45 LYS HA H 5.468 0.030 1 446 45 45 LYS HB2 H 1.870 0.030 2 447 45 45 LYS HB3 H 1.778 0.030 2 448 45 45 LYS HG2 H 1.464 0.030 1 449 45 45 LYS HG3 H 1.464 0.030 1 450 45 45 LYS HD2 H 1.567 0.030 2 451 45 45 LYS HD3 H 1.489 0.030 2 452 45 45 LYS HE2 H 2.801 0.030 1 453 45 45 LYS HE3 H 2.801 0.030 1 454 45 45 LYS C C 175.956 0.300 1 455 45 45 LYS CA C 54.839 0.300 1 456 45 45 LYS CB C 35.851 0.300 1 457 45 45 LYS CG C 24.936 0.300 1 458 45 45 LYS CD C 29.763 0.300 1 459 45 45 LYS CE C 41.800 0.300 1 460 45 45 LYS N N 120.048 0.300 1 461 46 46 SER H H 9.307 0.030 1 462 46 46 SER HA H 4.982 0.030 1 463 46 46 SER HB2 H 4.525 0.030 2 464 46 46 SER HB3 H 3.340 0.030 2 465 46 46 SER C C 173.567 0.300 1 466 46 46 SER CA C 57.968 0.300 1 467 46 46 SER CB C 66.913 0.300 1 468 46 46 SER N N 119.484 0.300 1 469 47 47 ASN H H 10.143 0.030 1 470 47 47 ASN HA H 4.886 0.030 1 471 47 47 ASN HB2 H 3.281 0.030 2 472 47 47 ASN HB3 H 2.972 0.030 2 473 47 47 ASN HD21 H 7.874 0.030 2 474 47 47 ASN HD22 H 7.075 0.030 2 475 47 47 ASN C C 176.990 0.300 1 476 47 47 ASN CA C 53.589 0.300 1 477 47 47 ASN CB C 39.552 0.300 1 478 47 47 ASN N N 117.663 0.300 1 479 47 47 ASN ND2 N 114.515 0.300 1 480 48 48 VAL H H 8.699 0.030 1 481 48 48 VAL HA H 4.419 0.030 1 482 48 48 VAL HB H 2.037 0.030 1 483 48 48 VAL HG1 H 1.061 0.030 1 484 48 48 VAL HG2 H 0.895 0.030 1 485 48 48 VAL C C 176.522 0.300 1 486 48 48 VAL CA C 62.623 0.300 1 487 48 48 VAL CB C 32.954 0.300 1 488 48 48 VAL CG1 C 22.787 0.300 2 489 48 48 VAL CG2 C 22.550 0.300 2 490 48 48 VAL N N 121.773 0.300 1 491 49 49 ALA H H 8.768 0.030 1 492 49 49 ALA HA H 4.505 0.030 1 493 49 49 ALA HB H 0.760 0.030 1 494 49 49 ALA C C 175.947 0.300 1 495 49 49 ALA CA C 51.139 0.300 1 496 49 49 ALA CB C 18.434 0.300 1 497 49 49 ALA N N 132.325 0.300 1 498 50 50 GLU H H 8.350 0.030 1 499 50 50 GLU HA H 4.541 0.030 1 500 50 50 GLU HB2 H 1.957 0.030 2 501 50 50 GLU HB3 H 1.868 0.030 2 502 50 50 GLU HG2 H 2.224 0.030 2 503 50 50 GLU HG3 H 2.077 0.030 2 504 50 50 GLU C C 177.251 0.300 1 505 50 50 GLU CA C 55.736 0.300 1 506 50 50 GLU CB C 31.402 0.300 1 507 50 50 GLU CG C 36.605 0.300 1 508 50 50 GLU N N 123.573 0.300 1 509 51 51 GLY H H 8.940 0.030 1 510 51 51 GLY HA2 H 3.998 0.030 2 511 51 51 GLY HA3 H 3.915 0.030 2 512 51 51 GLY C C 175.746 0.300 1 513 51 51 GLY CA C 46.912 0.300 1 514 51 51 GLY N N 112.575 0.300 1 515 52 52 MET H H 9.023 0.030 1 516 52 52 MET HA H 4.384 0.030 1 517 52 52 MET HB2 H 2.152 0.030 2 518 52 52 MET HB3 H 1.662 0.030 2 519 52 52 MET HG2 H 2.392 0.030 1 520 52 52 MET HG3 H 2.392 0.030 1 521 52 52 MET HE H 2.144 0.030 1 522 52 52 MET C C 176.368 0.300 1 523 52 52 MET CA C 55.966 0.300 1 524 52 52 MET CB C 32.812 0.300 1 525 52 52 MET CG C 33.399 0.300 1 526 52 52 MET CE C 18.160 0.300 1 527 52 52 MET N N 118.942 0.300 1 528 53 53 GLY H H 8.455 0.030 1 529 53 53 GLY HA2 H 3.975 0.030 2 530 53 53 GLY HA3 H 3.876 0.030 2 531 53 53 GLY C C 174.603 0.300 1 532 53 53 GLY CA C 46.470 0.300 1 533 53 53 GLY N N 109.984 0.300 1 534 54 54 THR H H 8.292 0.030 1 535 54 54 THR HA H 4.234 0.030 1 536 54 54 THR HB H 4.508 0.030 1 537 54 54 THR HG2 H 1.221 0.030 1 538 54 54 THR C C 174.395 0.300 1 539 54 54 THR CA C 62.273 0.300 1 540 54 54 THR CB C 69.437 0.300 1 541 54 54 THR CG2 C 22.090 0.300 1 542 54 54 THR N N 113.314 0.300 1 543 55 55 THR H H 7.673 0.030 1 544 55 55 THR HA H 5.202 0.030 1 545 55 55 THR HB H 4.356 0.030 1 546 55 55 THR HG2 H 1.168 0.030 1 547 55 55 THR C C 172.154 0.300 1 548 55 55 THR CA C 57.968 0.300 1 549 55 55 THR CB C 69.496 0.300 1 550 55 55 THR CG2 C 21.211 0.300 1 551 55 55 THR N N 110.809 0.300 1 552 56 56 PRO HA H 4.096 0.030 1 553 56 56 PRO HB2 H 1.625 0.030 2 554 56 56 PRO HB3 H 0.611 0.030 2 555 56 56 PRO HG2 H 1.818 0.030 2 556 56 56 PRO HG3 H 1.669 0.030 2 557 56 56 PRO HD2 H 3.700 0.030 2 558 56 56 PRO HD3 H 3.314 0.030 2 559 56 56 PRO C C 174.392 0.300 1 560 56 56 PRO CA C 62.872 0.300 1 561 56 56 PRO CB C 31.647 0.300 1 562 56 56 PRO CG C 28.379 0.300 1 563 56 56 PRO CD C 49.560 0.300 1 564 57 57 GLU H H 6.989 0.030 1 565 57 57 GLU HA H 4.476 0.030 1 566 57 57 GLU HB2 H 1.873 0.030 2 567 57 57 GLU HB3 H 1.756 0.030 2 568 57 57 GLU HG2 H 2.183 0.030 2 569 57 57 GLU HG3 H 2.051 0.030 2 570 57 57 GLU C C 174.035 0.300 1 571 57 57 GLU CA C 54.841 0.300 1 572 57 57 GLU CB C 33.487 0.300 1 573 57 57 GLU CG C 35.857 0.300 1 574 57 57 GLU N N 117.863 0.300 1 575 58 58 TRP H H 8.475 0.030 1 576 58 58 TRP HA H 4.708 0.030 1 577 58 58 TRP HB2 H 3.394 0.030 2 578 58 58 TRP HB3 H 2.978 0.030 2 579 58 58 TRP HD1 H 7.494 0.030 1 580 58 58 TRP HE1 H 9.517 0.030 1 581 58 58 TRP HE3 H 7.185 0.030 1 582 58 58 TRP HZ2 H 7.012 0.030 1 583 58 58 TRP HZ3 H 6.725 0.030 1 584 58 58 TRP HH2 H 6.520 0.030 1 585 58 58 TRP C C 175.300 0.300 1 586 58 58 TRP CA C 61.530 0.300 1 587 58 58 TRP CB C 31.197 0.300 1 588 58 58 TRP CD1 C 128.310 0.300 1 589 58 58 TRP CE3 C 119.278 0.300 1 590 58 58 TRP CZ2 C 113.753 0.300 1 591 58 58 TRP CZ3 C 120.429 0.300 1 592 58 58 TRP CH2 C 121.692 0.300 1 593 58 58 TRP N N 119.956 0.300 1 594 58 58 TRP NE1 N 129.630 0.300 1 595 59 59 ASN H H 8.584 0.030 1 596 59 59 ASN HA H 4.462 0.030 1 597 59 59 ASN HB2 H 2.968 0.030 2 598 59 59 ASN HB3 H 2.850 0.030 2 599 59 59 ASN HD21 H 7.691 0.030 2 600 59 59 ASN HD22 H 6.998 0.030 2 601 59 59 ASN C C 174.574 0.300 1 602 59 59 ASN CA C 55.130 0.300 1 603 59 59 ASN CB C 37.847 0.300 1 604 59 59 ASN N N 118.001 0.300 1 605 59 59 ASN ND2 N 114.614 0.300 1 606 60 60 GLU H H 8.110 0.030 1 607 60 60 GLU HA H 4.657 0.030 1 608 60 60 GLU HB2 H 1.882 0.030 2 609 60 60 GLU HB3 H 1.774 0.030 2 610 60 60 GLU HG2 H 2.390 0.030 2 611 60 60 GLU HG3 H 2.093 0.030 2 612 60 60 GLU C C 174.159 0.300 1 613 60 60 GLU CA C 55.521 0.300 1 614 60 60 GLU CB C 35.185 0.300 1 615 60 60 GLU CG C 37.252 0.300 1 616 60 60 GLU N N 118.885 0.300 1 617 61 61 THR H H 8.364 0.030 1 618 61 61 THR HA H 5.266 0.030 1 619 61 61 THR HB H 3.780 0.030 1 620 61 61 THR HG2 H 1.058 0.030 1 621 61 61 THR C C 173.464 0.300 1 622 61 61 THR CA C 62.273 0.300 1 623 61 61 THR CB C 70.185 0.300 1 624 61 61 THR CG2 C 21.659 0.300 1 625 61 61 THR N N 118.914 0.300 1 626 62 62 PHE H H 9.592 0.030 1 627 62 62 PHE HA H 4.607 0.030 1 628 62 62 PHE HB2 H 2.649 0.030 2 629 62 62 PHE HB3 H 2.615 0.030 2 630 62 62 PHE HD1 H 7.123 0.030 1 631 62 62 PHE HD2 H 7.123 0.030 1 632 62 62 PHE HE1 H 7.036 0.030 1 633 62 62 PHE HE2 H 7.036 0.030 1 634 62 62 PHE HZ H 6.790 0.030 1 635 62 62 PHE C C 173.753 0.300 1 636 62 62 PHE CA C 56.484 0.300 1 637 62 62 PHE CB C 43.344 0.300 1 638 62 62 PHE CD1 C 132.389 0.300 1 639 62 62 PHE CD2 C 132.389 0.300 1 640 62 62 PHE CE1 C 130.491 0.300 1 641 62 62 PHE CE2 C 130.491 0.300 1 642 62 62 PHE CZ C 128.539 0.300 1 643 62 62 PHE N N 125.911 0.300 1 644 63 63 ILE H H 8.903 0.030 1 645 63 63 ILE HA H 5.162 0.030 1 646 63 63 ILE HB H 1.738 0.030 1 647 63 63 ILE HG12 H 1.433 0.030 2 648 63 63 ILE HG13 H 1.191 0.030 2 649 63 63 ILE HG2 H 0.822 0.030 1 650 63 63 ILE HD1 H 0.795 0.030 1 651 63 63 ILE C C 176.044 0.300 1 652 63 63 ILE CA C 59.380 0.300 1 653 63 63 ILE CB C 39.148 0.300 1 654 63 63 ILE CG1 C 27.394 0.300 1 655 63 63 ILE CG2 C 17.848 0.300 1 656 63 63 ILE CD1 C 12.082 0.300 1 657 63 63 ILE N N 122.286 0.300 1 658 64 64 PHE H H 9.608 0.030 1 659 64 64 PHE HA H 4.934 0.030 1 660 64 64 PHE HB2 H 3.148 0.030 2 661 64 64 PHE HB3 H 2.735 0.030 2 662 64 64 PHE HD1 H 7.226 0.030 1 663 64 64 PHE HD2 H 7.226 0.030 1 664 64 64 PHE HE1 H 6.948 0.030 1 665 64 64 PHE HE2 H 6.948 0.030 1 666 64 64 PHE HZ H 6.951 0.030 1 667 64 64 PHE C C 175.479 0.300 1 668 64 64 PHE CA C 56.672 0.300 1 669 64 64 PHE CB C 43.639 0.300 1 670 64 64 PHE CD1 C 132.404 0.300 1 671 64 64 PHE CD2 C 132.404 0.300 1 672 64 64 PHE CE1 C 130.318 0.300 1 673 64 64 PHE CE2 C 130.318 0.300 1 674 64 64 PHE CZ C 129.168 0.300 1 675 64 64 PHE N N 125.004 0.300 1 676 65 65 THR H H 9.402 0.030 1 677 65 65 THR HA H 4.705 0.030 1 678 65 65 THR HB H 4.161 0.030 1 679 65 65 THR HG2 H 1.250 0.030 1 680 65 65 THR C C 174.279 0.300 1 681 65 65 THR CA C 63.014 0.300 1 682 65 65 THR CB C 69.548 0.300 1 683 65 65 THR CG2 C 21.956 0.300 1 684 65 65 THR N N 118.641 0.300 1 685 66 66 VAL H H 9.023 0.030 1 686 66 66 VAL HA H 4.343 0.030 1 687 66 66 VAL HB H 2.028 0.030 1 688 66 66 VAL HG1 H 1.029 0.030 1 689 66 66 VAL HG2 H 0.897 0.030 1 690 66 66 VAL C C 174.945 0.300 1 691 66 66 VAL CA C 61.847 0.300 1 692 66 66 VAL CB C 33.745 0.300 1 693 66 66 VAL CG1 C 22.858 0.300 2 694 66 66 VAL CG2 C 21.949 0.300 2 695 66 66 VAL N N 125.901 0.300 1 696 67 67 SER H H 8.379 0.030 1 697 67 67 SER HA H 4.712 0.030 1 698 67 67 SER HB2 H 3.913 0.030 1 699 67 67 SER HB3 H 3.913 0.030 1 700 67 67 SER C C 173.924 0.300 1 701 67 67 SER CA C 56.993 0.300 1 702 67 67 SER CB C 64.837 0.300 1 703 67 67 SER N N 122.337 0.300 1 704 68 68 GLU H H 9.012 0.030 1 705 68 68 GLU HA H 3.921 0.030 1 706 68 68 GLU HB2 H 1.918 0.030 1 707 68 68 GLU HB3 H 1.918 0.030 1 708 68 68 GLU HG2 H 2.261 0.030 2 709 68 68 GLU HG3 H 2.228 0.030 2 710 68 68 GLU C C 177.243 0.300 1 711 68 68 GLU CA C 58.611 0.300 1 712 68 68 GLU CB C 29.333 0.300 1 713 68 68 GLU CG C 36.169 0.300 1 714 68 68 GLU N N 122.144 0.300 1 715 69 69 GLY H H 8.714 0.030 1 716 69 69 GLY HA2 H 4.267 0.030 2 717 69 69 GLY HA3 H 3.722 0.030 2 718 69 69 GLY C C 174.700 0.300 1 719 69 69 GLY CA C 45.133 0.300 1 720 69 69 GLY N N 112.529 0.300 1 721 70 70 THR H H 7.988 0.030 1 722 70 70 THR HA H 4.373 0.030 1 723 70 70 THR HB H 4.288 0.030 1 724 70 70 THR HG2 H 1.290 0.030 1 725 70 70 THR C C 174.851 0.300 1 726 70 70 THR CA C 63.504 0.300 1 727 70 70 THR CB C 68.894 0.300 1 728 70 70 THR CG2 C 22.456 0.300 1 729 70 70 THR N N 119.093 0.300 1 730 71 71 THR H H 8.757 0.030 1 731 71 71 THR HA H 4.554 0.030 1 732 71 71 THR HB H 4.430 0.030 1 733 71 71 THR HG2 H 1.135 0.030 1 734 71 71 THR C C 174.535 0.300 1 735 71 71 THR CA C 61.992 0.300 1 736 71 71 THR CB C 70.699 0.300 1 737 71 71 THR CG2 C 21.891 0.300 1 738 71 71 THR N N 114.578 0.300 1 739 72 72 GLU H H 7.815 0.030 1 740 72 72 GLU HA H 4.966 0.030 1 741 72 72 GLU HB2 H 1.918 0.030 2 742 72 72 GLU HB3 H 1.641 0.030 2 743 72 72 GLU HG2 H 2.051 0.030 2 744 72 72 GLU HG3 H 1.917 0.030 2 745 72 72 GLU C C 172.939 0.300 1 746 72 72 GLU CA C 55.495 0.300 1 747 72 72 GLU CB C 33.248 0.300 1 748 72 72 GLU CG C 34.923 0.300 1 749 72 72 GLU N N 120.305 0.300 1 750 73 73 LEU H H 8.583 0.030 1 751 73 73 LEU HA H 4.724 0.030 1 752 73 73 LEU HB2 H 1.446 0.030 2 753 73 73 LEU HB3 H 1.054 0.030 2 754 73 73 LEU HG H 1.196 0.030 1 755 73 73 LEU HD1 H 0.468 0.030 1 756 73 73 LEU HD2 H 0.337 0.030 1 757 73 73 LEU C C 174.416 0.300 1 758 73 73 LEU CA C 52.878 0.300 1 759 73 73 LEU CB C 46.022 0.300 1 760 73 73 LEU CG C 26.781 0.300 1 761 73 73 LEU CD1 C 26.693 0.300 2 762 73 73 LEU CD2 C 24.794 0.300 2 763 73 73 LEU N N 123.791 0.300 1 764 74 74 LYS H H 8.595 0.030 1 765 74 74 LYS HA H 5.067 0.030 1 766 74 74 LYS HB2 H 1.698 0.030 1 767 74 74 LYS HB3 H 1.698 0.030 1 768 74 74 LYS HG2 H 1.333 0.030 1 769 74 74 LYS HG3 H 1.333 0.030 1 770 74 74 LYS HD2 H 1.635 0.030 2 771 74 74 LYS HD3 H 1.543 0.030 2 772 74 74 LYS HE2 H 2.849 0.030 2 773 74 74 LYS HE3 H 2.825 0.030 2 774 74 74 LYS C C 174.719 0.300 1 775 74 74 LYS CA C 54.110 0.300 1 776 74 74 LYS CB C 34.738 0.300 1 777 74 74 LYS CG C 24.815 0.300 1 778 74 74 LYS CD C 28.507 0.300 1 779 74 74 LYS CE C 41.911 0.300 1 780 74 74 LYS N N 123.800 0.300 1 781 75 75 ALA H H 8.857 0.030 1 782 75 75 ALA HA H 5.360 0.030 1 783 75 75 ALA HB H 0.893 0.030 1 784 75 75 ALA C C 175.470 0.300 1 785 75 75 ALA CA C 49.583 0.300 1 786 75 75 ALA CB C 21.271 0.300 1 787 75 75 ALA N N 124.875 0.300 1 788 76 76 LYS H H 8.986 0.030 1 789 76 76 LYS HA H 4.819 0.030 1 790 76 76 LYS HB2 H 1.673 0.030 2 791 76 76 LYS HB3 H 1.297 0.030 2 792 76 76 LYS HG2 H 1.401 0.030 2 793 76 76 LYS HG3 H 1.164 0.030 2 794 76 76 LYS HD2 H 1.722 0.030 2 795 76 76 LYS HD3 H 1.670 0.030 2 796 76 76 LYS HE2 H 2.895 0.030 1 797 76 76 LYS HE3 H 2.895 0.030 1 798 76 76 LYS C C 173.906 0.300 1 799 76 76 LYS CA C 55.321 0.300 1 800 76 76 LYS CB C 37.270 0.300 1 801 76 76 LYS CG C 25.930 0.300 1 802 76 76 LYS CD C 29.990 0.300 1 803 76 76 LYS CE C 42.089 0.300 1 804 76 76 LYS N N 122.302 0.300 1 805 77 77 ILE H H 7.926 0.030 1 806 77 77 ILE HA H 4.452 0.030 1 807 77 77 ILE HB H 1.285 0.030 1 808 77 77 ILE HG12 H 1.327 0.030 2 809 77 77 ILE HG13 H 0.759 0.030 2 810 77 77 ILE HG2 H 0.701 0.030 1 811 77 77 ILE HD1 H 0.713 0.030 1 812 77 77 ILE C C 172.900 0.300 1 813 77 77 ILE CA C 60.564 0.300 1 814 77 77 ILE CB C 39.417 0.300 1 815 77 77 ILE CG1 C 28.192 0.300 1 816 77 77 ILE CG2 C 18.097 0.300 1 817 77 77 ILE CD1 C 14.775 0.300 1 818 77 77 ILE N N 121.469 0.300 1 819 78 78 PHE H H 8.614 0.030 1 820 78 78 PHE HA H 4.813 0.030 1 821 78 78 PHE HB2 H 2.837 0.030 2 822 78 78 PHE HB3 H 1.227 0.030 2 823 78 78 PHE HD1 H 6.729 0.030 1 824 78 78 PHE HD2 H 6.729 0.030 1 825 78 78 PHE HE1 H 7.147 0.030 1 826 78 78 PHE HE2 H 7.147 0.030 1 827 78 78 PHE HZ H 7.153 0.030 1 828 78 78 PHE C C 174.492 0.300 1 829 78 78 PHE CA C 56.419 0.300 1 830 78 78 PHE CB C 43.871 0.300 1 831 78 78 PHE CD1 C 131.529 0.300 1 832 78 78 PHE CD2 C 131.529 0.300 1 833 78 78 PHE CE1 C 131.386 0.300 1 834 78 78 PHE CE2 C 131.386 0.300 1 835 78 78 PHE CZ C 128.578 0.300 1 836 78 78 PHE N N 125.484 0.300 1 837 79 79 ASP H H 8.322 0.030 1 838 79 79 ASP HA H 4.640 0.030 1 839 79 79 ASP HB2 H 2.705 0.030 1 840 79 79 ASP HB3 H 2.705 0.030 1 841 79 79 ASP C C 176.779 0.300 1 842 79 79 ASP CA C 54.036 0.300 1 843 79 79 ASP CB C 43.085 0.300 1 844 79 79 ASP N N 118.364 0.300 1 845 80 80 LYS H H 8.317 0.030 1 846 80 80 LYS HA H 4.302 0.030 1 847 80 80 LYS HB2 H 2.214 0.030 2 848 80 80 LYS HB3 H 2.109 0.030 2 849 80 80 LYS HG2 H 1.662 0.030 2 850 80 80 LYS HG3 H 1.450 0.030 2 851 80 80 LYS HD2 H 1.760 0.030 1 852 80 80 LYS HD3 H 1.760 0.030 1 853 80 80 LYS HE2 H 3.073 0.030 1 854 80 80 LYS HE3 H 3.073 0.030 1 855 80 80 LYS C C 176.466 0.300 1 856 80 80 LYS CA C 59.242 0.300 1 857 80 80 LYS CB C 33.253 0.300 1 858 80 80 LYS CG C 23.893 0.300 1 859 80 80 LYS CD C 29.875 0.300 1 860 80 80 LYS CE C 42.363 0.300 1 861 80 80 LYS N N 122.031 0.300 1 862 81 81 ASP H H 8.506 0.030 1 863 81 81 ASP HA H 4.749 0.030 1 864 81 81 ASP HB2 H 2.902 0.030 2 865 81 81 ASP HB3 H 2.720 0.030 2 866 81 81 ASP C C 175.888 0.300 1 867 81 81 ASP CA C 55.148 0.300 1 868 81 81 ASP CB C 40.898 0.300 1 869 81 81 ASP N N 118.922 0.300 1 870 82 82 VAL H H 8.187 0.030 1 871 82 82 VAL HA H 4.305 0.030 1 872 82 82 VAL HB H 2.462 0.030 1 873 82 82 VAL HG1 H 1.194 0.030 1 874 82 82 VAL HG2 H 1.125 0.030 1 875 82 82 VAL C C 176.367 0.300 1 876 82 82 VAL CA C 62.349 0.300 1 877 82 82 VAL CB C 33.039 0.300 1 878 82 82 VAL CG1 C 21.983 0.300 2 879 82 82 VAL CG2 C 21.248 0.300 2 880 82 82 VAL N N 120.428 0.300 1 881 83 83 GLY H H 8.749 0.030 1 882 83 83 GLY HA2 H 4.055 0.030 2 883 83 83 GLY HA3 H 3.870 0.030 2 884 83 83 GLY C C 174.085 0.300 1 885 83 83 GLY CA C 44.977 0.300 1 886 83 83 GLY N N 113.006 0.300 1 887 84 84 THR H H 7.704 0.030 1 888 84 84 THR HA H 3.804 0.030 1 889 84 84 THR HB H 4.262 0.030 1 890 84 84 THR HG2 H 1.078 0.030 1 891 84 84 THR C C 175.584 0.300 1 892 84 84 THR CA C 62.122 0.300 1 893 84 84 THR CB C 69.028 0.300 1 894 84 84 THR CG2 C 22.077 0.300 1 895 84 84 THR N N 108.901 0.300 1 896 85 85 GLU H H 8.617 0.030 1 897 85 85 GLU HA H 4.312 0.030 1 898 85 85 GLU HB2 H 2.077 0.030 2 899 85 85 GLU HB3 H 1.909 0.030 2 900 85 85 GLU HG2 H 2.208 0.030 2 901 85 85 GLU HG3 H 2.118 0.030 2 902 85 85 GLU C C 176.522 0.300 1 903 85 85 GLU CA C 57.063 0.300 1 904 85 85 GLU CB C 29.101 0.300 1 905 85 85 GLU CG C 36.145 0.300 1 906 85 85 GLU N N 121.115 0.300 1 907 86 86 ASP H H 7.886 0.030 1 908 86 86 ASP HA H 4.751 0.030 1 909 86 86 ASP HB2 H 2.891 0.030 2 910 86 86 ASP HB3 H 2.680 0.030 2 911 86 86 ASP C C 175.130 0.300 1 912 86 86 ASP CA C 54.290 0.300 1 913 86 86 ASP CB C 41.813 0.300 1 914 86 86 ASP N N 121.064 0.300 1 915 87 87 ASP H H 8.261 0.030 1 916 87 87 ASP HA H 4.728 0.030 1 917 87 87 ASP HB2 H 2.694 0.030 2 918 87 87 ASP HB3 H 2.610 0.030 2 919 87 87 ASP C C 175.302 0.300 1 920 87 87 ASP CA C 54.599 0.300 1 921 87 87 ASP CB C 41.869 0.300 1 922 87 87 ASP N N 118.698 0.300 1 923 88 88 ALA H H 8.093 0.030 1 924 88 88 ALA HA H 3.827 0.030 1 925 88 88 ALA HB H 0.800 0.030 1 926 88 88 ALA C C 178.076 0.300 1 927 88 88 ALA CA C 51.882 0.300 1 928 88 88 ALA CB C 18.704 0.300 1 929 88 88 ALA N N 125.408 0.300 1 930 89 89 VAL H H 8.521 0.030 1 931 89 89 VAL HA H 4.003 0.030 1 932 89 89 VAL HB H 2.001 0.030 1 933 89 89 VAL HG1 H 0.904 0.030 1 934 89 89 VAL HG2 H 0.760 0.030 1 935 89 89 VAL C C 175.767 0.300 1 936 89 89 VAL CA C 63.207 0.300 1 937 89 89 VAL CB C 31.993 0.300 1 938 89 89 VAL CG1 C 21.579 0.300 2 939 89 89 VAL CG2 C 20.782 0.300 2 940 89 89 VAL N N 117.831 0.300 1 941 90 90 GLY H H 6.863 0.030 1 942 90 90 GLY HA2 H 3.898 0.030 2 943 90 90 GLY HA3 H 3.399 0.030 2 944 90 90 GLY C C 170.182 0.300 1 945 90 90 GLY CA C 45.041 0.300 1 946 90 90 GLY N N 100.854 0.300 1 947 91 91 GLU H H 8.996 0.030 1 948 91 91 GLU HA H 5.437 0.030 1 949 91 91 GLU HB2 H 1.963 0.030 2 950 91 91 GLU HB3 H 1.864 0.030 2 951 91 91 GLU HG2 H 2.074 0.030 2 952 91 91 GLU HG3 H 1.973 0.030 2 953 91 91 GLU C C 173.922 0.300 1 954 91 91 GLU CA C 54.398 0.300 1 955 91 91 GLU CB C 34.658 0.300 1 956 91 91 GLU CG C 36.145 0.300 1 957 91 91 GLU N N 119.542 0.300 1 958 92 92 ALA H H 9.439 0.030 1 959 92 92 ALA HA H 5.172 0.030 1 960 92 92 ALA HB H 1.122 0.030 1 961 92 92 ALA C C 176.089 0.300 1 962 92 92 ALA CA C 50.508 0.300 1 963 92 92 ALA CB C 23.826 0.300 1 964 92 92 ALA N N 126.070 0.300 1 965 93 93 THR H H 8.866 0.030 1 966 93 93 THR HA H 4.480 0.030 1 967 93 93 THR HB H 3.911 0.030 1 968 93 93 THR HG2 H 0.981 0.030 1 969 93 93 THR C C 172.673 0.300 1 970 93 93 THR CA C 62.641 0.300 1 971 93 93 THR CB C 69.884 0.300 1 972 93 93 THR CG2 C 21.638 0.300 1 973 93 93 THR N N 118.731 0.300 1 974 94 94 ILE H H 8.982 0.030 1 975 94 94 ILE HA H 4.120 0.030 1 976 94 94 ILE HB H 1.485 0.030 1 977 94 94 ILE HG12 H 0.707 0.030 2 978 94 94 ILE HG13 H -0.098 0.030 2 979 94 94 ILE HG2 H 0.096 0.030 1 980 94 94 ILE HD1 H 0.176 0.030 1 981 94 94 ILE C C 172.927 0.300 1 982 94 94 ILE CA C 58.003 0.300 1 983 94 94 ILE CB C 39.339 0.300 1 984 94 94 ILE CG1 C 26.657 0.300 1 985 94 94 ILE CG2 C 16.962 0.300 1 986 94 94 ILE CD1 C 13.898 0.300 1 987 94 94 ILE N N 129.204 0.300 1 988 95 95 PRO HA H 4.453 0.030 1 989 95 95 PRO HB2 H 2.527 0.030 2 990 95 95 PRO HB3 H 1.840 0.030 2 991 95 95 PRO HG2 H 2.182 0.030 2 992 95 95 PRO HG3 H 2.019 0.030 2 993 95 95 PRO HD2 H 3.953 0.030 2 994 95 95 PRO HD3 H 3.809 0.030 2 995 95 95 PRO C C 177.168 0.300 1 996 95 95 PRO CA C 62.866 0.300 1 997 95 95 PRO CB C 32.737 0.300 1 998 95 95 PRO CG C 27.395 0.300 1 999 95 95 PRO CD C 51.394 0.300 1 1000 96 96 LEU H H 7.921 0.030 1 1001 96 96 LEU HA H 4.049 0.030 1 1002 96 96 LEU HB2 H 0.756 0.030 2 1003 96 96 LEU HB3 H 0.340 0.030 2 1004 96 96 LEU HG H 1.212 0.030 1 1005 96 96 LEU HD1 H 0.432 0.030 1 1006 96 96 LEU HD2 H 0.419 0.030 1 1007 96 96 LEU C C 175.787 0.300 1 1008 96 96 LEU CA C 53.769 0.300 1 1009 96 96 LEU CB C 43.305 0.300 1 1010 96 96 LEU CG C 26.759 0.300 1 1011 96 96 LEU CD1 C 26.139 0.300 2 1012 96 96 LEU CD2 C 23.063 0.300 2 1013 96 96 LEU N N 118.417 0.300 1 1014 97 97 GLU H H 8.321 0.030 1 1015 97 97 GLU HA H 3.986 0.030 1 1016 97 97 GLU HB2 H 2.129 0.030 2 1017 97 97 GLU HB3 H 2.020 0.030 2 1018 97 97 GLU HG2 H 2.363 0.030 1 1019 97 97 GLU HG3 H 2.363 0.030 1 1020 97 97 GLU C C 174.857 0.300 1 1021 97 97 GLU CA C 61.762 0.300 1 1022 97 97 GLU CB C 26.603 0.300 1 1023 97 97 GLU CG C 36.422 0.300 1 1024 97 97 GLU N N 119.236 0.300 1 1025 98 98 PRO HA H 4.326 0.030 1 1026 98 98 PRO HB2 H 2.335 0.030 2 1027 98 98 PRO HB3 H 1.667 0.030 2 1028 98 98 PRO HG2 H 2.023 0.030 2 1029 98 98 PRO HG3 H 1.860 0.030 2 1030 98 98 PRO HD2 H 3.617 0.030 2 1031 98 98 PRO HD3 H 3.213 0.030 2 1032 98 98 PRO C C 179.020 0.300 1 1033 98 98 PRO CA C 66.349 0.300 1 1034 98 98 PRO CB C 31.031 0.300 1 1035 98 98 PRO CG C 28.508 0.300 1 1036 98 98 PRO CD C 49.879 0.300 1 1037 99 99 VAL H H 7.522 0.030 1 1038 99 99 VAL HA H 3.712 0.030 1 1039 99 99 VAL HB H 1.801 0.030 1 1040 99 99 VAL HG1 H 0.832 0.030 1 1041 99 99 VAL HG2 H 0.677 0.030 1 1042 99 99 VAL C C 177.144 0.300 1 1043 99 99 VAL CA C 64.213 0.300 1 1044 99 99 VAL CB C 31.250 0.300 1 1045 99 99 VAL CG1 C 24.298 0.300 2 1046 99 99 VAL CG2 C 20.599 0.300 2 1047 99 99 VAL N N 117.121 0.300 1 1048 100 100 PHE H H 7.611 0.030 1 1049 100 100 PHE HA H 4.319 0.030 1 1050 100 100 PHE HB2 H 3.172 0.030 2 1051 100 100 PHE HB3 H 2.937 0.030 2 1052 100 100 PHE HD1 H 6.240 0.030 1 1053 100 100 PHE HD2 H 6.240 0.030 1 1054 100 100 PHE HE1 H 6.675 0.030 1 1055 100 100 PHE HE2 H 6.675 0.030 1 1056 100 100 PHE HZ H 6.790 0.030 1 1057 100 100 PHE C C 178.659 0.300 1 1058 100 100 PHE CA C 57.220 0.300 1 1059 100 100 PHE CB C 36.442 0.300 1 1060 100 100 PHE CD1 C 129.955 0.300 1 1061 100 100 PHE CD2 C 129.955 0.300 1 1062 100 100 PHE CE1 C 130.284 0.300 1 1063 100 100 PHE CE2 C 130.284 0.300 1 1064 100 100 PHE CZ C 129.382 0.300 1 1065 100 100 PHE N N 121.736 0.300 1 1066 101 101 VAL H H 7.635 0.030 1 1067 101 101 VAL HA H 3.997 0.030 1 1068 101 101 VAL HB H 2.154 0.030 1 1069 101 101 VAL HG1 H 1.088 0.030 1 1070 101 101 VAL HG2 H 0.982 0.030 1 1071 101 101 VAL C C 178.142 0.300 1 1072 101 101 VAL CA C 65.068 0.300 1 1073 101 101 VAL CB C 32.960 0.300 1 1074 101 101 VAL CG1 C 22.125 0.300 2 1075 101 101 VAL CG2 C 21.329 0.300 2 1076 101 101 VAL N N 116.636 0.300 1 1077 102 102 GLU H H 8.559 0.030 1 1078 102 102 GLU HA H 4.447 0.030 1 1079 102 102 GLU HB2 H 2.351 0.030 2 1080 102 102 GLU HB3 H 1.850 0.030 2 1081 102 102 GLU HG2 H 2.473 0.030 2 1082 102 102 GLU HG3 H 2.436 0.030 2 1083 102 102 GLU C C 178.751 0.300 1 1084 102 102 GLU CA C 57.340 0.300 1 1085 102 102 GLU CB C 31.391 0.300 1 1086 102 102 GLU CG C 36.064 0.300 1 1087 102 102 GLU N N 117.004 0.300 1 1088 103 103 GLY H H 8.720 0.030 1 1089 103 103 GLY HA2 H 4.695 0.030 2 1090 103 103 GLY HA3 H 3.981 0.030 2 1091 103 103 GLY C C 174.044 0.300 1 1092 103 103 GLY CA C 47.436 0.300 1 1093 103 103 GLY N N 112.285 0.300 1 1094 104 104 SER H H 7.302 0.030 1 1095 104 104 SER HA H 5.106 0.030 1 1096 104 104 SER HB2 H 3.897 0.030 1 1097 104 104 SER HB3 H 3.897 0.030 1 1098 104 104 SER C C 172.462 0.300 1 1099 104 104 SER CA C 57.731 0.300 1 1100 104 104 SER CB C 65.059 0.300 1 1101 104 104 SER N N 112.766 0.300 1 1102 105 105 ILE H H 9.248 0.030 1 1103 105 105 ILE HA H 4.836 0.030 1 1104 105 105 ILE HB H 1.961 0.030 1 1105 105 105 ILE HG12 H 1.397 0.030 2 1106 105 105 ILE HG13 H 1.202 0.030 2 1107 105 105 ILE HG2 H 1.173 0.030 1 1108 105 105 ILE HD1 H 0.733 0.030 1 1109 105 105 ILE C C 174.397 0.300 1 1110 105 105 ILE CA C 57.135 0.300 1 1111 105 105 ILE CB C 40.314 0.300 1 1112 105 105 ILE CG1 C 26.481 0.300 1 1113 105 105 ILE CG2 C 16.775 0.300 1 1114 105 105 ILE CD1 C 11.640 0.300 1 1115 105 105 ILE N N 124.346 0.300 1 1116 106 106 PRO HA H 4.876 0.030 1 1117 106 106 PRO HB2 H 2.488 0.030 2 1118 106 106 PRO HB3 H 2.084 0.030 2 1119 106 106 PRO HG2 H 2.065 0.030 2 1120 106 106 PRO HG3 H 1.898 0.030 2 1121 106 106 PRO HD2 H 3.843 0.030 2 1122 106 106 PRO HD3 H 3.760 0.030 2 1123 106 106 PRO CA C 62.051 0.300 1 1124 106 106 PRO CB C 30.623 0.300 1 1125 106 106 PRO CG C 26.716 0.300 1 1126 106 106 PRO CD C 51.571 0.300 1 1127 107 107 PRO HA H 4.277 0.030 1 1128 107 107 PRO HB2 H 2.297 0.030 2 1129 107 107 PRO HB3 H 2.263 0.030 2 1130 107 107 PRO HG2 H 2.395 0.030 2 1131 107 107 PRO HG3 H 2.042 0.030 2 1132 107 107 PRO HD2 H 3.916 0.030 2 1133 107 107 PRO HD3 H 3.730 0.030 2 1134 107 107 PRO C C 175.573 0.300 1 1135 107 107 PRO CA C 64.939 0.300 1 1136 107 107 PRO CB C 31.314 0.300 1 1137 107 107 PRO CG C 28.285 0.300 1 1138 107 107 PRO CD C 50.213 0.300 1 1139 108 108 THR H H 8.281 0.030 1 1140 108 108 THR HA H 4.078 0.030 1 1141 108 108 THR HB H 3.837 0.030 1 1142 108 108 THR HG2 H 0.633 0.030 1 1143 108 108 THR C C 169.614 0.300 1 1144 108 108 THR CA C 62.207 0.300 1 1145 108 108 THR CB C 73.645 0.300 1 1146 108 108 THR CG2 C 19.561 0.300 1 1147 108 108 THR N N 124.910 0.300 1 1148 109 109 ALA H H 7.163 0.030 1 1149 109 109 ALA HA H 3.323 0.030 1 1150 109 109 ALA HB H 0.240 0.030 1 1151 109 109 ALA C C 176.587 0.300 1 1152 109 109 ALA CA C 50.776 0.300 1 1153 109 109 ALA CB C 18.472 0.300 1 1154 109 109 ALA N N 126.046 0.300 1 1155 110 110 TYR H H 8.973 0.030 1 1156 110 110 TYR HA H 4.517 0.030 1 1157 110 110 TYR HB2 H 2.858 0.030 2 1158 110 110 TYR HB3 H 2.430 0.030 2 1159 110 110 TYR HD1 H 7.121 0.030 1 1160 110 110 TYR HD2 H 7.121 0.030 1 1161 110 110 TYR HE1 H 6.733 0.030 1 1162 110 110 TYR HE2 H 6.733 0.030 1 1163 110 110 TYR C C 175.514 0.300 1 1164 110 110 TYR CA C 57.053 0.300 1 1165 110 110 TYR CB C 39.978 0.300 1 1166 110 110 TYR CD1 C 133.921 0.300 1 1167 110 110 TYR CD2 C 133.921 0.300 1 1168 110 110 TYR CE1 C 117.749 0.300 1 1169 110 110 TYR CE2 C 117.749 0.300 1 1170 110 110 TYR N N 122.064 0.300 1 1171 111 111 ASN H H 9.016 0.030 1 1172 111 111 ASN HA H 4.731 0.030 1 1173 111 111 ASN HB2 H 2.833 0.030 2 1174 111 111 ASN HB3 H 2.519 0.030 2 1175 111 111 ASN HD21 H 7.640 0.030 2 1176 111 111 ASN HD22 H 6.912 0.030 2 1177 111 111 ASN C C 174.413 0.300 1 1178 111 111 ASN CA C 54.451 0.300 1 1179 111 111 ASN CB C 38.671 0.300 1 1180 111 111 ASN N N 120.759 0.300 1 1181 111 111 ASN ND2 N 112.304 0.300 1 1182 112 112 VAL H H 8.744 0.030 1 1183 112 112 VAL HA H 4.072 0.030 1 1184 112 112 VAL HB H 1.345 0.030 1 1185 112 112 VAL HG1 H 0.733 0.030 1 1186 112 112 VAL HG2 H 0.513 0.030 1 1187 112 112 VAL C C 174.596 0.300 1 1188 112 112 VAL CA C 61.458 0.300 1 1189 112 112 VAL CB C 31.779 0.300 1 1190 112 112 VAL CG1 C 21.904 0.300 2 1191 112 112 VAL CG2 C 21.788 0.300 2 1192 112 112 VAL N N 122.659 0.300 1 1193 113 113 VAL H H 8.884 0.030 1 1194 113 113 VAL HA H 5.057 0.030 1 1195 113 113 VAL HB H 1.815 0.030 1 1196 113 113 VAL HG1 H 0.754 0.030 1 1197 113 113 VAL HG2 H 0.830 0.030 1 1198 113 113 VAL C C 175.508 0.300 1 1199 113 113 VAL CA C 59.226 0.300 1 1200 113 113 VAL CB C 36.001 0.300 1 1201 113 113 VAL CG1 C 21.308 0.300 2 1202 113 113 VAL CG2 C 19.789 0.300 2 1203 113 113 VAL N N 123.661 0.300 1 1204 114 114 LYS H H 8.661 0.030 1 1205 114 114 LYS HA H 4.529 0.030 1 1206 114 114 LYS HB2 H 1.815 0.030 2 1207 114 114 LYS HB3 H 1.711 0.030 2 1208 114 114 LYS HG2 H 1.375 0.030 2 1209 114 114 LYS HG3 H 1.196 0.030 2 1210 114 114 LYS HD2 H 1.663 0.030 2 1211 114 114 LYS HD3 H 1.414 0.030 2 1212 114 114 LYS HE2 H 2.981 0.030 1 1213 114 114 LYS HE3 H 2.981 0.030 1 1214 114 114 LYS C C 176.029 0.300 1 1215 114 114 LYS CA C 55.536 0.300 1 1216 114 114 LYS CB C 34.890 0.300 1 1217 114 114 LYS CG C 25.077 0.300 1 1218 114 114 LYS CD C 28.619 0.300 1 1219 114 114 LYS CE C 42.695 0.300 1 1220 114 114 LYS N N 124.130 0.300 1 1221 115 115 ASP H H 9.586 0.030 1 1222 115 115 ASP HA H 4.223 0.030 1 1223 115 115 ASP HB2 H 2.856 0.030 2 1224 115 115 ASP HB3 H 2.785 0.030 2 1225 115 115 ASP C C 175.012 0.300 1 1226 115 115 ASP CA C 56.485 0.300 1 1227 115 115 ASP CB C 39.233 0.300 1 1228 115 115 ASP N N 130.560 0.300 1 1229 116 116 GLU H H 8.424 0.030 1 1230 116 116 GLU HA H 3.798 0.030 1 1231 116 116 GLU HB2 H 2.253 0.030 1 1232 116 116 GLU HB3 H 2.253 0.030 1 1233 116 116 GLU HG2 H 2.245 0.030 2 1234 116 116 GLU HG3 H 2.149 0.030 2 1235 116 116 GLU C C 175.237 0.300 1 1236 116 116 GLU CA C 57.943 0.300 1 1237 116 116 GLU CB C 28.325 0.300 1 1238 116 116 GLU CG C 36.746 0.300 1 1239 116 116 GLU N N 110.900 0.300 1 1240 117 117 GLU H H 8.013 0.030 1 1241 117 117 GLU HA H 4.531 0.030 1 1242 117 117 GLU HB2 H 2.076 0.030 2 1243 117 117 GLU HB3 H 1.999 0.030 2 1244 117 117 GLU HG2 H 2.367 0.030 2 1245 117 117 GLU HG3 H 2.169 0.030 2 1246 117 117 GLU C C 175.353 0.300 1 1247 117 117 GLU CA C 55.224 0.300 1 1248 117 117 GLU CB C 31.771 0.300 1 1249 117 117 GLU CG C 36.084 0.300 1 1250 117 117 GLU N N 121.175 0.300 1 1251 118 118 TYR H H 8.747 0.030 1 1252 118 118 TYR HA H 4.450 0.030 1 1253 118 118 TYR HB2 H 3.092 0.030 2 1254 118 118 TYR HB3 H 2.954 0.030 2 1255 118 118 TYR HD1 H 7.027 0.030 1 1256 118 118 TYR HD2 H 7.027 0.030 1 1257 118 118 TYR HE1 H 6.778 0.030 1 1258 118 118 TYR HE2 H 6.778 0.030 1 1259 118 118 TYR C C 175.744 0.300 1 1260 118 118 TYR CA C 58.933 0.300 1 1261 118 118 TYR CB C 38.169 0.300 1 1262 118 118 TYR CD1 C 132.411 0.300 1 1263 118 118 TYR CD2 C 132.411 0.300 1 1264 118 118 TYR CE1 C 118.641 0.300 1 1265 118 118 TYR CE2 C 118.641 0.300 1 1266 118 118 TYR N N 125.834 0.300 1 1267 119 119 LYS H H 8.732 0.030 1 1268 119 119 LYS HA H 4.326 0.030 1 1269 119 119 LYS HB2 H 0.883 0.030 2 1270 119 119 LYS HB3 H 0.744 0.030 2 1271 119 119 LYS HG2 H 1.315 0.030 2 1272 119 119 LYS HG3 H 1.160 0.030 2 1273 119 119 LYS HD2 H 1.533 0.030 2 1274 119 119 LYS HD3 H 1.402 0.030 2 1275 119 119 LYS HE2 H 2.873 0.030 2 1276 119 119 LYS HE3 H 2.741 0.030 2 1277 119 119 LYS C C 174.936 0.300 1 1278 119 119 LYS CA C 54.145 0.300 1 1279 119 119 LYS CB C 33.469 0.300 1 1280 119 119 LYS CG C 23.468 0.300 1 1281 119 119 LYS CD C 27.867 0.300 1 1282 119 119 LYS CE C 42.197 0.300 1 1283 119 119 LYS N N 123.832 0.300 1 1284 120 120 GLY H H 6.601 0.030 1 1285 120 120 GLY HA2 H 4.343 0.030 2 1286 120 120 GLY HA3 H 3.719 0.030 2 1287 120 120 GLY C C 170.615 0.300 1 1288 120 120 GLY CA C 45.282 0.300 1 1289 120 120 GLY N N 103.349 0.300 1 1290 121 121 GLU H H 8.950 0.030 1 1291 121 121 GLU HA H 5.357 0.030 1 1292 121 121 GLU HB2 H 1.826 0.030 1 1293 121 121 GLU HB3 H 1.826 0.030 1 1294 121 121 GLU HG2 H 2.306 0.030 2 1295 121 121 GLU HG3 H 2.196 0.030 2 1296 121 121 GLU C C 174.594 0.300 1 1297 121 121 GLU CA C 54.332 0.300 1 1298 121 121 GLU CB C 34.222 0.300 1 1299 121 121 GLU CG C 35.628 0.300 1 1300 121 121 GLU N N 117.733 0.300 1 1301 122 122 ILE H H 9.157 0.030 1 1302 122 122 ILE HA H 5.243 0.030 1 1303 122 122 ILE HB H 1.435 0.030 1 1304 122 122 ILE HG12 H 1.848 0.030 2 1305 122 122 ILE HG13 H 0.960 0.030 2 1306 122 122 ILE HG2 H 0.805 0.030 1 1307 122 122 ILE HD1 H 0.543 0.030 1 1308 122 122 ILE C C 172.556 0.300 1 1309 122 122 ILE CA C 59.346 0.300 1 1310 122 122 ILE CB C 42.753 0.300 1 1311 122 122 ILE CG1 C 28.452 0.300 1 1312 122 122 ILE CG2 C 16.290 0.300 1 1313 122 122 ILE CD1 C 14.555 0.300 1 1314 122 122 ILE N N 119.637 0.300 1 1315 123 123 TRP H H 9.576 0.030 1 1316 123 123 TRP HA H 5.347 0.030 1 1317 123 123 TRP HB2 H 3.413 0.030 2 1318 123 123 TRP HB3 H 2.791 0.030 2 1319 123 123 TRP HD1 H 6.791 0.030 1 1320 123 123 TRP HE1 H 10.722 0.030 1 1321 123 123 TRP HE3 H 7.106 0.030 1 1322 123 123 TRP HZ2 H 7.471 0.030 1 1323 123 123 TRP HZ3 H 7.013 0.030 1 1324 123 123 TRP HH2 H 7.180 0.030 1 1325 123 123 TRP C C 176.324 0.300 1 1326 123 123 TRP CA C 57.115 0.300 1 1327 123 123 TRP CB C 29.812 0.300 1 1328 123 123 TRP CD1 C 124.505 0.300 1 1329 123 123 TRP CE3 C 119.452 0.300 1 1330 123 123 TRP CZ2 C 115.247 0.300 1 1331 123 123 TRP CZ3 C 121.792 0.300 1 1332 123 123 TRP CH2 C 124.664 0.300 1 1333 123 123 TRP N N 128.407 0.300 1 1334 123 123 TRP NE1 N 130.810 0.300 1 1335 124 124 VAL H H 8.525 0.030 1 1336 124 124 VAL HA H 5.615 0.030 1 1337 124 124 VAL HB H 2.084 0.030 1 1338 124 124 VAL HG1 H 0.840 0.030 1 1339 124 124 VAL HG2 H 0.856 0.030 1 1340 124 124 VAL C C 175.613 0.300 1 1341 124 124 VAL CA C 59.520 0.300 1 1342 124 124 VAL CB C 37.486 0.300 1 1343 124 124 VAL CG1 C 22.287 0.300 2 1344 124 124 VAL CG2 C 21.698 0.300 2 1345 124 124 VAL N N 120.316 0.300 1 1346 125 125 ALA H H 9.715 0.030 1 1347 125 125 ALA HA H 4.860 0.030 1 1348 125 125 ALA HB H 1.522 0.030 1 1349 125 125 ALA C C 175.379 0.300 1 1350 125 125 ALA CA C 50.919 0.300 1 1351 125 125 ALA CB C 22.136 0.300 1 1352 125 125 ALA N N 132.068 0.300 1 1353 126 126 LEU H H 8.034 0.030 1 1354 126 126 LEU HA H 5.582 0.030 1 1355 126 126 LEU HB2 H 1.538 0.030 2 1356 126 126 LEU HB3 H 1.275 0.030 2 1357 126 126 LEU HG H 1.597 0.030 1 1358 126 126 LEU HD1 H 0.679 0.030 1 1359 126 126 LEU HD2 H 0.795 0.030 1 1360 126 126 LEU C C 176.171 0.300 1 1361 126 126 LEU CA C 53.893 0.300 1 1362 126 126 LEU CB C 49.196 0.300 1 1363 126 126 LEU CG C 26.545 0.300 1 1364 126 126 LEU CD1 C 26.302 0.300 2 1365 126 126 LEU CD2 C 25.637 0.300 2 1366 126 126 LEU N N 118.655 0.300 1 1367 127 127 SER H H 8.965 0.030 1 1368 127 127 SER HA H 5.088 0.030 1 1369 127 127 SER HB2 H 3.911 0.030 1 1370 127 127 SER HB3 H 3.911 0.030 1 1371 127 127 SER C C 172.208 0.300 1 1372 127 127 SER CA C 58.103 0.300 1 1373 127 127 SER CB C 65.363 0.300 1 1374 127 127 SER N N 115.445 0.300 1 1375 128 128 PHE H H 9.332 0.030 1 1376 128 128 PHE HA H 5.664 0.030 1 1377 128 128 PHE HB2 H 2.959 0.030 1 1378 128 128 PHE HB3 H 2.959 0.030 1 1379 128 128 PHE HD1 H 7.251 0.030 1 1380 128 128 PHE HD2 H 7.251 0.030 1 1381 128 128 PHE HE1 H 7.021 0.030 1 1382 128 128 PHE HE2 H 7.021 0.030 1 1383 128 128 PHE HZ H 6.726 0.030 1 1384 128 128 PHE C C 173.155 0.300 1 1385 128 128 PHE CA C 56.177 0.300 1 1386 128 128 PHE CB C 44.161 0.300 1 1387 128 128 PHE CD1 C 131.956 0.300 1 1388 128 128 PHE CD2 C 131.956 0.300 1 1389 128 128 PHE CE1 C 130.786 0.300 1 1390 128 128 PHE CE2 C 130.786 0.300 1 1391 128 128 PHE CZ C 129.655 0.300 1 1392 128 128 PHE N N 126.139 0.300 1 1393 129 129 LYS H H 8.257 0.030 1 1394 129 129 LYS HA H 4.715 0.030 1 1395 129 129 LYS HB2 H 1.638 0.030 2 1396 129 129 LYS HB3 H 1.592 0.030 2 1397 129 129 LYS HG2 H 1.328 0.030 2 1398 129 129 LYS HG3 H 1.277 0.030 2 1399 129 129 LYS HD2 H 1.616 0.030 2 1400 129 129 LYS HD3 H 1.564 0.030 2 1401 129 129 LYS HE2 H 2.898 0.030 1 1402 129 129 LYS HE3 H 2.898 0.030 1 1403 129 129 LYS C C 173.120 0.300 1 1404 129 129 LYS CA C 51.864 0.300 1 1405 129 129 LYS CB C 33.993 0.300 1 1406 129 129 LYS CG C 24.399 0.300 1 1407 129 129 LYS CD C 29.196 0.300 1 1408 129 129 LYS CE C 42.281 0.300 1 1409 129 129 LYS N N 128.655 0.300 1 1410 130 130 PRO HA H 4.364 0.030 1 1411 130 130 PRO HB2 H 2.354 0.030 2 1412 130 130 PRO HB3 H 1.983 0.030 2 1413 130 130 PRO HG2 H 2.063 0.030 2 1414 130 130 PRO HG3 H 2.025 0.030 2 1415 130 130 PRO HD2 H 3.705 0.030 2 1416 130 130 PRO HD3 H 3.529 0.030 2 1417 130 130 PRO C C 176.848 0.300 1 1418 130 130 PRO CA C 62.423 0.300 1 1419 130 130 PRO CB C 32.425 0.300 1 1420 130 130 PRO CG C 26.902 0.300 1 1421 130 130 PRO CD C 51.299 0.300 1 1422 131 131 SER H H 8.508 0.030 1 1423 131 131 SER HA H 4.457 0.030 1 1424 131 131 SER HB2 H 3.794 0.030 2 1425 131 131 SER HB3 H 3.726 0.030 2 1426 131 131 SER C C 174.585 0.300 1 1427 131 131 SER CA C 58.425 0.300 1 1428 131 131 SER CB C 64.209 0.300 1 1429 131 131 SER N N 117.336 0.300 1 1430 132 132 GLY H H 8.323 0.030 1 1431 132 132 GLY HA2 H 4.208 0.030 2 1432 132 132 GLY HA3 H 4.072 0.030 2 1433 132 132 GLY C C 171.738 0.300 1 1434 132 132 GLY CA C 44.682 0.300 1 1435 132 132 GLY N N 110.503 0.300 1 1436 133 133 PRO HA H 4.474 0.030 1 1437 133 133 PRO HB2 H 2.297 0.030 2 1438 133 133 PRO HB3 H 1.981 0.030 2 1439 133 133 PRO HG2 H 2.021 0.030 1 1440 133 133 PRO HG3 H 2.021 0.030 1 1441 133 133 PRO HD2 H 3.627 0.030 1 1442 133 133 PRO HD3 H 3.627 0.030 1 1443 133 133 PRO C C 177.389 0.300 1 1444 133 133 PRO CA C 63.281 0.300 1 1445 133 133 PRO CB C 32.258 0.300 1 1446 133 133 PRO CG C 27.158 0.300 1 1447 133 133 PRO CD C 49.831 0.300 1 1448 134 134 SER H H 8.537 0.030 1 1449 134 134 SER HA H 4.510 0.030 1 1450 134 134 SER HB2 H 3.905 0.030 1 1451 134 134 SER HB3 H 3.905 0.030 1 1452 134 134 SER C C 174.625 0.300 1 1453 134 134 SER CA C 58.425 0.300 1 1454 134 134 SER CB C 63.867 0.300 1 1455 134 134 SER N N 116.385 0.300 1 1456 135 135 SER H H 8.314 0.030 1 1457 135 135 SER HA H 4.495 0.030 1 1458 135 135 SER HB2 H 3.870 0.030 1 1459 135 135 SER HB3 H 3.870 0.030 1 1460 135 135 SER C C 173.903 0.300 1 1461 135 135 SER CA C 58.384 0.300 1 1462 135 135 SER CB C 64.144 0.300 1 1463 135 135 SER N N 117.734 0.300 1 1464 136 136 GLY H H 8.048 0.030 1 1465 136 136 GLY HA2 H 3.779 0.030 1 1466 136 136 GLY HA3 H 3.779 0.030 1 1467 136 136 GLY C C 179.016 0.300 1 1468 136 136 GLY CA C 46.232 0.300 1 1469 136 136 GLY N N 116.875 0.300 1 stop_ save_