data_10106 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g08430 from Arabidopsis thaliana ; _BMRB_accession_number 10106 _BMRB_flat_file_name bmr10106.str _Entry_type original _Submission_date 2007-02-13 _Accession_date 2007-02-13 _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 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 599 "13C chemical shifts" 446 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-15 original author . stop_ _Original_release_date 2008-08-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g08430 from Arabidopsis thaliana ; _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 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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 'hypothetical protein RAFL09-47-K03' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hypothetical protein RAFL09-47-K03' $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 'SWIB/MDM2 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; GSSGSSGKRFEFVGWGSRQL IEFLHSLGKDTSEMISRYDV SDTIAKYISKEGLLDPSNKK KVVCDKRLVLLFGTRTIFRM KVYDLLEKHYKENQDSGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 ARG 10 PHE 11 GLU 12 PHE 13 VAL 14 GLY 15 TRP 16 GLY 17 SER 18 ARG 19 GLN 20 LEU 21 ILE 22 GLU 23 PHE 24 LEU 25 HIS 26 SER 27 LEU 28 GLY 29 LYS 30 ASP 31 THR 32 SER 33 GLU 34 MET 35 ILE 36 SER 37 ARG 38 TYR 39 ASP 40 VAL 41 SER 42 ASP 43 THR 44 ILE 45 ALA 46 LYS 47 TYR 48 ILE 49 SER 50 LYS 51 GLU 52 GLY 53 LEU 54 LEU 55 ASP 56 PRO 57 SER 58 ASN 59 LYS 60 LYS 61 LYS 62 VAL 63 VAL 64 CYS 65 ASP 66 LYS 67 ARG 68 LEU 69 VAL 70 LEU 71 LEU 72 PHE 73 GLY 74 THR 75 ARG 76 THR 77 ILE 78 PHE 79 ARG 80 MET 81 LYS 82 VAL 83 TYR 84 ASP 85 LEU 86 LEU 87 GLU 88 LYS 89 HIS 90 TYR 91 LYS 92 GLU 93 ASN 94 GLN 95 ASP 96 SER 97 GLY 98 PRO 99 SER 100 SER 101 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 1V32 "Solution Structure Of The SwibMDM2 DOMAIN OF THE Hypothetical Protein At5g08430 From Arabidopsis Thaliana" 100.00 101 100.00 100.00 1.39e-65 EMBL CAC08343 "putative protein [Arabidopsis thaliana]" 87.13 509 100.00 100.00 6.34e-53 GB ACF06124 "At5g08430 [Arabidopsis thaliana]" 87.13 553 100.00 100.00 1.30e-52 GB AED91300 "SWIB/MDM2 and Plus-3 and GYF domain-containing protein [Arabidopsis thaliana]" 87.13 553 100.00 100.00 1.30e-52 REF NP_196460 "SWIB/MDM2 and Plus-3 and GYF domain-containing protein [Arabidopsis thaliana]" 87.13 553 100.00 100.00 1.30e-52 SP Q9FT92 "RecName: Full=Uncharacterized protein At5g08430" 87.13 553 100.00 100.00 1.30e-52 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 P030128-16 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 0.4 mM '[U-13C; U-15N]' phosphate 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 xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . 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 'Jhonson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.815 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 Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 15N-separated NOESY' '3D 13C-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 'hypothetical protein RAFL09-47-K03' _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 3 3 SER HA H 4.531 0.030 1 2 3 3 SER HB2 H 3.908 0.030 1 3 3 3 SER HB3 H 3.908 0.030 1 4 3 3 SER C C 175.159 0.300 1 5 3 3 SER CA C 58.676 0.300 1 6 3 3 SER CB C 63.899 0.300 1 7 4 4 GLY H H 8.497 0.030 1 8 4 4 GLY HA2 H 4.043 0.030 1 9 4 4 GLY HA3 H 4.043 0.030 1 10 4 4 GLY C C 174.423 0.300 1 11 4 4 GLY CA C 45.491 0.300 1 12 4 4 GLY N N 110.991 0.300 1 13 5 5 SER H H 8.311 0.030 1 14 5 5 SER HA H 4.505 0.030 1 15 5 5 SER HB2 H 3.908 0.030 1 16 5 5 SER HB3 H 3.908 0.030 1 17 5 5 SER C C 174.970 0.300 1 18 5 5 SER CA C 58.411 0.300 1 19 5 5 SER CB C 64.097 0.300 1 20 5 5 SER N N 115.791 0.300 1 21 6 6 SER H H 8.448 0.030 1 22 6 6 SER HA H 4.490 0.030 1 23 6 6 SER HB2 H 3.920 0.030 1 24 6 6 SER HB3 H 3.920 0.030 1 25 6 6 SER C C 175.069 0.300 1 26 6 6 SER CA C 58.800 0.300 1 27 6 6 SER CB C 63.869 0.300 1 28 6 6 SER N N 117.891 0.300 1 29 7 7 GLY H H 8.394 0.030 1 30 7 7 GLY HA2 H 3.961 0.030 1 31 7 7 GLY HA3 H 3.961 0.030 1 32 7 7 GLY C C 173.915 0.300 1 33 7 7 GLY CA C 45.324 0.300 1 34 7 7 GLY N N 110.691 0.300 1 35 8 8 LYS H H 8.094 0.030 1 36 8 8 LYS HA H 4.285 0.030 1 37 8 8 LYS HB2 H 1.694 0.030 2 38 8 8 LYS HB3 H 1.761 0.030 2 39 8 8 LYS HG2 H 1.351 0.030 2 40 8 8 LYS HG3 H 1.392 0.030 2 41 8 8 LYS HD2 H 1.674 0.030 1 42 8 8 LYS HD3 H 1.674 0.030 1 43 8 8 LYS HE2 H 2.987 0.030 1 44 8 8 LYS HE3 H 2.987 0.030 1 45 8 8 LYS C C 176.335 0.300 1 46 8 8 LYS CA C 56.174 0.300 1 47 8 8 LYS CB C 33.115 0.300 1 48 8 8 LYS CG C 24.687 0.300 1 49 8 8 LYS CD C 29.053 0.300 1 50 8 8 LYS CE C 42.316 0.300 1 51 8 8 LYS N N 120.955 0.300 1 52 9 9 ARG H H 8.295 0.030 1 53 9 9 ARG HA H 4.271 0.030 1 54 9 9 ARG HB2 H 1.722 0.030 2 55 9 9 ARG HB3 H 1.806 0.030 2 56 9 9 ARG HG2 H 1.595 0.030 1 57 9 9 ARG HG3 H 1.595 0.030 1 58 9 9 ARG HD2 H 3.200 0.030 1 59 9 9 ARG HD3 H 3.200 0.030 1 60 9 9 ARG C C 176.136 0.300 1 61 9 9 ARG CA C 55.728 0.300 1 62 9 9 ARG CB C 31.214 0.300 1 63 9 9 ARG CG C 26.911 0.300 1 64 9 9 ARG CD C 43.538 0.300 1 65 9 9 ARG N N 122.654 0.300 1 66 10 10 PHE H H 8.254 0.030 1 67 10 10 PHE HA H 4.671 0.030 1 68 10 10 PHE HB2 H 2.736 0.030 2 69 10 10 PHE HB3 H 2.543 0.030 2 70 10 10 PHE HD1 H 7.065 0.030 1 71 10 10 PHE HD2 H 7.065 0.030 1 72 10 10 PHE HE1 H 6.820 0.030 1 73 10 10 PHE HE2 H 6.820 0.030 1 74 10 10 PHE HZ H 7.029 0.030 1 75 10 10 PHE C C 175.081 0.300 1 76 10 10 PHE CA C 56.139 0.300 1 77 10 10 PHE CB C 39.440 0.300 1 78 10 10 PHE CD1 C 130.758 0.300 1 79 10 10 PHE CD2 C 130.758 0.300 1 80 10 10 PHE CE1 C 130.913 0.300 1 81 10 10 PHE CE2 C 130.913 0.300 1 82 10 10 PHE CZ C 129.461 0.300 1 83 10 10 PHE N N 121.941 0.300 1 84 11 11 GLU H H 8.660 0.030 1 85 11 11 GLU HA H 4.358 0.030 1 86 11 11 GLU HB2 H 1.825 0.030 2 87 11 11 GLU HB3 H 1.937 0.030 2 88 11 11 GLU HG2 H 2.084 0.030 2 89 11 11 GLU HG3 H 2.293 0.030 2 90 11 11 GLU C C 175.453 0.300 1 91 11 11 GLU CA C 55.293 0.300 1 92 11 11 GLU CB C 31.101 0.300 1 93 11 11 GLU CG C 36.137 0.300 1 94 11 11 GLU N N 121.448 0.300 1 95 12 12 PHE H H 8.787 0.030 1 96 12 12 PHE HA H 4.580 0.030 1 97 12 12 PHE HB2 H 2.811 0.030 1 98 12 12 PHE HB3 H 2.811 0.030 1 99 12 12 PHE HD1 H 6.918 0.030 1 100 12 12 PHE HD2 H 6.918 0.030 1 101 12 12 PHE HE1 H 7.125 0.030 1 102 12 12 PHE HE2 H 7.125 0.030 1 103 12 12 PHE HZ H 7.329 0.030 1 104 12 12 PHE C C 175.578 0.300 1 105 12 12 PHE CA C 58.394 0.300 1 106 12 12 PHE CB C 41.095 0.300 1 107 12 12 PHE CD1 C 131.220 0.300 1 108 12 12 PHE CD2 C 131.220 0.300 1 109 12 12 PHE CE1 C 131.177 0.300 1 110 12 12 PHE CE2 C 131.177 0.300 1 111 12 12 PHE CZ C 129.913 0.300 1 112 12 12 PHE N N 122.447 0.300 1 113 13 13 VAL H H 8.787 0.030 1 114 13 13 VAL HA H 4.103 0.030 1 115 13 13 VAL HB H 1.812 0.030 1 116 13 13 VAL HG1 H 0.736 0.030 1 117 13 13 VAL HG2 H 0.824 0.030 1 118 13 13 VAL C C 175.629 0.300 1 119 13 13 VAL CA C 61.071 0.300 1 120 13 13 VAL CB C 31.583 0.300 1 121 13 13 VAL CG1 C 19.810 0.300 2 122 13 13 VAL CG2 C 20.755 0.300 2 123 13 13 VAL N N 124.791 0.300 1 124 14 14 GLY H H 8.426 0.030 1 125 14 14 GLY HA2 H 4.060 0.030 2 126 14 14 GLY HA3 H 3.671 0.030 2 127 14 14 GLY C C 174.001 0.300 1 128 14 14 GLY CA C 47.078 0.300 1 129 14 14 GLY N N 114.290 0.300 1 130 15 15 TRP H H 7.043 0.030 1 131 15 15 TRP HA H 4.539 0.030 1 132 15 15 TRP HB2 H 3.696 0.030 2 133 15 15 TRP HB3 H 3.300 0.030 2 134 15 15 TRP HD1 H 7.593 0.030 1 135 15 15 TRP HE1 H 10.115 0.030 1 136 15 15 TRP HE3 H 7.324 0.030 1 137 15 15 TRP HZ2 H 7.108 0.030 1 138 15 15 TRP HZ3 H 6.880 0.030 1 139 15 15 TRP HH2 H 6.900 0.030 1 140 15 15 TRP C C 176.087 0.300 1 141 15 15 TRP CA C 56.408 0.300 1 142 15 15 TRP CB C 30.235 0.300 1 143 15 15 TRP CD1 C 128.820 0.300 1 144 15 15 TRP CE3 C 122.085 0.300 1 145 15 15 TRP CZ2 C 114.040 0.300 1 146 15 15 TRP CZ3 C 123.460 0.300 1 147 15 15 TRP CH2 C 123.600 0.300 1 148 15 15 TRP N N 122.391 0.300 1 149 15 15 TRP NE1 N 131.117 0.300 1 150 16 16 GLY H H 6.697 0.030 1 151 16 16 GLY HA2 H 5.313 0.030 2 152 16 16 GLY HA3 H 2.521 0.030 2 153 16 16 GLY C C 171.533 0.300 1 154 16 16 GLY CA C 43.552 0.300 1 155 16 16 GLY N N 107.773 0.300 1 156 17 17 SER H H 8.628 0.030 1 157 17 17 SER HA H 3.931 0.030 1 158 17 17 SER HB2 H 3.586 0.030 2 159 17 17 SER HB3 H 3.868 0.030 2 160 17 17 SER C C 173.667 0.300 1 161 17 17 SER CA C 57.513 0.300 1 162 17 17 SER CB C 63.731 0.300 1 163 17 17 SER N N 117.591 0.300 1 164 18 18 ARG H H 8.631 0.030 1 165 18 18 ARG HA H 3.577 0.030 1 166 18 18 ARG HB2 H 1.533 0.030 2 167 18 18 ARG HB3 H 1.620 0.030 2 168 18 18 ARG HG2 H 1.474 0.030 1 169 18 18 ARG HG3 H 1.474 0.030 1 170 18 18 ARG HD2 H 3.111 0.030 2 171 18 18 ARG HD3 H 3.058 0.030 2 172 18 18 ARG HE H 7.358 0.030 1 173 18 18 ARG C C 177.898 0.300 1 174 18 18 ARG CA C 60.017 0.300 1 175 18 18 ARG CB C 29.634 0.300 1 176 18 18 ARG CG C 26.674 0.300 1 177 18 18 ARG CD C 42.959 0.300 1 178 18 18 ARG N N 120.674 0.300 1 179 18 18 ARG NE N 83.158 0.300 1 180 19 19 GLN H H 9.278 0.030 1 181 19 19 GLN HA H 3.904 0.030 1 182 19 19 GLN HB2 H 1.897 0.030 2 183 19 19 GLN HB3 H 1.951 0.030 2 184 19 19 GLN HG2 H 2.391 0.030 2 185 19 19 GLN HG3 H 2.675 0.030 2 186 19 19 GLN HE21 H 5.781 0.030 2 187 19 19 GLN HE22 H 7.634 0.030 2 188 19 19 GLN C C 178.643 0.300 1 189 19 19 GLN CA C 59.508 0.300 1 190 19 19 GLN CB C 28.455 0.300 1 191 19 19 GLN CG C 34.325 0.300 1 192 19 19 GLN N N 115.834 0.300 1 193 19 19 GLN NE2 N 111.502 0.300 1 194 20 20 LEU H H 8.470 0.030 1 195 20 20 LEU HA H 3.820 0.030 1 196 20 20 LEU HB2 H 1.855 0.030 2 197 20 20 LEU HB3 H 1.123 0.030 2 198 20 20 LEU HG H 1.362 0.030 1 199 20 20 LEU HD1 H 0.817 0.030 1 200 20 20 LEU HD2 H 0.824 0.030 1 201 20 20 LEU C C 177.774 0.300 1 202 20 20 LEU CA C 57.959 0.300 1 203 20 20 LEU CB C 41.469 0.300 1 204 20 20 LEU CG C 27.360 0.300 1 205 20 20 LEU CD1 C 23.535 0.300 2 206 20 20 LEU CD2 C 27.447 0.300 2 207 20 20 LEU N N 125.321 0.300 1 208 21 21 ILE H H 8.432 0.030 1 209 21 21 ILE HA H 3.364 0.030 1 210 21 21 ILE HB H 1.806 0.030 1 211 21 21 ILE HG12 H 1.225 0.030 2 212 21 21 ILE HG13 H 1.005 0.030 2 213 21 21 ILE HG2 H 0.502 0.030 1 214 21 21 ILE HD1 H -0.331 0.030 1 215 21 21 ILE C C 178.220 0.300 1 216 21 21 ILE CA C 62.852 0.300 1 217 21 21 ILE CB C 34.881 0.300 1 218 21 21 ILE CG1 C 27.788 0.300 1 219 21 21 ILE CG2 C 17.689 0.300 1 220 21 21 ILE CD1 C 8.483 0.300 1 221 21 21 ILE N N 120.591 0.300 1 222 22 22 GLU H H 8.477 0.030 1 223 22 22 GLU HA H 3.927 0.030 1 224 22 22 GLU HB2 H 1.956 0.030 2 225 22 22 GLU HB3 H 2.017 0.030 2 226 22 22 GLU HG2 H 2.229 0.030 2 227 22 22 GLU HG3 H 2.400 0.030 2 228 22 22 GLU C C 179.920 0.300 1 229 22 22 GLU CA C 59.734 0.300 1 230 22 22 GLU CB C 29.117 0.300 1 231 22 22 GLU CG C 36.879 0.300 1 232 22 22 GLU N N 118.791 0.300 1 233 23 23 PHE H H 8.040 0.030 1 234 23 23 PHE HA H 4.091 0.030 1 235 23 23 PHE HB2 H 3.219 0.030 2 236 23 23 PHE HB3 H 3.095 0.030 2 237 23 23 PHE HD1 H 6.931 0.030 1 238 23 23 PHE HD2 H 6.931 0.030 1 239 23 23 PHE HE1 H 6.460 0.030 1 240 23 23 PHE HE2 H 6.460 0.030 1 241 23 23 PHE HZ H 6.300 0.030 1 242 23 23 PHE C C 178.345 0.300 1 243 23 23 PHE CA C 61.296 0.300 1 244 23 23 PHE CB C 38.632 0.300 1 245 23 23 PHE CD1 C 131.523 0.300 1 246 23 23 PHE CD2 C 131.523 0.300 1 247 23 23 PHE CE1 C 130.294 0.300 1 248 23 23 PHE CE2 C 130.294 0.300 1 249 23 23 PHE CZ C 129.164 0.300 1 250 23 23 PHE N N 121.873 0.300 1 251 24 24 LEU H H 8.601 0.030 1 252 24 24 LEU HA H 3.608 0.030 1 253 24 24 LEU HB2 H 1.909 0.030 2 254 24 24 LEU HB3 H 1.151 0.030 2 255 24 24 LEU HG H 2.110 0.030 1 256 24 24 LEU HD1 H 1.125 0.030 1 257 24 24 LEU HD2 H 0.947 0.030 1 258 24 24 LEU C C 180.057 0.300 1 259 24 24 LEU CA C 57.942 0.300 1 260 24 24 LEU CB C 40.882 0.300 1 261 24 24 LEU CG C 27.342 0.300 1 262 24 24 LEU CD1 C 27.574 0.300 2 263 24 24 LEU CD2 C 21.797 0.300 2 264 24 24 LEU N N 120.741 0.300 1 265 25 25 HIS H H 9.069 0.030 1 266 25 25 HIS HA H 4.583 0.030 1 267 25 25 HIS HB2 H 3.331 0.030 2 268 25 25 HIS HB3 H 3.253 0.030 2 269 25 25 HIS HD2 H 7.348 0.030 1 270 25 25 HIS HE1 H 8.312 0.030 1 271 25 25 HIS C C 179.547 0.300 1 272 25 25 HIS CA C 58.178 0.300 1 273 25 25 HIS CB C 28.448 0.300 1 274 25 25 HIS CD2 C 119.053 0.300 1 275 25 25 HIS CE1 C 136.947 0.300 1 276 25 25 HIS N N 119.573 0.300 1 277 26 26 SER H H 8.342 0.030 1 278 26 26 SER HA H 4.318 0.030 1 279 26 26 SER HB2 H 4.033 0.030 1 280 26 26 SER HB3 H 4.033 0.030 1 281 26 26 SER C C 174.701 0.300 1 282 26 26 SER CA C 61.425 0.300 1 283 26 26 SER CB C 62.476 0.300 1 284 26 26 SER N N 119.091 0.300 1 285 27 27 LEU H H 7.024 0.030 1 286 27 27 LEU HA H 4.370 0.030 1 287 27 27 LEU HB2 H 1.666 0.030 2 288 27 27 LEU HB3 H 1.422 0.030 2 289 27 27 LEU HG H 1.118 0.030 1 290 27 27 LEU HD1 H 0.207 0.030 1 291 27 27 LEU HD2 H 0.526 0.030 1 292 27 27 LEU C C 177.364 0.300 1 293 27 27 LEU CA C 54.394 0.300 1 294 27 27 LEU CB C 42.440 0.300 1 295 27 27 LEU CG C 26.635 0.300 1 296 27 27 LEU CD1 C 25.340 0.300 2 297 27 27 LEU CD2 C 22.459 0.300 2 298 27 27 LEU N N 121.493 0.300 1 299 28 28 GLY H H 7.985 0.030 1 300 28 28 GLY HA2 H 4.102 0.030 2 301 28 28 GLY HA3 H 3.780 0.030 2 302 28 28 GLY C C 174.809 0.300 1 303 28 28 GLY CA C 45.678 0.300 1 304 28 28 GLY N N 108.140 0.300 1 305 29 29 LYS H H 7.699 0.030 1 306 29 29 LYS HA H 4.441 0.030 1 307 29 29 LYS HB2 H 1.590 0.030 2 308 29 29 LYS HB3 H 1.690 0.030 2 309 29 29 LYS HG2 H 1.325 0.030 2 310 29 29 LYS HG3 H 1.394 0.030 2 311 29 29 LYS HD2 H 1.644 0.030 1 312 29 29 LYS HD3 H 1.644 0.030 1 313 29 29 LYS HE2 H 2.894 0.030 2 314 29 29 LYS HE3 H 3.000 0.030 2 315 29 29 LYS C C 175.677 0.300 1 316 29 29 LYS CA C 54.183 0.300 1 317 29 29 LYS CB C 32.224 0.300 1 318 29 29 LYS CG C 24.440 0.300 1 319 29 29 LYS CD C 28.007 0.300 1 320 29 29 LYS CE C 42.061 0.300 1 321 29 29 LYS N N 118.085 0.300 1 322 30 30 ASP H H 8.591 0.030 1 323 30 30 ASP HA H 4.720 0.030 1 324 30 30 ASP HB2 H 2.758 0.030 2 325 30 30 ASP HB3 H 2.892 0.030 2 326 30 30 ASP C C 177.811 0.300 1 327 30 30 ASP CA C 54.113 0.300 1 328 30 30 ASP CB C 41.855 0.300 1 329 30 30 ASP N N 123.206 0.300 1 330 31 31 THR H H 8.822 0.030 1 331 31 31 THR HA H 4.770 0.030 1 332 31 31 THR HB H 4.959 0.030 1 333 31 31 THR HG2 H 1.272 0.030 1 334 31 31 THR C C 175.280 0.300 1 335 31 31 THR CA C 61.407 0.300 1 336 31 31 THR CB C 68.168 0.300 1 337 31 31 THR CG2 C 22.103 0.300 1 338 31 31 THR N N 115.492 0.300 1 339 32 32 SER H H 8.827 0.030 1 340 32 32 SER HA H 4.249 0.030 1 341 32 32 SER HB2 H 4.072 0.030 2 342 32 32 SER HB3 H 4.017 0.030 2 343 32 32 SER C C 174.699 0.300 1 344 32 32 SER CA C 62.573 0.300 1 345 32 32 SER CB C 62.830 0.300 1 346 32 32 SER N N 120.591 0.300 1 347 33 33 GLU H H 7.750 0.030 1 348 33 33 GLU HA H 4.531 0.030 1 349 33 33 GLU HB2 H 1.913 0.030 2 350 33 33 GLU HB3 H 1.696 0.030 2 351 33 33 GLU HG2 H 2.196 0.030 1 352 33 33 GLU HG3 H 2.196 0.030 1 353 33 33 GLU C C 174.648 0.300 1 354 33 33 GLU CA C 53.743 0.300 1 355 33 33 GLU CB C 32.019 0.300 1 356 33 33 GLU CG C 35.808 0.300 1 357 33 33 GLU N N 118.960 0.300 1 358 34 34 MET H H 8.117 0.030 1 359 34 34 MET HA H 1.127 0.030 1 360 34 34 MET HB2 H 1.312 0.030 2 361 34 34 MET HB3 H 1.564 0.030 2 362 34 34 MET HG2 H 1.715 0.030 2 363 34 34 MET HG3 H 1.924 0.030 2 364 34 34 MET HE H 2.127 0.030 1 365 34 34 MET C C 174.869 0.300 1 366 34 34 MET CA C 56.879 0.300 1 367 34 34 MET CB C 32.792 0.300 1 368 34 34 MET CG C 31.330 0.300 1 369 34 34 MET CE C 17.580 0.300 1 370 34 34 MET N N 121.343 0.300 1 371 35 35 ILE HA H 4.104 0.030 1 372 35 35 ILE HB H 1.474 0.030 1 373 35 35 ILE HG12 H 1.840 0.030 2 374 35 35 ILE HG13 H 1.030 0.030 2 375 35 35 ILE HG2 H 1.150 0.030 1 376 35 35 ILE HD1 H 1.099 0.030 1 377 35 35 ILE C C 175.437 0.300 1 378 35 35 ILE CA C 60.165 0.300 1 379 35 35 ILE CB C 39.543 0.300 1 380 35 35 ILE CG1 C 26.894 0.300 1 381 35 35 ILE CG2 C 19.028 0.300 1 382 35 35 ILE CD1 C 14.154 0.300 1 383 36 36 SER H H 9.503 0.030 1 384 36 36 SER HA H 4.172 0.030 1 385 36 36 SER HB2 H 4.337 0.030 2 386 36 36 SER HB3 H 4.117 0.030 2 387 36 36 SER C C 173.716 0.300 1 388 36 36 SER CA C 58.587 0.300 1 389 36 36 SER CB C 64.617 0.300 1 390 36 36 SER N N 125.842 0.300 1 391 37 37 ARG H H 8.841 0.030 1 392 37 37 ARG HA H 4.239 0.030 1 393 37 37 ARG HB2 H 1.605 0.030 2 394 37 37 ARG HB3 H 0.746 0.030 2 395 37 37 ARG HG2 H 1.223 0.030 1 396 37 37 ARG HG3 H 1.223 0.030 1 397 37 37 ARG HD2 H 2.528 0.030 2 398 37 37 ARG HD3 H 2.825 0.030 2 399 37 37 ARG HE H 6.446 0.030 1 400 37 37 ARG C C 179.399 0.300 1 401 37 37 ARG CA C 60.381 0.300 1 402 37 37 ARG CB C 30.513 0.300 1 403 37 37 ARG CG C 26.738 0.300 1 404 37 37 ARG CD C 43.763 0.300 1 405 37 37 ARG N N 124.861 0.300 1 406 37 37 ARG NE N 79.745 0.300 1 407 38 38 TYR H H 8.442 0.030 1 408 38 38 TYR HA H 4.260 0.030 1 409 38 38 TYR HB2 H 3.041 0.030 2 410 38 38 TYR HB3 H 3.087 0.030 2 411 38 38 TYR HD1 H 7.100 0.030 1 412 38 38 TYR HD2 H 7.100 0.030 1 413 38 38 TYR HE1 H 6.696 0.030 1 414 38 38 TYR HE2 H 6.696 0.030 1 415 38 38 TYR C C 177.961 0.300 1 416 38 38 TYR CA C 62.836 0.300 1 417 38 38 TYR CB C 38.422 0.300 1 418 38 38 TYR CD1 C 133.108 0.300 1 419 38 38 TYR CD2 C 133.108 0.300 1 420 38 38 TYR CE1 C 118.457 0.300 1 421 38 38 TYR CE2 C 118.457 0.300 1 422 38 38 TYR N N 118.791 0.300 1 423 39 39 ASP H H 7.974 0.030 1 424 39 39 ASP HA H 4.539 0.030 1 425 39 39 ASP HB2 H 2.971 0.030 2 426 39 39 ASP HB3 H 2.679 0.030 2 427 39 39 ASP C C 180.430 0.300 1 428 39 39 ASP CA C 57.929 0.300 1 429 39 39 ASP CB C 40.098 0.300 1 430 39 39 ASP N N 122.919 0.300 1 431 40 40 VAL H H 9.204 0.030 1 432 40 40 VAL HA H 3.657 0.030 1 433 40 40 VAL HB H 2.351 0.030 1 434 40 40 VAL HG1 H 1.138 0.030 1 435 40 40 VAL HG2 H 1.287 0.030 1 436 40 40 VAL C C 178.146 0.300 1 437 40 40 VAL CA C 67.954 0.300 1 438 40 40 VAL CB C 31.337 0.300 1 439 40 40 VAL CG1 C 24.014 0.300 2 440 40 40 VAL CG2 C 25.880 0.300 2 441 40 40 VAL N N 123.323 0.300 1 442 41 41 SER H H 8.545 0.030 1 443 41 41 SER HA H 4.070 0.030 1 444 41 41 SER HB2 H 4.217 0.030 2 445 41 41 SER HB3 H 4.121 0.030 2 446 41 41 SER C C 176.880 0.300 1 447 41 41 SER CA C 62.846 0.300 1 448 41 41 SER CB C 62.836 0.300 1 449 41 41 SER N N 117.061 0.300 1 450 42 42 ASP H H 8.015 0.030 1 451 42 42 ASP HA H 4.539 0.030 1 452 42 42 ASP HB2 H 2.721 0.030 2 453 42 42 ASP HB3 H 2.849 0.030 2 454 42 42 ASP C C 177.898 0.300 1 455 42 42 ASP CA C 57.752 0.300 1 456 42 42 ASP CB C 41.757 0.300 1 457 42 42 ASP N N 123.207 0.300 1 458 43 43 THR H H 8.341 0.030 1 459 43 43 THR HA H 3.986 0.030 1 460 43 43 THR HB H 4.647 0.030 1 461 43 43 THR HG2 H 1.198 0.030 1 462 43 43 THR C C 177.457 0.300 1 463 43 43 THR CA C 67.551 0.300 1 464 43 43 THR CB C 68.695 0.300 1 465 43 43 THR CG2 C 21.355 0.300 1 466 43 43 THR N N 118.341 0.300 1 467 44 44 ILE H H 8.721 0.030 1 468 44 44 ILE HA H 3.814 0.030 1 469 44 44 ILE HB H 2.067 0.030 1 470 44 44 ILE HG12 H 0.799 0.030 2 471 44 44 ILE HG13 H 1.967 0.030 2 472 44 44 ILE HG2 H 1.057 0.030 1 473 44 44 ILE HD1 H 0.601 0.030 1 474 44 44 ILE C C 176.855 0.300 1 475 44 44 ILE CA C 66.587 0.300 1 476 44 44 ILE CB C 37.544 0.300 1 477 44 44 ILE CG1 C 31.105 0.300 1 478 44 44 ILE CG2 C 17.812 0.300 1 479 44 44 ILE CD1 C 15.133 0.300 1 480 44 44 ILE N N 123.123 0.300 1 481 45 45 ALA H H 8.680 0.030 1 482 45 45 ALA HA H 4.128 0.030 1 483 45 45 ALA HB H 1.718 0.030 1 484 45 45 ALA C C 181.273 0.300 1 485 45 45 ALA CA C 56.333 0.300 1 486 45 45 ALA CB C 18.017 0.300 1 487 45 45 ALA N N 124.839 0.300 1 488 46 46 LYS H H 8.400 0.030 1 489 46 46 LYS HA H 4.116 0.030 1 490 46 46 LYS HB2 H 2.006 0.030 1 491 46 46 LYS HB3 H 2.006 0.030 1 492 46 46 LYS HG2 H 1.720 0.030 2 493 46 46 LYS HG3 H 1.533 0.030 2 494 46 46 LYS HD2 H 1.673 0.030 2 495 46 46 LYS HD3 H 1.740 0.030 2 496 46 46 LYS HE2 H 3.012 0.030 1 497 46 46 LYS HE3 H 3.012 0.030 1 498 46 46 LYS C C 178.768 0.300 1 499 46 46 LYS CA C 59.751 0.300 1 500 46 46 LYS CB C 32.490 0.300 1 501 46 46 LYS CG C 26.454 0.300 1 502 46 46 LYS CD C 28.971 0.300 1 503 46 46 LYS CE C 42.316 0.300 1 504 46 46 LYS N N 118.941 0.300 1 505 47 47 TYR H H 8.279 0.030 1 506 47 47 TYR HA H 4.252 0.030 1 507 47 47 TYR HB2 H 3.565 0.030 2 508 47 47 TYR HB3 H 3.233 0.030 2 509 47 47 TYR HD1 H 7.059 0.030 1 510 47 47 TYR HD2 H 7.059 0.030 1 511 47 47 TYR HE1 H 6.967 0.030 1 512 47 47 TYR HE2 H 6.967 0.030 1 513 47 47 TYR C C 176.546 0.300 1 514 47 47 TYR CA C 62.396 0.300 1 515 47 47 TYR CB C 39.328 0.300 1 516 47 47 TYR CD1 C 132.735 0.300 1 517 47 47 TYR CD2 C 132.735 0.300 1 518 47 47 TYR CE1 C 118.820 0.300 1 519 47 47 TYR CE2 C 118.820 0.300 1 520 47 47 TYR N N 124.104 0.300 1 521 48 48 ILE H H 8.866 0.030 1 522 48 48 ILE HA H 3.418 0.030 1 523 48 48 ILE HB H 2.122 0.030 1 524 48 48 ILE HG12 H 1.036 0.030 2 525 48 48 ILE HG13 H 2.141 0.030 2 526 48 48 ILE HG2 H 0.870 0.030 1 527 48 48 ILE HD1 H 0.928 0.030 1 528 48 48 ILE C C 178.232 0.300 1 529 48 48 ILE CA C 65.935 0.300 1 530 48 48 ILE CB C 38.654 0.300 1 531 48 48 ILE CG1 C 30.622 0.300 1 532 48 48 ILE CG2 C 18.029 0.300 1 533 48 48 ILE CD1 C 15.355 0.300 1 534 48 48 ILE N N 118.798 0.300 1 535 49 49 SER H H 7.667 0.030 1 536 49 49 SER HA H 4.284 0.030 1 537 49 49 SER HB2 H 4.005 0.030 1 538 49 49 SER HB3 H 4.005 0.030 1 539 49 49 SER C C 177.054 0.300 1 540 49 49 SER CA C 61.425 0.300 1 541 49 49 SER CB C 63.050 0.300 1 542 49 49 SER N N 112.883 0.300 1 543 50 50 LYS H H 8.503 0.030 1 544 50 50 LYS HA H 4.054 0.030 1 545 50 50 LYS HB2 H 1.900 0.030 2 546 50 50 LYS HB3 H 1.996 0.030 2 547 50 50 LYS HG2 H 1.469 0.030 1 548 50 50 LYS HG3 H 1.469 0.030 1 549 50 50 LYS HD2 H 1.733 0.030 1 550 50 50 LYS HD3 H 1.733 0.030 1 551 50 50 LYS HE2 H 3.012 0.030 1 552 50 50 LYS HE3 H 3.012 0.030 1 553 50 50 LYS C C 178.791 0.300 1 554 50 50 LYS CA C 59.289 0.300 1 555 50 50 LYS CB C 32.655 0.300 1 556 50 50 LYS CG C 24.678 0.300 1 557 50 50 LYS CD C 29.135 0.300 1 558 50 50 LYS CE C 42.316 0.300 1 559 50 50 LYS N N 123.498 0.300 1 560 51 51 GLU H H 8.290 0.030 1 561 51 51 GLU HA H 4.072 0.030 1 562 51 51 GLU HB2 H 2.101 0.030 2 563 51 51 GLU HB3 H 1.375 0.030 2 564 51 51 GLU HG2 H 1.626 0.030 2 565 51 51 GLU HG3 H 1.452 0.030 2 566 51 51 GLU C C 176.806 0.300 1 567 51 51 GLU CA C 55.745 0.300 1 568 51 51 GLU CB C 29.320 0.300 1 569 51 51 GLU CG C 35.702 0.300 1 570 51 51 GLU N N 114.591 0.300 1 571 52 52 GLY H H 7.544 0.030 1 572 52 52 GLY HA2 H 4.108 0.030 2 573 52 52 GLY HA3 H 3.917 0.030 2 574 52 52 GLY C C 176.632 0.300 1 575 52 52 GLY CA C 47.743 0.300 1 576 52 52 GLY N N 108.747 0.300 1 577 53 53 LEU H H 7.646 0.030 1 578 53 53 LEU HA H 4.451 0.030 1 579 53 53 LEU HB2 H 2.298 0.030 2 580 53 53 LEU HB3 H 1.485 0.030 2 581 53 53 LEU HG H 1.485 0.030 1 582 53 53 LEU HD1 H 0.905 0.030 1 583 53 53 LEU HD2 H 0.977 0.030 1 584 53 53 LEU C C 176.236 0.300 1 585 53 53 LEU CA C 54.588 0.300 1 586 53 53 LEU CB C 41.542 0.300 1 587 53 53 LEU CG C 26.897 0.300 1 588 53 53 LEU CD1 C 21.823 0.300 2 589 53 53 LEU CD2 C 27.125 0.300 2 590 53 53 LEU N N 115.384 0.300 1 591 54 54 LEU H H 7.848 0.030 1 592 54 54 LEU HA H 4.504 0.030 1 593 54 54 LEU HB2 H 1.719 0.030 2 594 54 54 LEU HB3 H 1.335 0.030 2 595 54 54 LEU HG H 1.666 0.030 1 596 54 54 LEU HD1 H 0.802 0.030 1 597 54 54 LEU HD2 H 0.952 0.030 1 598 54 54 LEU C C 177.947 0.300 1 599 54 54 LEU CA C 55.293 0.300 1 600 54 54 LEU CB C 41.548 0.300 1 601 54 54 LEU CG C 27.115 0.300 1 602 54 54 LEU CD1 C 23.287 0.300 2 603 54 54 LEU CD2 C 25.099 0.300 2 604 54 54 LEU N N 118.522 0.300 1 605 55 55 ASP H H 8.542 0.030 1 606 55 55 ASP HA H 4.470 0.030 1 607 55 55 ASP HB2 H 3.577 0.030 2 608 55 55 ASP HB3 H 2.109 0.030 2 609 55 55 ASP C C 175.787 0.300 1 610 55 55 ASP CA C 51.875 0.300 1 611 55 55 ASP CB C 41.894 0.300 1 612 55 55 ASP N N 126.901 0.300 1 613 56 56 PRO HA H 4.263 0.030 1 614 56 56 PRO HB2 H 2.364 0.030 2 615 56 56 PRO HB3 H 1.991 0.030 2 616 56 56 PRO HG2 H 2.059 0.030 1 617 56 56 PRO HG3 H 2.059 0.030 1 618 56 56 PRO HD2 H 4.029 0.030 2 619 56 56 PRO HD3 H 3.871 0.030 2 620 56 56 PRO C C 178.190 0.300 1 621 56 56 PRO CA C 64.607 0.300 1 622 56 56 PRO CB C 32.093 0.300 1 623 56 56 PRO CG C 27.329 0.300 1 624 56 56 PRO CD C 50.781 0.300 1 625 57 57 SER H H 8.758 0.030 1 626 57 57 SER HA H 4.496 0.030 1 627 57 57 SER HB2 H 3.870 0.030 2 628 57 57 SER HB3 H 3.921 0.030 2 629 57 57 SER C C 174.523 0.300 1 630 57 57 SER CA C 58.738 0.300 1 631 57 57 SER CB C 64.583 0.300 1 632 57 57 SER N N 113.090 0.300 1 633 58 58 ASN H H 7.679 0.030 1 634 58 58 ASN HA H 4.629 0.030 1 635 58 58 ASN HB2 H 2.874 0.030 2 636 58 58 ASN HB3 H 2.758 0.030 2 637 58 58 ASN HD21 H 7.034 0.030 2 638 58 58 ASN HD22 H 7.791 0.030 2 639 58 58 ASN C C 174.503 0.300 1 640 58 58 ASN CA C 53.144 0.300 1 641 58 58 ASN CB C 37.859 0.300 1 642 58 58 ASN N N 119.091 0.300 1 643 58 58 ASN ND2 N 110.715 0.300 1 644 59 59 LYS H H 8.797 0.030 1 645 59 59 LYS HA H 4.293 0.030 1 646 59 59 LYS HB2 H 2.060 0.030 2 647 59 59 LYS HB3 H 1.848 0.030 2 648 59 59 LYS HG2 H 1.493 0.030 2 649 59 59 LYS HG3 H 1.548 0.030 2 650 59 59 LYS HD2 H 1.666 0.030 2 651 59 59 LYS HD3 H 1.722 0.030 2 652 59 59 LYS HE2 H 3.012 0.030 1 653 59 59 LYS HE3 H 3.012 0.030 1 654 59 59 LYS C C 176.160 0.300 1 655 59 59 LYS CA C 58.401 0.300 1 656 59 59 LYS CB C 31.776 0.300 1 657 59 59 LYS CG C 25.346 0.300 1 658 59 59 LYS CD C 29.218 0.300 1 659 59 59 LYS CE C 42.203 0.300 1 660 59 59 LYS N N 122.687 0.300 1 661 60 60 LYS H H 7.842 0.030 1 662 60 60 LYS HA H 4.361 0.030 1 663 60 60 LYS HB2 H 2.096 0.030 2 664 60 60 LYS HB3 H 1.980 0.030 2 665 60 60 LYS HG2 H 1.521 0.030 2 666 60 60 LYS HG3 H 1.648 0.030 2 667 60 60 LYS HD2 H 1.780 0.030 1 668 60 60 LYS HD3 H 1.780 0.030 1 669 60 60 LYS HE2 H 3.052 0.030 1 670 60 60 LYS HE3 H 3.052 0.030 1 671 60 60 LYS C C 177.377 0.300 1 672 60 60 LYS CA C 57.495 0.300 1 673 60 60 LYS CB C 33.110 0.300 1 674 60 60 LYS CG C 25.996 0.300 1 675 60 60 LYS CD C 29.340 0.300 1 676 60 60 LYS CE C 42.262 0.300 1 677 60 60 LYS N N 115.130 0.300 1 678 61 61 LYS H H 8.591 0.030 1 679 61 61 LYS HA H 4.744 0.030 1 680 61 61 LYS HB2 H 1.783 0.030 2 681 61 61 LYS HB3 H 1.656 0.030 2 682 61 61 LYS HG2 H 0.653 0.030 2 683 61 61 LYS HG3 H 1.065 0.030 2 684 61 61 LYS HD2 H 1.350 0.030 2 685 61 61 LYS HD3 H 1.414 0.030 2 686 61 61 LYS HE2 H 2.538 0.030 2 687 61 61 LYS HE3 H 2.387 0.030 2 688 61 61 LYS C C 173.233 0.300 1 689 61 61 LYS CA C 55.575 0.300 1 690 61 61 LYS CB C 35.333 0.300 1 691 61 61 LYS CG C 25.346 0.300 1 692 61 61 LYS CD C 29.135 0.300 1 693 61 61 LYS CE C 41.538 0.300 1 694 61 61 LYS N N 121.550 0.300 1 695 62 62 VAL H H 8.772 0.030 1 696 62 62 VAL HA H 4.280 0.030 1 697 62 62 VAL HB H 1.891 0.030 1 698 62 62 VAL HG1 H 0.772 0.030 1 699 62 62 VAL HG2 H 0.711 0.030 1 700 62 62 VAL C C 175.292 0.300 1 701 62 62 VAL CA C 60.393 0.300 1 702 62 62 VAL CB C 34.613 0.300 1 703 62 62 VAL CG1 C 22.068 0.300 2 704 62 62 VAL CG2 C 21.014 0.300 2 705 62 62 VAL N N 121.393 0.300 1 706 63 63 VAL H H 8.803 0.030 1 707 63 63 VAL HA H 4.182 0.030 1 708 63 63 VAL HB H 2.134 0.030 1 709 63 63 VAL HG1 H 0.921 0.030 1 710 63 63 VAL HG2 H 0.915 0.030 1 711 63 63 VAL C C 175.285 0.300 1 712 63 63 VAL CA C 61.681 0.300 1 713 63 63 VAL CB C 30.390 0.300 1 714 63 63 VAL CG1 C 21.643 0.300 2 715 63 63 VAL CG2 C 20.092 0.300 2 716 63 63 VAL N N 127.915 0.300 1 717 64 64 CYS H H 8.059 0.030 1 718 64 64 CYS HA H 3.679 0.030 1 719 64 64 CYS HB2 H 3.128 0.030 2 720 64 64 CYS HB3 H 2.967 0.030 2 721 64 64 CYS C C 174.672 0.300 1 722 64 64 CYS CA C 59.962 0.300 1 723 64 64 CYS CB C 28.667 0.300 1 724 64 64 CYS N N 123.441 0.300 1 725 65 65 ASP H H 7.334 0.030 1 726 65 65 ASP HA H 4.732 0.030 1 727 65 65 ASP HB2 H 3.317 0.030 2 728 65 65 ASP HB3 H 2.911 0.030 2 729 65 65 ASP C C 175.181 0.300 1 730 65 65 ASP CA C 52.104 0.300 1 731 65 65 ASP CB C 40.943 0.300 1 732 65 65 ASP N N 122.370 0.300 1 733 66 66 LYS H H 8.407 0.030 1 734 66 66 LYS HA H 3.948 0.030 1 735 66 66 LYS HB2 H 1.842 0.030 2 736 66 66 LYS HB3 H 1.916 0.030 2 737 66 66 LYS HG2 H 1.422 0.030 2 738 66 66 LYS HG3 H 1.510 0.030 2 739 66 66 LYS HD2 H 1.687 0.030 2 740 66 66 LYS HD3 H 1.754 0.030 2 741 66 66 LYS HE2 H 2.949 0.030 1 742 66 66 LYS HE3 H 2.949 0.030 1 743 66 66 LYS C C 178.617 0.300 1 744 66 66 LYS CA C 60.369 0.300 1 745 66 66 LYS CB C 32.037 0.300 1 746 66 66 LYS CG C 24.605 0.300 1 747 66 66 LYS CD C 29.300 0.300 1 748 66 66 LYS CE C 42.151 0.300 1 749 66 66 LYS N N 118.791 0.300 1 750 67 67 ARG H H 7.664 0.030 1 751 67 67 ARG HA H 4.029 0.030 1 752 67 67 ARG HB2 H 2.163 0.030 2 753 67 67 ARG HB3 H 1.678 0.030 2 754 67 67 ARG HG2 H 1.597 0.030 2 755 67 67 ARG HG3 H 1.939 0.030 2 756 67 67 ARG HD2 H 2.832 0.030 2 757 67 67 ARG HD3 H 3.040 0.030 2 758 67 67 ARG C C 179.598 0.300 1 759 67 67 ARG CA C 60.183 0.300 1 760 67 67 ARG CB C 30.232 0.300 1 761 67 67 ARG CG C 28.671 0.300 1 762 67 67 ARG CD C 43.304 0.300 1 763 67 67 ARG N N 114.509 0.300 1 764 68 68 LEU H H 8.264 0.030 1 765 68 68 LEU HA H 4.043 0.030 1 766 68 68 LEU HB2 H 1.957 0.030 1 767 68 68 LEU HB3 H 1.957 0.030 1 768 68 68 LEU HG H 2.195 0.030 1 769 68 68 LEU HD1 H 1.030 0.030 1 770 68 68 LEU HD2 H 0.634 0.030 1 771 68 68 LEU C C 179.101 0.300 1 772 68 68 LEU CA C 57.728 0.300 1 773 68 68 LEU CB C 41.315 0.300 1 774 68 68 LEU CG C 27.337 0.300 1 775 68 68 LEU CD1 C 27.115 0.300 2 776 68 68 LEU CD2 C 23.128 0.300 2 777 68 68 LEU N N 117.741 0.300 1 778 69 69 VAL H H 8.925 0.030 1 779 69 69 VAL HA H 3.827 0.030 1 780 69 69 VAL HB H 2.030 0.030 1 781 69 69 VAL HG1 H 0.922 0.030 1 782 69 69 VAL HG2 H 0.793 0.030 1 783 69 69 VAL C C 179.958 0.300 1 784 69 69 VAL CA C 66.807 0.300 1 785 69 69 VAL CB C 31.498 0.300 1 786 69 69 VAL CG1 C 23.568 0.300 2 787 69 69 VAL CG2 C 21.557 0.300 2 788 69 69 VAL N N 122.391 0.300 1 789 70 70 LEU H H 7.619 0.030 1 790 70 70 LEU HA H 3.980 0.030 1 791 70 70 LEU HB2 H 1.895 0.030 2 792 70 70 LEU HB3 H 1.481 0.030 2 793 70 70 LEU HG H 1.792 0.030 1 794 70 70 LEU HD1 H 0.882 0.030 1 795 70 70 LEU HD2 H 0.855 0.030 1 796 70 70 LEU C C 177.973 0.300 1 797 70 70 LEU CA C 57.733 0.300 1 798 70 70 LEU CB C 41.536 0.300 1 799 70 70 LEU CG C 26.864 0.300 1 800 70 70 LEU CD1 C 25.346 0.300 2 801 70 70 LEU CD2 C 22.710 0.300 2 802 70 70 LEU N N 120.876 0.300 1 803 71 71 LEU H H 6.869 0.030 1 804 71 71 LEU HA H 3.756 0.030 1 805 71 71 LEU HB2 H 0.902 0.030 2 806 71 71 LEU HB3 H 0.649 0.030 2 807 71 71 LEU HG H -0.325 0.030 1 808 71 71 LEU HD1 H -0.262 0.030 1 809 71 71 LEU HD2 H -0.756 0.030 1 810 71 71 LEU C C 176.653 0.300 1 811 71 71 LEU CA C 57.312 0.300 1 812 71 71 LEU CB C 42.209 0.300 1 813 71 71 LEU CG C 25.774 0.300 1 814 71 71 LEU CD1 C 21.572 0.300 2 815 71 71 LEU CD2 C 25.350 0.300 2 816 71 71 LEU N N 116.960 0.300 1 817 72 72 PHE H H 8.347 0.030 1 818 72 72 PHE HA H 4.914 0.030 1 819 72 72 PHE HB2 H 3.357 0.030 2 820 72 72 PHE HB3 H 2.756 0.030 2 821 72 72 PHE HD1 H 7.356 0.030 1 822 72 72 PHE HD2 H 7.356 0.030 1 823 72 72 PHE HE1 H 6.878 0.030 1 824 72 72 PHE HE2 H 6.878 0.030 1 825 72 72 PHE HZ H 6.875 0.030 1 826 72 72 PHE C C 178.506 0.300 1 827 72 72 PHE CA C 58.605 0.300 1 828 72 72 PHE CB C 40.219 0.300 1 829 72 72 PHE CD1 C 131.537 0.300 1 830 72 72 PHE CD2 C 131.537 0.300 1 831 72 72 PHE CE1 C 128.304 0.300 1 832 72 72 PHE CE2 C 128.304 0.300 1 833 72 72 PHE CZ C 130.505 0.300 1 834 72 72 PHE N N 112.191 0.300 1 835 73 73 GLY H H 8.707 0.030 1 836 73 73 GLY HA2 H 4.149 0.030 2 837 73 73 GLY HA3 H 3.989 0.030 2 838 73 73 GLY C C 173.369 0.300 1 839 73 73 GLY CA C 46.474 0.300 1 840 73 73 GLY N N 109.491 0.300 1 841 74 74 THR H H 7.123 0.030 1 842 74 74 THR HA H 4.732 0.030 1 843 74 74 THR HB H 4.429 0.030 1 844 74 74 THR HG2 H 1.142 0.030 1 845 74 74 THR C C 172.352 0.300 1 846 74 74 THR CA C 59.187 0.300 1 847 74 74 THR CB C 70.425 0.300 1 848 74 74 THR CG2 C 21.145 0.300 1 849 74 74 THR N N 109.191 0.300 1 850 75 75 ARG H H 8.404 0.030 1 851 75 75 ARG HA H 4.141 0.030 1 852 75 75 ARG HB2 H 1.903 0.030 2 853 75 75 ARG HB3 H 1.957 0.030 2 854 75 75 ARG HG2 H 1.676 0.030 2 855 75 75 ARG HG3 H 1.804 0.030 2 856 75 75 ARG HD2 H 3.231 0.030 1 857 75 75 ARG HD3 H 3.231 0.030 1 858 75 75 ARG C C 177.054 0.300 1 859 75 75 ARG CA C 58.180 0.300 1 860 75 75 ARG CB C 30.788 0.300 1 861 75 75 ARG CG C 28.013 0.300 1 862 75 75 ARG CD C 42.870 0.300 1 863 75 75 ARG N N 119.249 0.300 1 864 76 76 THR H H 7.692 0.030 1 865 76 76 THR HA H 5.478 0.030 1 866 76 76 THR HB H 3.985 0.030 1 867 76 76 THR HG2 H 1.138 0.030 1 868 76 76 THR C C 173.754 0.300 1 869 76 76 THR CA C 59.733 0.300 1 870 76 76 THR CB C 72.381 0.300 1 871 76 76 THR CG2 C 21.362 0.300 1 872 76 76 THR N N 109.520 0.300 1 873 77 77 ILE H H 7.941 0.030 1 874 77 77 ILE HA H 4.598 0.030 1 875 77 77 ILE HB H 1.503 0.030 1 876 77 77 ILE HG12 H 0.613 0.030 2 877 77 77 ILE HG13 H 0.802 0.030 2 878 77 77 ILE HG2 H 0.352 0.030 1 879 77 77 ILE HD1 H 0.240 0.030 1 880 77 77 ILE C C 174.933 0.300 1 881 77 77 ILE CA C 59.516 0.300 1 882 77 77 ILE CB C 42.870 0.300 1 883 77 77 ILE CG1 C 25.770 0.300 1 884 77 77 ILE CG2 C 18.261 0.300 1 885 77 77 ILE CD1 C 14.334 0.300 1 886 77 77 ILE N N 114.371 0.300 1 887 78 78 PHE H H 8.658 0.030 1 888 78 78 PHE HA H 4.874 0.030 1 889 78 78 PHE HB2 H 3.227 0.030 2 890 78 78 PHE HB3 H 2.753 0.030 2 891 78 78 PHE HD1 H 7.337 0.030 1 892 78 78 PHE HD2 H 7.337 0.030 1 893 78 78 PHE C C 176.918 0.300 1 894 78 78 PHE CA C 58.429 0.300 1 895 78 78 PHE CB C 38.848 0.300 1 896 78 78 PHE CD1 C 131.613 0.300 1 897 78 78 PHE CD2 C 131.613 0.300 1 898 78 78 PHE N N 120.522 0.300 1 899 79 79 ARG H H 8.437 0.030 1 900 79 79 ARG HA H 3.661 0.030 1 901 79 79 ARG HB2 H 1.694 0.030 2 902 79 79 ARG HB3 H 1.754 0.030 2 903 79 79 ARG HG2 H 1.496 0.030 2 904 79 79 ARG HG3 H 1.720 0.030 2 905 79 79 ARG HD2 H 3.137 0.030 2 906 79 79 ARG HD3 H 3.277 0.030 2 907 79 79 ARG C C 177.637 0.300 1 908 79 79 ARG CA C 59.769 0.300 1 909 79 79 ARG CB C 30.663 0.300 1 910 79 79 ARG CG C 26.893 0.300 1 911 79 79 ARG CD C 43.799 0.300 1 912 79 79 ARG N N 124.791 0.300 1 913 80 80 MET H H 9.142 0.030 1 914 80 80 MET HA H 4.629 0.030 1 915 80 80 MET HB2 H 2.316 0.030 2 916 80 80 MET HB3 H 2.109 0.030 2 917 80 80 MET HG2 H 2.665 0.030 2 918 80 80 MET HG3 H 2.773 0.030 2 919 80 80 MET C C 177.302 0.300 1 920 80 80 MET CA C 56.227 0.300 1 921 80 80 MET CB C 31.203 0.300 1 922 80 80 MET CG C 32.546 0.300 1 923 80 80 MET N N 114.159 0.300 1 924 81 81 LYS H H 7.748 0.030 1 925 81 81 LYS HA H 4.744 0.030 1 926 81 81 LYS HB2 H 2.256 0.030 2 927 81 81 LYS HB3 H 1.994 0.030 2 928 81 81 LYS HG2 H 1.412 0.030 2 929 81 81 LYS HG3 H 1.646 0.030 2 930 81 81 LYS HD2 H 1.735 0.030 2 931 81 81 LYS HD3 H 1.797 0.030 2 932 81 81 LYS HE2 H 2.924 0.030 1 933 81 81 LYS HE3 H 2.924 0.030 1 934 81 81 LYS C C 175.602 0.300 1 935 81 81 LYS CA C 54.588 0.300 1 936 81 81 LYS CB C 32.009 0.300 1 937 81 81 LYS CG C 24.942 0.300 1 938 81 81 LYS CD C 28.229 0.300 1 939 81 81 LYS CE C 41.986 0.300 1 940 81 81 LYS N N 117.591 0.300 1 941 82 82 VAL H H 6.994 0.030 1 942 82 82 VAL HA H 3.211 0.030 1 943 82 82 VAL HB H 2.204 0.030 1 944 82 82 VAL HG1 H 1.085 0.030 1 945 82 82 VAL HG2 H 1.019 0.030 1 946 82 82 VAL C C 175.789 0.300 1 947 82 82 VAL CA C 68.342 0.300 1 948 82 82 VAL CB C 31.889 0.300 1 949 82 82 VAL CG1 C 22.681 0.300 2 950 82 82 VAL CG2 C 23.785 0.300 2 951 82 82 VAL N N 119.994 0.300 1 952 83 83 TYR H H 8.608 0.030 1 953 83 83 TYR HA H 3.996 0.030 1 954 83 83 TYR HB2 H 3.142 0.030 1 955 83 83 TYR HB3 H 3.142 0.030 1 956 83 83 TYR HD1 H 6.943 0.030 1 957 83 83 TYR HD2 H 6.943 0.030 1 958 83 83 TYR HE1 H 6.405 0.030 1 959 83 83 TYR HE2 H 6.405 0.030 1 960 83 83 TYR C C 179.027 0.300 1 961 83 83 TYR CA C 63.079 0.300 1 962 83 83 TYR CB C 37.999 0.300 1 963 83 83 TYR CD1 C 133.253 0.300 1 964 83 83 TYR CD2 C 133.253 0.300 1 965 83 83 TYR CE1 C 118.016 0.300 1 966 83 83 TYR CE2 C 118.016 0.300 1 967 83 83 TYR N N 117.785 0.300 1 968 84 84 ASP H H 8.184 0.030 1 969 84 84 ASP HA H 4.324 0.030 1 970 84 84 ASP HB2 H 2.796 0.030 1 971 84 84 ASP HB3 H 2.796 0.030 1 972 84 84 ASP C C 180.194 0.300 1 973 84 84 ASP CA C 57.521 0.300 1 974 84 84 ASP CB C 40.680 0.300 1 975 84 84 ASP N N 120.910 0.300 1 976 85 85 LEU H H 8.904 0.030 1 977 85 85 LEU HA H 4.202 0.030 1 978 85 85 LEU HB2 H 1.913 0.030 2 979 85 85 LEU HB3 H 1.491 0.030 2 980 85 85 LEU HG H 1.798 0.030 1 981 85 85 LEU HD1 H 0.936 0.030 1 982 85 85 LEU HD2 H 0.427 0.030 1 983 85 85 LEU C C 179.871 0.300 1 984 85 85 LEU CA C 57.519 0.300 1 985 85 85 LEU CB C 42.872 0.300 1 986 85 85 LEU CG C 26.737 0.300 1 987 85 85 LEU CD1 C 22.234 0.300 2 988 85 85 LEU CD2 C 25.340 0.300 2 989 85 85 LEU N N 122.154 0.300 1 990 86 86 LEU H H 7.807 0.030 1 991 86 86 LEU HA H 4.501 0.030 1 992 86 86 LEU HB2 H 2.095 0.030 2 993 86 86 LEU HB3 H 1.644 0.030 2 994 86 86 LEU HG H 2.177 0.030 1 995 86 86 LEU HD1 H 1.009 0.030 1 996 86 86 LEU HD2 H 0.773 0.030 1 997 86 86 LEU C C 178.226 0.300 1 998 86 86 LEU CA C 56.183 0.300 1 999 86 86 LEU CB C 44.647 0.300 1 1000 86 86 LEU CG C 26.900 0.300 1 1001 86 86 LEU CD1 C 27.829 0.300 2 1002 86 86 LEU CD2 C 22.710 0.300 2 1003 86 86 LEU N N 116.391 0.300 1 1004 87 87 GLU H H 7.758 0.030 1 1005 87 87 GLU HA H 3.537 0.030 1 1006 87 87 GLU HB2 H 2.221 0.030 2 1007 87 87 GLU HB3 H 2.316 0.030 2 1008 87 87 GLU HG2 H 2.228 0.030 1 1009 87 87 GLU HG3 H 2.228 0.030 1 1010 87 87 GLU C C 178.593 0.300 1 1011 87 87 GLU CA C 61.730 0.300 1 1012 87 87 GLU CB C 30.565 0.300 1 1013 87 87 GLU CG C 36.220 0.300 1 1014 87 87 GLU N N 121.886 0.300 1 1015 88 88 LYS H H 8.209 0.030 1 1016 88 88 LYS HA H 4.390 0.030 1 1017 88 88 LYS HB2 H 1.812 0.030 2 1018 88 88 LYS HB3 H 1.865 0.030 2 1019 88 88 LYS HG2 H 1.317 0.030 2 1020 88 88 LYS HG3 H 1.523 0.030 2 1021 88 88 LYS HD2 H 1.640 0.030 2 1022 88 88 LYS HD3 H 1.690 0.030 2 1023 88 88 LYS HE2 H 2.897 0.030 2 1024 88 88 LYS HE3 H 2.998 0.030 2 1025 88 88 LYS C C 176.012 0.300 1 1026 88 88 LYS CA C 57.055 0.300 1 1027 88 88 LYS CB C 31.789 0.300 1 1028 88 88 LYS CG C 24.522 0.300 1 1029 88 88 LYS CD C 28.669 0.300 1 1030 88 88 LYS CE C 42.017 0.300 1 1031 88 88 LYS N N 112.732 0.300 1 1032 89 89 HIS H H 8.005 0.030 1 1033 89 89 HIS HA H 4.332 0.030 1 1034 89 89 HIS HB2 H 3.431 0.030 2 1035 89 89 HIS HB3 H 3.199 0.030 2 1036 89 89 HIS HD2 H 7.428 0.030 1 1037 89 89 HIS HE1 H 7.332 0.030 1 1038 89 89 HIS C C 173.132 0.300 1 1039 89 89 HIS CA C 58.200 0.300 1 1040 89 89 HIS CB C 31.991 0.300 1 1041 89 89 HIS CD2 C 116.493 0.300 1 1042 89 89 HIS CE1 C 138.671 0.300 1 1043 89 89 HIS N N 115.341 0.300 1 1044 90 90 TYR H H 7.578 0.030 1 1045 90 90 TYR HA H 5.023 0.030 1 1046 90 90 TYR HB2 H 3.167 0.030 2 1047 90 90 TYR HB3 H 3.086 0.030 2 1048 90 90 TYR HD1 H 7.594 0.030 1 1049 90 90 TYR HD2 H 7.594 0.030 1 1050 90 90 TYR HE1 H 6.827 0.030 1 1051 90 90 TYR HE2 H 6.827 0.030 1 1052 90 90 TYR C C 175.602 0.300 1 1053 90 90 TYR CA C 58.164 0.300 1 1054 90 90 TYR CB C 40.946 0.300 1 1055 90 90 TYR CD1 C 132.626 0.300 1 1056 90 90 TYR CD2 C 132.626 0.300 1 1057 90 90 TYR CE1 C 117.854 0.300 1 1058 90 90 TYR CE2 C 117.854 0.300 1 1059 90 90 TYR N N 118.641 0.300 1 1060 91 91 LYS H H 8.049 0.030 1 1061 91 91 LYS HA H 3.126 0.030 1 1062 91 91 LYS HB2 H 1.633 0.030 2 1063 91 91 LYS HB3 H 1.208 0.030 2 1064 91 91 LYS HG2 H 0.839 0.030 2 1065 91 91 LYS HG3 H 1.112 0.030 2 1066 91 91 LYS HD2 H 1.360 0.030 2 1067 91 91 LYS HD3 H 1.412 0.030 2 1068 91 91 LYS HE2 H 2.821 0.030 1 1069 91 91 LYS HE3 H 2.821 0.030 1 1070 91 91 LYS C C 177.141 0.300 1 1071 91 91 LYS CA C 57.795 0.300 1 1072 91 91 LYS CB C 32.820 0.300 1 1073 91 91 LYS CG C 24.669 0.300 1 1074 91 91 LYS CD C 28.956 0.300 1 1075 91 91 LYS CE C 42.207 0.300 1 1076 91 91 LYS N N 124.911 0.300 1 1077 92 92 GLU H H 8.798 0.030 1 1078 92 92 GLU HA H 4.288 0.030 1 1079 92 92 GLU HB2 H 2.038 0.030 1 1080 92 92 GLU HB3 H 2.038 0.030 1 1081 92 92 GLU HG2 H 2.290 0.030 1 1082 92 92 GLU HG3 H 2.290 0.030 1 1083 92 92 GLU C C 176.148 0.300 1 1084 92 92 GLU CA C 56.826 0.300 1 1085 92 92 GLU CB C 30.090 0.300 1 1086 92 92 GLU CG C 35.991 0.300 1 1087 92 92 GLU N N 119.998 0.300 1 1088 93 93 ASN H H 8.267 0.030 1 1089 93 93 ASN HA H 4.780 0.030 1 1090 93 93 ASN HB2 H 2.953 0.030 2 1091 93 93 ASN HB3 H 2.871 0.030 2 1092 93 93 ASN HD21 H 7.850 0.030 2 1093 93 93 ASN HD22 H 6.990 0.030 2 1094 93 93 ASN C C 175.348 0.300 1 1095 93 93 ASN CA C 53.320 0.300 1 1096 93 93 ASN CB C 39.195 0.300 1 1097 93 93 ASN N N 118.941 0.300 1 1098 93 93 ASN ND2 N 113.240 0.300 1 1099 94 94 GLN H H 8.226 0.030 1 1100 94 94 GLN HA H 4.348 0.030 1 1101 94 94 GLN HB2 H 2.156 0.030 2 1102 94 94 GLN HB3 H 1.994 0.030 2 1103 94 94 GLN HG2 H 2.342 0.030 2 1104 94 94 GLN HG3 H 2.392 0.030 2 1105 94 94 GLN HE21 H 7.547 0.030 2 1106 94 94 GLN HE22 H 6.896 0.030 2 1107 94 94 GLN C C 175.727 0.300 1 1108 94 94 GLN CA C 56.181 0.300 1 1109 94 94 GLN CB C 29.530 0.300 1 1110 94 94 GLN CG C 33.769 0.300 1 1111 94 94 GLN N N 120.522 0.300 1 1112 94 94 GLN NE2 N 113.236 0.300 1 1113 95 95 ASP H H 8.431 0.030 1 1114 95 95 ASP HA H 4.679 0.030 1 1115 95 95 ASP HB2 H 2.754 0.030 2 1116 95 95 ASP HB3 H 2.646 0.030 2 1117 95 95 ASP C C 176.236 0.300 1 1118 95 95 ASP CA C 54.501 0.300 1 1119 95 95 ASP CB C 41.336 0.300 1 1120 95 95 ASP N N 121.573 0.300 1 1121 96 96 SER H H 8.271 0.030 1 1122 96 96 SER HA H 4.501 0.030 1 1123 96 96 SER HB2 H 3.939 0.030 2 1124 96 96 SER HB3 H 3.892 0.030 2 1125 96 96 SER CA C 58.500 0.300 1 1126 96 96 SER CB C 64.100 0.300 1 1127 96 96 SER N N 116.391 0.300 1 1128 97 97 GLY H H 8.311 0.030 1 1129 97 97 GLY HA2 H 4.140 0.030 1 1130 97 97 GLY HA3 H 4.140 0.030 1 1131 97 97 GLY C C 171.884 0.300 1 1132 97 97 GLY CA C 44.764 0.300 1 1133 97 97 GLY N N 110.777 0.300 1 1134 98 98 PRO HA H 4.495 0.030 1 1135 98 98 PRO HB2 H 2.182 0.030 2 1136 98 98 PRO HB3 H 2.416 0.030 2 1137 98 98 PRO HG2 H 1.865 0.030 2 1138 98 98 PRO HG3 H 1.950 0.030 2 1139 98 98 PRO HD2 H 3.641 0.030 1 1140 98 98 PRO HD3 H 3.641 0.030 1 1141 98 98 PRO CA C 63.294 0.300 1 1142 98 98 PRO CB C 34.798 0.300 1 1143 98 98 PRO CG C 24.816 0.300 1 1144 98 98 PRO CD C 49.855 0.300 1 stop_ save_