data_15230 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments for the small GTPase RalB in its active conformation ; _BMRB_accession_number 15230 _BMRB_flat_file_name bmr15230.str _Entry_type original _Submission_date 2007-04-30 _Accession_date 2007-04-30 _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 Prasannan Sunil . . 2 Fenwick R. Bryn . 3 Campbell Louise J. . 4 Evetts Katrina . . 5 Nietlispach Daniel . . 6 Owen Darerca . . 7 Mott Helen R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 S2_parameters 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1035 "13C chemical shifts" 776 "15N chemical shifts" 178 "T1 relaxation values" 127 "T2 relaxation values" 127 "order parameters" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-28 update BMRB ; added tags for tau e, f, and s units to order parameter save frame exchange values for atom_ID in the heteronuclear NOE save frame ; 2009-08-31 update BMRB 'correct entry citation' 2009-02-04 update BMRB 'Correction of residue number in S2 table' 2008-10-16 update BMRB 'complete entry citation' 2007-08-22 original author 'original release' stop_ _Original_release_date 2007-04-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignments for the small G protein RalB in its active conformation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636851 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Prasannan Sunil . . 2 Fenwick 'R. Bryn' . . 3 Campbell Louise J. . 4 Evetts Katrina A. . 5 Nietlispach Daniel . . 6 Owen Darerca . . 7 Mott Helen R. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 147 _Page_last 149 _Year 2007 _Details . loop_ _Keyword GTPase NMR RalB assignment stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RalB-GMPPNP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RalB $RalB GMPPNP $GNP 'MAGNESIUM ION' $MG 'BOUND WATER, 1' $entity_HOH 'BOUND WATER, 2' $entity_HOH stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RalB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RalB _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 186 _Mol_residue_sequence ; HMAANKSKGQSSLALHKVIM VGSGGVGKSALTLQFMYDEF VEDYEPTKADSYRKKVVLDG EEVQIDILDTAGLEDYAAIR DNYFRSGEGFLLVFSITEHE SFTATAEFREQILRVKAEED KIPLLVVGNKSDLEERRQVP VEEARSKAEEWGVQYVETSA KTRANVDKVFFDLMREIRTK KMSENK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 HIS 2 1 MET 3 2 ALA 4 3 ALA 5 4 ASN 6 5 LYS 7 6 SER 8 7 LYS 9 8 GLY 10 9 GLN 11 10 SER 12 11 SER 13 12 LEU 14 13 ALA 15 14 LEU 16 15 HIS 17 16 LYS 18 17 VAL 19 18 ILE 20 19 MET 21 20 VAL 22 21 GLY 23 22 SER 24 23 GLY 25 24 GLY 26 25 VAL 27 26 GLY 28 27 LYS 29 28 SER 30 29 ALA 31 30 LEU 32 31 THR 33 32 LEU 34 33 GLN 35 34 PHE 36 35 MET 37 36 TYR 38 37 ASP 39 38 GLU 40 39 PHE 41 40 VAL 42 41 GLU 43 42 ASP 44 43 TYR 45 44 GLU 46 45 PRO 47 46 THR 48 47 LYS 49 48 ALA 50 49 ASP 51 50 SER 52 51 TYR 53 52 ARG 54 53 LYS 55 54 LYS 56 55 VAL 57 56 VAL 58 57 LEU 59 58 ASP 60 59 GLY 61 60 GLU 62 61 GLU 63 62 VAL 64 63 GLN 65 64 ILE 66 65 ASP 67 66 ILE 68 67 LEU 69 68 ASP 70 69 THR 71 70 ALA 72 71 GLY 73 72 LEU 74 73 GLU 75 74 ASP 76 75 TYR 77 76 ALA 78 77 ALA 79 78 ILE 80 79 ARG 81 80 ASP 82 81 ASN 83 82 TYR 84 83 PHE 85 84 ARG 86 85 SER 87 86 GLY 88 87 GLU 89 88 GLY 90 89 PHE 91 90 LEU 92 91 LEU 93 92 VAL 94 93 PHE 95 94 SER 96 95 ILE 97 96 THR 98 97 GLU 99 98 HIS 100 99 GLU 101 100 SER 102 101 PHE 103 102 THR 104 103 ALA 105 104 THR 106 105 ALA 107 106 GLU 108 107 PHE 109 108 ARG 110 109 GLU 111 110 GLN 112 111 ILE 113 112 LEU 114 113 ARG 115 114 VAL 116 115 LYS 117 116 ALA 118 117 GLU 119 118 GLU 120 119 ASP 121 120 LYS 122 121 ILE 123 122 PRO 124 123 LEU 125 124 LEU 126 125 VAL 127 126 VAL 128 127 GLY 129 128 ASN 130 129 LYS 131 130 SER 132 131 ASP 133 132 LEU 134 133 GLU 135 134 GLU 136 135 ARG 137 136 ARG 138 137 GLN 139 138 VAL 140 139 PRO 141 140 VAL 142 141 GLU 143 142 GLU 144 143 ALA 145 144 ARG 146 145 SER 147 146 LYS 148 147 ALA 149 148 GLU 150 149 GLU 151 150 TRP 152 151 GLY 153 152 VAL 154 153 GLN 155 154 TYR 156 155 VAL 157 156 GLU 158 157 THR 159 158 SER 160 159 ALA 161 160 LYS 162 161 THR 163 162 ARG 164 163 ALA 165 164 ASN 166 165 VAL 167 166 ASP 168 167 LYS 169 168 VAL 170 169 PHE 171 170 PHE 172 171 ASP 173 172 LEU 174 173 MET 175 174 ARG 176 175 GLU 177 176 ILE 178 177 ARG 179 178 THR 180 179 LYS 181 180 LYS 182 181 MET 183 182 SER 184 183 GLU 185 184 ASN 186 185 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 GB AAM12625 RalB . . . . . stop_ save_ ############# # Ligands # ############# save_GNP _Saveframe_category ligand _Mol_type non-polymer _Name_common "GNP (PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER)" _BMRB_code . _PDB_code GNP _Molecular_mass 522.196 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 03:02:30 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1' C1' C R 0 . ? C2 C2 C N 0 . ? C2' C2' C R 0 . ? C3' C3' C S 0 . ? C4 C4 C N 0 . ? C4' C4' C R 0 . ? C5 C5 C N 0 . ? C5' C5' C N 0 . ? C6 C6 C N 0 . ? C8 C8 C N 0 . ? H1' H1' H N 0 . ? H2' H2' H N 0 . ? H3' H3' H N 0 . ? H4' H4' H N 0 . ? H5'1 H5'1 H N 0 . ? H5'2 H5'2 H N 0 . ? H8 H8 H N 0 . ? HN1 HN1 H N 0 . ? HN21 HN21 H N 0 . ? HN22 HN22 H N 0 . ? HNB3 HNB3 H N 0 . ? HO2' HO2' H N 0 . ? HO3' HO3' H N 0 . ? HOA2 HOA2 H N 0 . ? HOB2 HOB2 H N 0 . ? HOG2 HOG2 H N 0 . ? HOG3 HOG3 H N 0 . ? N1 N1 N N 0 . ? N2 N2 N N 0 . ? N3 N3 N N 0 . ? N3B N3B N N 0 . ? N7 N7 N N 0 . ? N9 N9 N N 0 . ? O1A O1A O N 0 . ? O1B O1B O N 0 . ? O1G O1G O N 0 . ? O2' O2' O N 0 . ? O2A O2A O N 0 . ? O2B O2B O N 0 . ? O2G O2G O N 0 . ? O3' O3' O N 0 . ? O3A O3A O N 0 . ? O3G O3G O N 0 . ? O4' O4' O N 0 . ? O5' O5' O N 0 . ? O6 O6 O N 0 . ? PA PA P S 0 . ? PB PB P R 0 . ? PG PG P N 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PG O1G ? ? SING PG O2G ? ? SING PG O3G ? ? SING PG N3B ? ? SING O2G HOG2 ? ? SING O3G HOG3 ? ? SING N3B PB ? ? SING N3B HNB3 ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'2 ? ? SING C5' H5'1 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_MG _Saveframe_category ligand _Mol_type non-polymer _Name_common "MG (MAGNESIUM ION)" _BMRB_code . _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 04:02:19 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RalB Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $RalB 'recombinant technology' . Escherichia coli BL21 DE3 pET16b 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 $RalB 0.6 mM '[U-99% 13C; U-99% 15N]' $GNP 0.6 mM none $MG 1 mM none 'sodium chloride' 100 mM none D2O 10 % none 'sodium azide' 0.05 % none 'sodium phosphate' 50 mM none stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RalB 0.6 mM '[U-99% 15N]' $GNP 0.6 mM none $MG 1 mM none 'sodium chloride' 100 mM none D2O 10 % none 'sodium azide' 0.05 % none 'sodium phosphate' 50 mM none stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RalB 0.6 mM none $GNP 0.6 mM none $MG 1 mM none 'sodium chloride' 100 mM none D2O 10 % none 'sodium azide' 0.05 % none 'sodium phosphate' 50 mM none stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Saveframe_category software _Name AZARA _Version . loop_ _Vendor _Address _Electronic_address 'W Boucher' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version . loop_ _Vendor _Address _Electronic_address 'W. Vranken, W. Boucher, T. Stevens, R. Fogh, A. Pajon, M. Llinas, E. Ulrich, J. Markley, J. Ionides, E. Laue' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'A Brunger, P Adams, M Clore, P Gros, M Nilges and R Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'G Cornilescu, F Delaglio and A Bax' . . stop_ loop_ _Task 'torsion angle prediction' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "J Linge, S O'Donoghue and M Nilges" . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_Tensor2 _Saveframe_category software _Name Tensor2 _Version . loop_ _Vendor _Address _Electronic_address 'P. Dosset, J-C. Hus, M. Blackledge, D. Marion' . . stop_ loop_ _Task 'Model-free analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D C(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RalB _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 12 13 LEU HA H 4.115 0.002 1 2 12 13 LEU HB2 H 1.587 0.003 1 3 12 13 LEU HB3 H 1.587 0.003 1 4 12 13 LEU HD1 H 0.821 0.003 2 5 12 13 LEU HD2 H 0.840 0.003 2 6 12 13 LEU HG H 1.640 0.024 1 7 12 13 LEU C C 176.117 0.000 1 8 12 13 LEU CA C 55.662 0.012 1 9 12 13 LEU CB C 42.067 0.014 1 10 12 13 LEU CD1 C 24.297 0.049 2 11 12 13 LEU CD2 C 25.213 0.017 2 12 12 13 LEU CG C 27.420 0.102 1 13 13 14 ALA H H 8.162 0.025 1 14 13 14 ALA HA H 4.162 0.002 1 15 13 14 ALA HB H 1.209 0.002 1 16 13 14 ALA C C 175.515 0.000 1 17 13 14 ALA CA C 51.906 0.028 1 18 13 14 ALA CB C 19.325 0.042 1 19 13 14 ALA N N 120.916 0.041 1 20 14 15 LEU H H 7.012 0.012 1 21 14 15 LEU HA H 4.935 0.008 1 22 14 15 LEU HB2 H 1.168 0.004 2 23 14 15 LEU HB3 H 1.463 0.005 2 24 14 15 LEU HD1 H 0.586 0.002 2 25 14 15 LEU HD2 H 0.678 0.003 2 26 14 15 LEU HG H 1.085 0.003 1 27 14 15 LEU C C 174.352 0.000 1 28 14 15 LEU CA C 53.560 0.028 1 29 14 15 LEU CB C 44.467 0.015 1 30 14 15 LEU CD1 C 23.633 0.040 2 31 14 15 LEU CD2 C 25.427 0.027 2 32 14 15 LEU CG C 27.872 0.019 1 33 14 15 LEU N N 122.483 0.032 1 34 15 16 HIS H H 8.545 0.014 1 35 15 16 HIS HA H 5.343 0.008 1 36 15 16 HIS HB2 H 2.648 0.002 2 37 15 16 HIS HB3 H 2.751 0.005 2 38 15 16 HIS HD2 H 6.594 0.003 1 39 15 16 HIS HE1 H 7.380 0.003 1 40 15 16 HIS C C 174.452 0.000 1 41 15 16 HIS CA C 53.537 0.015 1 42 15 16 HIS CB C 33.108 0.017 1 43 15 16 HIS CD2 C 116.812 0.019 1 44 15 16 HIS CE1 C 137.869 0.014 1 45 15 16 HIS N N 125.369 0.049 1 46 16 17 LYS H H 8.676 0.012 1 47 16 17 LYS HA H 4.856 0.003 1 48 16 17 LYS HB2 H 1.527 0.021 2 49 16 17 LYS HB3 H 1.863 0.003 2 50 16 17 LYS HD2 H 1.567 0.004 1 51 16 17 LYS HD3 H 1.567 0.004 1 52 16 17 LYS HE2 H 2.810 0.002 1 53 16 17 LYS HE3 H 2.810 0.002 1 54 16 17 LYS HG2 H 1.099 0.005 2 55 16 17 LYS HG3 H 1.313 0.004 2 56 16 17 LYS C C 175.098 0.000 1 57 16 17 LYS CA C 56.284 0.035 1 58 16 17 LYS CB C 33.001 0.018 1 59 16 17 LYS CD C 29.420 0.039 1 60 16 17 LYS CE C 42.035 0.015 1 61 16 17 LYS CG C 25.122 0.008 1 62 16 17 LYS N N 123.837 0.029 1 63 17 18 VAL H H 9.426 0.012 1 64 17 18 VAL HA H 4.387 0.003 1 65 17 18 VAL HB H 1.845 0.004 1 66 17 18 VAL HG1 H 0.631 0.004 2 67 17 18 VAL HG2 H 0.687 0.002 2 68 17 18 VAL C C 174.205 0.000 1 69 17 18 VAL CA C 60.865 0.019 1 70 17 18 VAL CB C 34.645 0.034 1 71 17 18 VAL CG1 C 21.284 0.021 2 72 17 18 VAL CG2 C 21.293 0.048 2 73 17 18 VAL N N 126.598 0.044 1 74 18 19 ILE H H 7.949 0.013 1 75 18 19 ILE HA H 4.696 0.008 1 76 18 19 ILE HB H 1.854 0.002 1 77 18 19 ILE HD1 H 0.673 0.002 1 78 18 19 ILE HG12 H 1.071 0.001 2 79 18 19 ILE HG13 H 1.151 0.003 2 80 18 19 ILE HG2 H 0.954 0.003 1 81 18 19 ILE C C 175.195 0.000 1 82 18 19 ILE CA C 58.968 0.028 1 83 18 19 ILE CB C 38.484 0.013 1 84 18 19 ILE CD1 C 12.400 0.016 1 85 18 19 ILE CG1 C 27.985 0.039 1 86 18 19 ILE CG2 C 17.662 0.027 1 87 18 19 ILE N N 125.264 0.063 1 88 19 20 MET H H 8.269 0.012 1 89 19 20 MET HA H 4.995 0.007 1 90 19 20 MET HB2 H 1.688 0.002 2 91 19 20 MET HB3 H 2.396 0.003 2 92 19 20 MET HE H 1.891 0.003 1 93 19 20 MET HG2 H 2.425 0.004 2 94 19 20 MET HG3 H 2.546 0.002 2 95 19 20 MET C C 175.542 0.000 1 96 19 20 MET CA C 53.254 0.012 1 97 19 20 MET CB C 31.100 0.033 1 98 19 20 MET CE C 16.340 0.043 1 99 19 20 MET CG C 31.099 0.035 1 100 19 20 MET N N 123.265 0.028 1 101 20 21 VAL H H 8.948 0.011 1 102 20 21 VAL HA H 4.313 0.003 1 103 20 21 VAL HB H 1.859 0.002 1 104 20 21 VAL HG1 H 0.558 0.002 2 105 20 21 VAL HG2 H 0.866 0.001 2 106 20 21 VAL C C 173.091 0.000 1 107 20 21 VAL CA C 60.500 0.031 1 108 20 21 VAL CB C 35.140 0.059 1 109 20 21 VAL CG1 C 22.490 0.041 2 110 20 21 VAL CG2 C 22.968 0.029 2 111 20 21 VAL N N 122.913 0.039 1 112 21 22 GLY H H 7.512 0.011 1 113 21 22 GLY HA2 H 3.596 0.002 2 114 21 22 GLY HA3 H 4.594 0.001 2 115 21 22 GLY C C 173.242 0.000 1 116 21 22 GLY CA C 45.306 0.011 1 117 21 22 GLY N N 111.720 0.042 1 118 22 23 SER H H 9.736 0.027 1 119 22 23 SER HA H 4.496 0.004 1 120 22 23 SER HB2 H 3.967 0.006 1 121 22 23 SER HB3 H 3.967 0.006 1 122 22 23 SER C C 173.786 0.000 1 123 22 23 SER CA C 59.857 0.049 1 124 22 23 SER CB C 64.154 0.040 1 125 22 23 SER N N 117.952 0.047 1 126 23 24 GLY H H 8.590 0.017 1 127 23 24 GLY HA2 H 3.710 0.003 2 128 23 24 GLY HA3 H 4.783 0.021 2 129 23 24 GLY C C 176.880 0.000 1 130 23 24 GLY CA C 46.962 0.051 1 131 23 24 GLY N N 107.365 0.038 1 132 24 25 GLY H H 9.046 0.023 1 133 24 25 GLY HA2 H 4.082 0.004 2 134 24 25 GLY HA3 H 4.083 0.005 2 135 24 25 GLY C C 174.037 0.000 1 136 24 25 GLY CA C 46.302 0.017 1 137 24 25 GLY N N 113.480 0.054 1 138 25 26 VAL H H 7.254 0.011 1 139 25 26 VAL HA H 3.778 0.005 1 140 25 26 VAL HB H 1.911 0.003 1 141 25 26 VAL HG1 H 0.912 0.004 2 142 25 26 VAL HG2 H 1.027 0.003 2 143 25 26 VAL C C 174.390 0.000 1 144 25 26 VAL CA C 63.167 0.014 1 145 25 26 VAL CB C 31.919 0.058 1 146 25 26 VAL CG1 C 17.535 0.043 2 147 25 26 VAL CG2 C 22.406 0.035 2 148 25 26 VAL N N 111.497 0.044 1 149 26 27 GLY H H 8.279 0.007 1 150 26 27 GLY HA2 H 4.352 0.006 2 151 26 27 GLY HA3 H 4.576 0.003 2 152 26 27 GLY C C 173.844 0.000 1 153 26 27 GLY CA C 45.654 0.044 1 154 26 27 GLY N N 106.780 0.054 1 155 27 28 LYS H H 9.100 0.014 1 156 27 28 LYS HA H 3.604 0.002 1 157 27 28 LYS HB2 H 1.660 0.004 2 158 27 28 LYS HB3 H 2.424 0.003 2 159 27 28 LYS C C 179.426 0.000 1 160 27 28 LYS CA C 61.121 0.041 1 161 27 28 LYS CB C 29.998 0.026 1 162 27 28 LYS N N 123.242 0.059 1 163 28 29 SER H H 9.581 0.011 1 164 28 29 SER HA H 4.322 0.002 1 165 28 29 SER HB2 H 3.689 0.001 2 166 28 29 SER HB3 H 4.211 0.002 2 167 28 29 SER C C 175.596 0.000 1 168 28 29 SER CA C 61.270 0.046 1 169 28 29 SER CB C 61.270 0.033 1 170 28 29 SER N N 120.214 0.045 1 171 29 30 ALA H H 9.358 0.015 1 172 29 30 ALA HA H 4.044 0.004 1 173 29 30 ALA HB H 1.403 0.004 1 174 29 30 ALA C C 182.055 0.000 1 175 29 30 ALA CA C 54.636 0.037 1 176 29 30 ALA CB C 18.901 0.051 1 177 29 30 ALA N N 125.659 0.047 1 178 30 31 LEU H H 8.761 0.009 1 179 30 31 LEU HA H 3.891 0.003 1 180 30 31 LEU HB2 H 1.167 0.005 2 181 30 31 LEU HB3 H 2.130 0.010 2 182 30 31 LEU HD1 H 0.597 0.004 2 183 30 31 LEU HD2 H 0.783 0.004 2 184 30 31 LEU HG H 1.840 0.006 1 185 30 31 LEU C C 177.853 0.000 1 186 30 31 LEU CA C 58.914 0.068 1 187 30 31 LEU CB C 43.623 0.043 1 188 30 31 LEU CD1 C 26.682 0.036 2 189 30 31 LEU CD2 C 24.293 0.040 2 190 30 31 LEU CG C 27.582 0.020 1 191 30 31 LEU N N 119.393 0.054 1 192 31 32 THR H H 7.571 0.016 1 193 31 32 THR HA H 4.132 0.003 1 194 31 32 THR HB H 3.360 0.002 1 195 31 32 THR HG2 H 0.442 0.004 1 196 31 32 THR C C 176.056 0.000 1 197 31 32 THR CA C 68.182 0.078 1 198 31 32 THR CB C 68.539 0.013 1 199 31 32 THR CG2 C 21.621 0.028 1 200 31 32 THR N N 116.523 0.062 1 201 32 33 LEU H H 8.937 0.012 1 202 32 33 LEU HA H 3.655 0.004 1 203 32 33 LEU HB2 H 1.439 0.003 2 204 32 33 LEU HB3 H 1.902 0.003 2 205 32 33 LEU HD1 H 0.666 0.003 2 206 32 33 LEU HD2 H 0.747 0.003 2 207 32 33 LEU HG H 1.615 0.004 1 208 32 33 LEU C C 180.087 0.000 1 209 32 33 LEU CA C 58.342 0.036 1 210 32 33 LEU CB C 40.842 0.053 1 211 32 33 LEU CD1 C 25.111 0.011 2 212 32 33 LEU CD2 C 22.388 0.015 2 213 32 33 LEU CG C 27.420 0.042 1 214 32 33 LEU N N 120.261 0.059 1 215 33 34 GLN H H 7.894 0.014 1 216 33 34 GLN HA H 4.425 0.002 1 217 33 34 GLN HB2 H 2.091 0.003 1 218 33 34 GLN HB3 H 2.091 0.003 1 219 33 34 GLN HE21 H 6.521 0.027 1 220 33 34 GLN HE22 H 7.762 0.024 1 221 33 34 GLN HG2 H 2.305 0.006 2 222 33 34 GLN HG3 H 2.588 0.003 2 223 33 34 GLN C C 178.413 0.000 1 224 33 34 GLN CA C 58.541 0.088 1 225 33 34 GLN CB C 30.160 0.031 1 226 33 34 GLN CD C 178.715 0.014 1 227 33 34 GLN CG C 33.935 0.037 1 228 33 34 GLN N N 120.338 0.052 1 229 33 34 GLN NE2 N 107.449 0.070 1 230 34 35 PHE H H 8.005 0.013 1 231 34 35 PHE HA H 3.813 0.002 1 232 34 35 PHE HB2 H 2.211 0.003 2 233 34 35 PHE HB3 H 2.602 0.002 2 234 34 35 PHE HD1 H 6.496 0.002 3 235 34 35 PHE HD2 H 6.496 0.002 3 236 34 35 PHE HE1 H 6.917 0.006 3 237 34 35 PHE HE2 H 6.917 0.006 3 238 34 35 PHE HZ H 6.648 0.003 1 239 34 35 PHE C C 177.648 0.000 1 240 34 35 PHE CA C 61.452 0.020 1 241 34 35 PHE CB C 39.829 0.022 1 242 34 35 PHE CD1 C 131.731 0.037 3 243 34 35 PHE CD2 C 131.731 0.037 3 244 34 35 PHE CE1 C 130.387 0.020 3 245 34 35 PHE CE2 C 130.387 0.020 3 246 34 35 PHE CZ C 127.568 0.024 1 247 34 35 PHE N N 119.452 0.053 1 248 35 36 MET H H 8.501 0.012 1 249 35 36 MET HA H 3.577 0.004 1 250 35 36 MET HB2 H 0.182 0.003 2 251 35 36 MET HB3 H 1.137 0.005 2 252 35 36 MET HE H 1.729 0.004 1 253 35 36 MET HG2 H 2.004 0.003 1 254 35 36 MET HG3 H 2.004 0.003 1 255 35 36 MET C C 178.401 0.000 1 256 35 36 MET CA C 56.247 0.033 1 257 35 36 MET CB C 30.246 0.061 1 258 35 36 MET CE C 15.615 0.016 1 259 35 36 MET CG C 31.769 0.012 1 260 35 36 MET N N 114.113 0.038 1 261 36 37 TYR H H 7.890 0.014 1 262 36 37 TYR HA H 4.917 0.002 1 263 36 37 TYR HB2 H 2.573 0.002 2 264 36 37 TYR HB3 H 3.397 0.002 2 265 36 37 TYR HD1 H 7.046 0.003 3 266 36 37 TYR HD2 H 7.046 0.003 3 267 36 37 TYR HE1 H 6.748 0.006 3 268 36 37 TYR HE2 H 6.748 0.006 3 269 36 37 TYR C C 175.114 0.000 1 270 36 37 TYR CA C 56.389 0.036 1 271 36 37 TYR CB C 40.251 0.017 1 272 36 37 TYR CD1 C 133.323 0.044 3 273 36 37 TYR CD2 C 133.323 0.044 3 274 36 37 TYR CE1 C 117.886 0.053 3 275 36 37 TYR CE2 C 117.886 0.053 3 276 36 37 TYR N N 115.184 0.058 1 277 37 38 ASP H H 8.204 0.011 1 278 37 38 ASP HA H 4.729 0.002 1 279 37 38 ASP HB2 H 2.799 0.006 2 280 37 38 ASP HB3 H 2.882 0.004 2 281 37 38 ASP C C 175.003 0.000 1 282 37 38 ASP CA C 55.326 0.015 1 283 37 38 ASP CB C 39.381 0.068 1 284 37 38 ASP N N 117.804 0.033 1 285 38 39 GLU H H 6.822 0.013 1 286 38 39 GLU HA H 4.554 0.002 1 287 38 39 GLU HB2 H 1.540 0.008 2 288 38 39 GLU HB3 H 1.740 0.003 2 289 38 39 GLU HG2 H 1.985 0.004 2 290 38 39 GLU HG3 H 2.039 0.003 2 291 38 39 GLU C C 174.668 0.000 1 292 38 39 GLU CA C 54.456 0.029 1 293 38 39 GLU CB C 33.874 0.060 1 294 38 39 GLU CG C 35.412 0.017 1 295 38 39 GLU N N 114.880 0.050 1 296 39 40 PHE H H 8.459 0.012 1 297 39 40 PHE HA H 4.834 0.002 1 298 39 40 PHE HB2 H 2.758 0.002 2 299 39 40 PHE HB3 H 2.946 0.002 2 300 39 40 PHE HD1 H 6.996 0.005 3 301 39 40 PHE HD2 H 6.996 0.005 3 302 39 40 PHE HE1 H 6.435 0.005 3 303 39 40 PHE HE2 H 6.435 0.005 3 304 39 40 PHE HZ H 6.616 0.006 1 305 39 40 PHE C C 174.377 0.000 1 306 39 40 PHE CA C 56.264 0.028 1 307 39 40 PHE CB C 40.376 0.018 1 308 39 40 PHE CD1 C 131.986 0.045 3 309 39 40 PHE CD2 C 131.986 0.045 3 310 39 40 PHE CE1 C 129.890 0.020 3 311 39 40 PHE CE2 C 129.890 0.020 3 312 39 40 PHE CZ C 129.898 0.016 1 313 39 40 PHE N N 121.882 0.046 1 314 40 41 VAL H H 7.819 0.011 1 315 40 41 VAL HA H 3.805 0.002 1 316 40 41 VAL HB H 1.686 0.002 1 317 40 41 VAL HG1 H 0.682 0.003 2 318 40 41 VAL HG2 H 0.682 0.003 2 319 40 41 VAL C C 174.199 0.000 1 320 40 41 VAL CA C 61.084 0.029 1 321 40 41 VAL CB C 32.964 0.026 1 322 40 41 VAL CG1 C 20.550 0.030 1 323 40 41 VAL CG2 C 20.550 0.030 1 324 40 41 VAL N N 128.081 0.050 1 325 41 42 GLU H H 7.953 0.011 1 326 41 42 GLU HA H 3.676 0.003 1 327 41 42 GLU HB2 H 1.735 0.003 1 328 41 42 GLU HB3 H 1.735 0.003 1 329 41 42 GLU HG2 H 2.061 0.002 2 330 41 42 GLU HG3 H 2.061 0.002 2 331 41 42 GLU C C 176.773 0.000 1 332 41 42 GLU CA C 57.473 0.019 1 333 41 42 GLU CB C 30.565 0.023 1 334 41 42 GLU CG C 36.623 0.017 1 335 41 42 GLU N N 124.238 0.027 1 336 42 43 ASP H H 7.779 0.012 1 337 42 43 ASP HA H 4.488 0.003 1 338 42 43 ASP HB2 H 2.478 0.001 2 339 42 43 ASP HB3 H 2.602 0.000 2 340 42 43 ASP CA C 54.105 0.019 1 341 42 43 ASP CB C 41.056 0.005 1 342 42 43 ASP N N 118.776 0.066 1 343 43 44 TYR H H 7.963 0.007 1 344 43 44 TYR HB2 H 2.809 0.000 1 345 43 44 TYR HB3 H 2.809 0.000 1 346 43 44 TYR HD1 H 7.012 0.002 3 347 43 44 TYR HD2 H 7.012 0.002 3 348 43 44 TYR HE1 H 6.764 0.000 3 349 43 44 TYR HE2 H 6.764 0.000 3 350 43 44 TYR CD1 C 132.888 0.026 3 351 43 44 TYR CD2 C 132.888 0.026 3 352 43 44 TYR CE1 C 117.710 0.030 3 353 43 44 TYR CE2 C 117.710 0.030 3 354 43 44 TYR N N 120.380 0.039 1 355 44 45 GLU HA H 4.547 0.002 1 356 44 45 GLU HB2 H 1.692 0.000 2 357 44 45 GLU HB3 H 1.763 0.001 2 358 44 45 GLU HG2 H 2.064 0.002 1 359 44 45 GLU HG3 H 2.064 0.002 1 360 44 45 GLU CA C 53.401 0.003 1 361 44 45 GLU CB C 28.453 0.033 1 362 44 45 GLU CG C 35.699 0.008 1 363 45 46 PRO HA H 4.468 0.003 1 364 45 46 PRO HB2 H 1.860 0.001 2 365 45 46 PRO HB3 H 2.297 0.004 2 366 45 46 PRO HD2 H 3.303 0.003 2 367 45 46 PRO HD3 H 3.427 0.002 2 368 45 46 PRO HG2 H 1.753 0.003 2 369 45 46 PRO HG3 H 1.905 0.004 2 370 45 46 PRO CA C 63.397 0.017 1 371 45 46 PRO CB C 32.304 0.007 1 372 45 46 PRO CD C 50.709 0.005 1 373 45 46 PRO CG C 27.139 0.028 1 374 46 47 THR H H 8.221 0.021 1 375 46 47 THR HA H 4.379 0.001 1 376 46 47 THR HB H 4.185 0.001 1 377 46 47 THR HG2 H 0.982 0.002 1 378 46 47 THR CA C 61.054 0.009 1 379 46 47 THR CB C 71.768 0.006 1 380 46 47 THR CG2 C 21.717 0.006 1 381 46 47 THR N N 120.488 0.044 1 382 48 49 ALA HA H 4.447 0.001 1 383 48 49 ALA HB H 1.175 0.002 1 384 48 49 ALA C C 176.018 0.000 1 385 48 49 ALA CA C 52.555 0.013 1 386 48 49 ALA CB C 19.905 0.005 1 387 49 50 ASP H H 8.198 0.017 1 388 49 50 ASP CA C 53.621 0.000 1 389 49 50 ASP N N 120.180 0.022 1 390 50 51 SER H H 7.908 0.012 1 391 50 51 SER HA H 5.236 0.005 1 392 50 51 SER HB2 H 3.591 0.003 1 393 50 51 SER HB3 H 3.591 0.003 1 394 50 51 SER C C 173.332 0.000 1 395 50 51 SER CA C 57.197 0.022 1 396 50 51 SER CB C 65.096 0.017 1 397 50 51 SER N N 113.725 0.016 1 398 51 52 TYR H H 8.902 0.014 1 399 51 52 TYR HA H 4.576 0.003 1 400 51 52 TYR HB2 H 2.643 0.003 2 401 51 52 TYR HB3 H 3.051 0.002 2 402 51 52 TYR HD1 H 7.061 0.007 3 403 51 52 TYR HD2 H 7.061 0.007 3 404 51 52 TYR HE1 H 6.815 0.012 3 405 51 52 TYR HE2 H 6.815 0.012 3 406 51 52 TYR C C 173.933 0.000 1 407 51 52 TYR CA C 57.215 0.030 1 408 51 52 TYR CB C 42.141 0.032 1 409 51 52 TYR CD1 C 133.323 0.050 3 410 51 52 TYR CD2 C 133.323 0.050 3 411 51 52 TYR CE1 C 117.894 0.044 3 412 51 52 TYR CE2 C 117.894 0.044 3 413 51 52 TYR N N 122.352 0.038 1 414 52 53 ARG H H 8.479 0.011 1 415 52 53 ARG HA H 5.724 0.003 1 416 52 53 ARG HB2 H 1.611 0.003 2 417 52 53 ARG HB3 H 1.753 0.004 2 418 52 53 ARG HD2 H 2.918 0.004 2 419 52 53 ARG HD3 H 2.978 0.003 2 420 52 53 ARG HG2 H 1.409 0.005 2 421 52 53 ARG HG3 H 1.472 0.004 2 422 52 53 ARG C C 175.108 0.000 1 423 52 53 ARG CA C 54.487 0.056 1 424 52 53 ARG CB C 33.931 0.028 1 425 52 53 ARG CD C 42.960 0.012 1 426 52 53 ARG CG C 26.915 0.030 1 427 52 53 ARG N N 121.154 0.047 1 428 53 54 LYS H H 8.634 0.012 1 429 53 54 LYS HA H 4.555 0.004 1 430 53 54 LYS HB2 H 1.598 0.004 2 431 53 54 LYS HB3 H 1.676 0.004 2 432 53 54 LYS HD2 H 1.027 0.004 2 433 53 54 LYS HD3 H 1.322 0.002 2 434 53 54 LYS HE2 H 2.445 0.002 2 435 53 54 LYS HE3 H 2.618 0.002 2 436 53 54 LYS HG2 H 1.181 0.002 2 437 53 54 LYS HG3 H 1.181 0.002 2 438 53 54 LYS C C 173.880 0.000 1 439 53 54 LYS CA C 55.331 0.013 1 440 53 54 LYS CB C 37.818 0.019 1 441 53 54 LYS CD C 30.343 0.023 1 442 53 54 LYS CE C 42.049 0.029 1 443 53 54 LYS CG C 24.531 0.015 1 444 53 54 LYS N N 124.264 0.033 1 445 54 55 LYS H H 8.398 0.013 1 446 54 55 LYS HA H 4.981 0.003 1 447 54 55 LYS HB2 H 1.610 0.010 2 448 54 55 LYS HB3 H 1.684 0.012 2 449 54 55 LYS HD2 H 1.537 0.004 2 450 54 55 LYS HD3 H 1.537 0.004 2 451 54 55 LYS HE2 H 2.785 0.003 1 452 54 55 LYS HE3 H 2.785 0.003 1 453 54 55 LYS HG2 H 1.169 0.004 2 454 54 55 LYS HG3 H 1.372 0.002 2 455 54 55 LYS C C 176.019 0.000 1 456 54 55 LYS CA C 55.948 0.015 1 457 54 55 LYS CB C 33.043 0.015 1 458 54 55 LYS CD C 29.350 0.042 1 459 54 55 LYS CE C 41.452 0.018 1 460 54 55 LYS CG C 25.197 0.029 1 461 54 55 LYS N N 124.089 0.059 1 462 55 56 VAL H H 8.995 0.014 1 463 55 56 VAL HA H 4.608 0.003 1 464 55 56 VAL HB H 2.123 0.003 1 465 55 56 VAL HG1 H 0.582 0.002 2 466 55 56 VAL HG2 H 0.757 0.002 2 467 55 56 VAL C C 173.330 0.000 1 468 55 56 VAL CA C 59.046 0.046 1 469 55 56 VAL CB C 36.146 0.030 1 470 55 56 VAL CG1 C 19.609 0.020 2 471 55 56 VAL CG2 C 22.328 0.034 2 472 55 56 VAL N N 118.955 0.048 1 473 56 57 VAL H H 8.312 0.011 1 474 56 57 VAL HA H 4.385 0.002 1 475 56 57 VAL HB H 1.845 0.008 1 476 56 57 VAL HG1 H 0.621 0.004 2 477 56 57 VAL HG2 H 0.795 0.001 2 478 56 57 VAL C C 174.660 0.000 1 479 56 57 VAL CA C 62.145 0.056 1 480 56 57 VAL CB C 31.499 0.023 1 481 56 57 VAL CG1 C 21.239 0.016 2 482 56 57 VAL CG2 C 21.240 0.013 2 483 56 57 VAL N N 121.116 0.032 1 484 57 58 LEU H H 9.109 0.019 1 485 57 58 LEU HA H 4.552 0.003 1 486 57 58 LEU HB2 H 0.804 0.003 2 487 57 58 LEU HB3 H 1.935 0.006 2 488 57 58 LEU HD1 H 0.801 0.005 2 489 57 58 LEU HD2 H 0.801 0.006 2 490 57 58 LEU HG H 1.242 0.018 1 491 57 58 LEU C C 175.524 0.000 1 492 57 58 LEU CA C 52.882 0.024 1 493 57 58 LEU CB C 44.728 0.039 1 494 57 58 LEU CD1 C 23.906 0.037 1 495 57 58 LEU CD2 C 23.906 0.037 1 496 57 58 LEU CG C 27.521 0.123 1 497 57 58 LEU N N 129.708 0.047 1 498 58 59 ASP H H 9.603 0.012 1 499 58 59 ASP HA H 4.194 0.002 1 500 58 59 ASP HB2 H 2.629 0.006 2 501 58 59 ASP HB3 H 2.757 0.004 2 502 58 59 ASP C C 176.142 0.000 1 503 58 59 ASP CA C 55.568 0.028 1 504 58 59 ASP CB C 39.906 0.041 1 505 58 59 ASP N N 129.489 0.043 1 506 59 60 GLY H H 7.985 0.010 1 507 59 60 GLY HA2 H 3.385 0.002 2 508 59 60 GLY HA3 H 4.125 0.001 2 509 59 60 GLY C C 173.243 0.000 1 510 59 60 GLY CA C 45.200 0.019 1 511 59 60 GLY N N 102.177 0.049 1 512 60 61 GLU H H 7.564 0.011 1 513 60 61 GLU HA H 4.555 0.002 1 514 60 61 GLU HB2 H 1.786 0.002 2 515 60 61 GLU HB3 H 1.967 0.002 2 516 60 61 GLU HG2 H 2.059 0.002 2 517 60 61 GLU HG3 H 2.181 0.002 2 518 60 61 GLU C C 174.611 0.000 1 519 60 61 GLU CA C 54.159 0.019 1 520 60 61 GLU CB C 32.428 0.014 1 521 60 61 GLU CG C 36.016 0.019 1 522 60 61 GLU N N 120.531 0.059 1 523 61 62 GLU H H 8.760 0.010 1 524 61 62 GLU HA H 4.619 0.002 1 525 61 62 GLU HB2 H 1.868 0.003 2 526 61 62 GLU HB3 H 1.868 0.003 2 527 61 62 GLU HG2 H 1.944 0.007 2 528 61 62 GLU HG3 H 2.151 0.003 2 529 61 62 GLU C C 175.577 0.000 1 530 61 62 GLU CA C 57.136 0.023 1 531 61 62 GLU CB C 30.272 0.020 1 532 61 62 GLU CG C 37.508 0.021 1 533 61 62 GLU N N 125.376 0.036 1 534 62 63 VAL H H 9.065 0.014 1 535 62 63 VAL HA H 4.633 0.006 1 536 62 63 VAL HB H 1.827 0.005 1 537 62 63 VAL HG1 H 0.685 0.004 2 538 62 63 VAL HG2 H 0.867 0.006 2 539 62 63 VAL C C 173.441 0.000 1 540 62 63 VAL CA C 59.272 0.027 1 541 62 63 VAL CB C 35.855 0.021 1 542 62 63 VAL CG1 C 20.441 0.015 2 543 62 63 VAL CG2 C 22.056 0.042 2 544 62 63 VAL N N 121.404 0.063 1 545 63 64 GLN H H 8.232 0.016 1 546 63 64 GLN HA H 5.254 0.003 1 547 63 64 GLN HB2 H 1.730 0.006 2 548 63 64 GLN HB3 H 1.837 0.003 2 549 63 64 GLN HE21 H 6.800 0.018 1 550 63 64 GLN HE22 H 7.396 0.024 1 551 63 64 GLN HG2 H 1.886 0.005 2 552 63 64 GLN HG3 H 2.252 0.004 2 553 63 64 GLN C C 173.768 0.000 1 554 63 64 GLN CA C 54.428 0.025 1 555 63 64 GLN CB C 33.292 0.021 1 556 63 64 GLN CD C 179.718 0.042 1 557 63 64 GLN CG C 35.409 0.034 1 558 63 64 GLN N N 117.531 0.072 1 559 63 64 GLN NE2 N 110.932 0.088 1 560 64 65 ILE H H 8.936 0.011 1 561 64 65 ILE HA H 5.108 0.006 1 562 64 65 ILE HB H 1.993 0.005 1 563 64 65 ILE HD1 H 0.724 0.002 1 564 64 65 ILE HG12 H 1.007 0.003 2 565 64 65 ILE HG13 H 1.560 0.002 2 566 64 65 ILE HG2 H 0.974 0.003 1 567 64 65 ILE C C 171.756 0.000 1 568 64 65 ILE CA C 57.797 0.045 1 569 64 65 ILE CB C 40.592 0.030 1 570 64 65 ILE CD1 C 13.951 0.052 1 571 64 65 ILE CG1 C 29.223 0.030 1 572 64 65 ILE CG2 C 15.529 0.016 1 573 64 65 ILE N N 121.694 0.059 1 574 65 66 ASP H H 8.581 0.013 1 575 65 66 ASP HA H 5.558 0.003 1 576 65 66 ASP HB2 H 2.079 0.004 2 577 65 66 ASP HB3 H 2.592 0.004 2 578 65 66 ASP C C 174.454 0.000 1 579 65 66 ASP CA C 52.198 0.026 1 580 65 66 ASP CB C 45.346 0.022 1 581 65 66 ASP N N 128.808 0.051 1 582 66 67 ILE H H 9.517 0.009 1 583 66 67 ILE HA H 4.681 0.020 1 584 66 67 ILE HB H 1.607 0.004 1 585 66 67 ILE HD1 H 0.478 0.004 1 586 66 67 ILE HG2 H 0.829 0.007 1 587 66 67 ILE C C 174.821 0.000 1 588 66 67 ILE CA C 60.217 0.047 1 589 66 67 ILE CB C 41.773 0.018 1 590 66 67 ILE CD1 C 15.751 0.037 1 591 66 67 ILE CG2 C 18.899 0.069 1 592 66 67 ILE N N 124.703 0.059 1 593 67 68 LEU H H 8.720 0.016 1 594 67 68 LEU HA H 4.786 0.004 1 595 67 68 LEU HB2 H 1.408 0.002 2 596 67 68 LEU HB3 H 1.856 0.002 2 597 67 68 LEU HD1 H 0.484 0.003 2 598 67 68 LEU HD2 H 0.577 0.002 2 599 67 68 LEU HG H 1.204 0.004 1 600 67 68 LEU C C 174.544 0.000 1 601 67 68 LEU CA C 54.166 0.015 1 602 67 68 LEU CB C 42.607 0.037 1 603 67 68 LEU CD1 C 25.455 0.020 2 604 67 68 LEU CD2 C 23.346 0.009 2 605 67 68 LEU CG C 27.546 0.014 1 606 67 68 LEU N N 129.002 0.055 1 607 68 69 ASP H H 8.971 0.017 1 608 68 69 ASP N N 128.375 0.008 1 609 69 70 THR HA H 4.180 0.004 1 610 69 70 THR HB H 4.090 0.002 1 611 69 70 THR HG2 H 1.069 0.002 1 612 69 70 THR CA C 62.327 0.059 1 613 69 70 THR CB C 69.872 0.007 1 614 69 70 THR CG2 C 21.591 0.006 1 615 70 71 ALA HA H 4.565 0.002 1 616 70 71 ALA HB H 1.494 0.001 1 617 70 71 ALA CA C 52.245 0.019 1 618 70 71 ALA CB C 21.224 0.019 1 619 71 72 GLY H H 9.233 0.015 1 620 71 72 GLY HA2 H 3.757 0.003 2 621 71 72 GLY HA3 H 4.194 0.003 2 622 71 72 GLY C C 175.223 0.000 1 623 71 72 GLY CA C 46.638 0.042 1 624 71 72 GLY N N 110.983 0.051 1 625 72 73 LEU H H 7.998 0.016 1 626 72 73 LEU HA H 4.324 0.003 1 627 72 73 LEU HB2 H 1.529 0.003 2 628 72 73 LEU HB3 H 1.630 0.002 2 629 72 73 LEU HD1 H 0.834 0.002 2 630 72 73 LEU HD2 H 0.847 0.003 2 631 72 73 LEU HG H 1.605 0.001 1 632 72 73 LEU C C 177.492 0.000 1 633 72 73 LEU CA C 55.350 0.026 1 634 72 73 LEU CB C 42.301 0.032 1 635 72 73 LEU CD1 C 23.545 0.015 2 636 72 73 LEU CD2 C 25.192 0.047 2 637 72 73 LEU CG C 27.043 0.001 1 638 72 73 LEU N N 120.185 0.042 1 639 73 74 GLU H H 8.598 0.019 1 640 73 74 GLU CA C 57.590 0.035 1 641 73 74 GLU N N 120.502 0.062 1 642 74 75 ASP HA H 4.438 0.001 1 643 74 75 ASP HB2 H 2.304 0.001 2 644 74 75 ASP HB3 H 2.409 0.001 2 645 74 75 ASP C C 176.117 0.000 1 646 74 75 ASP CA C 54.872 0.007 1 647 74 75 ASP CB C 41.064 0.006 1 648 75 76 TYR H H 7.933 0.011 1 649 75 76 TYR HA H 4.562 0.001 1 650 75 76 TYR HB2 H 2.813 0.002 2 651 75 76 TYR HB3 H 3.071 0.003 2 652 75 76 TYR HD1 H 7.061 0.003 3 653 75 76 TYR HD2 H 7.061 0.003 3 654 75 76 TYR HE1 H 6.746 0.003 3 655 75 76 TYR HE2 H 6.746 0.003 3 656 75 76 TYR C C 175.906 0.000 1 657 75 76 TYR CA C 57.172 0.039 1 658 75 76 TYR CB C 38.339 0.018 1 659 75 76 TYR CD1 C 132.986 0.039 3 660 75 76 TYR CD2 C 132.986 0.039 3 661 75 76 TYR CE1 C 118.208 0.039 3 662 75 76 TYR CE2 C 118.208 0.039 3 663 75 76 TYR N N 119.410 0.048 1 664 76 77 ALA H H 8.207 0.006 1 665 76 77 ALA HA H 3.812 0.001 1 666 76 77 ALA HB H 1.346 0.003 1 667 76 77 ALA C C 178.471 0.000 1 668 76 77 ALA CA C 55.174 0.009 1 669 76 77 ALA CB C 18.635 0.007 1 670 76 77 ALA N N 124.855 0.022 1 671 77 78 ALA H H 8.106 0.011 1 672 77 78 ALA HA H 4.021 0.004 1 673 77 78 ALA HB H 1.321 0.004 1 674 77 78 ALA C C 179.643 0.000 1 675 77 78 ALA CA C 54.501 0.052 1 676 77 78 ALA CB C 18.480 0.027 1 677 77 78 ALA N N 117.995 0.057 1 678 78 79 ILE H H 7.225 0.012 1 679 78 79 ILE HA H 3.732 0.003 1 680 78 79 ILE HB H 1.790 0.002 1 681 78 79 ILE HD1 H 0.736 0.002 1 682 78 79 ILE HG12 H 1.080 0.002 2 683 78 79 ILE HG13 H 1.385 0.002 2 684 78 79 ILE HG2 H 0.708 0.004 1 685 78 79 ILE C C 177.242 0.000 1 686 78 79 ILE CA C 62.904 0.022 1 687 78 79 ILE CB C 37.880 0.011 1 688 78 79 ILE CD1 C 12.821 0.019 1 689 78 79 ILE CG1 C 28.215 0.011 1 690 78 79 ILE CG2 C 17.643 0.026 1 691 78 79 ILE N N 116.858 0.041 1 692 79 80 ARG H H 7.694 0.022 1 693 79 80 ARG HA H 3.442 0.003 1 694 79 80 ARG HB2 H 1.488 0.003 2 695 79 80 ARG HB3 H 1.488 0.003 2 696 79 80 ARG HD2 H 3.143 0.005 1 697 79 80 ARG HD3 H 3.143 0.005 1 698 79 80 ARG HG2 H 0.939 0.012 2 699 79 80 ARG HG3 H 1.367 0.017 2 700 79 80 ARG C C 176.972 0.000 1 701 79 80 ARG CA C 58.679 0.009 1 702 79 80 ARG CB C 29.714 0.026 1 703 79 80 ARG CD C 43.637 0.022 1 704 79 80 ARG CG C 26.969 0.009 1 705 79 80 ARG N N 120.585 0.039 1 706 80 81 ASP H H 8.114 0.010 1 707 80 81 ASP HA H 4.096 0.005 1 708 80 81 ASP HB2 H 2.489 0.004 2 709 80 81 ASP HB3 H 2.559 0.005 2 710 80 81 ASP C C 177.950 0.000 1 711 80 81 ASP CA C 57.463 0.049 1 712 80 81 ASP CB C 39.888 0.036 1 713 80 81 ASP N N 117.616 0.050 1 714 81 82 ASN H H 7.524 0.009 1 715 81 82 ASN HA H 4.394 0.004 1 716 81 82 ASN HB2 H 2.660 0.008 2 717 81 82 ASN HB3 H 2.696 0.003 2 718 81 82 ASN HD21 H 6.837 0.041 1 719 81 82 ASN HD22 H 7.428 0.018 1 720 81 82 ASN C C 178.237 0.000 1 721 81 82 ASN CA C 55.952 0.029 1 722 81 82 ASN CB C 38.177 0.022 1 723 81 82 ASN CG C 176.117 0.009 1 724 81 82 ASN N N 116.048 0.031 1 725 81 82 ASN ND2 N 112.515 0.051 1 726 82 83 TYR H H 7.780 0.011 1 727 82 83 TYR HA H 4.544 0.002 1 728 82 83 TYR HB2 H 2.924 0.002 2 729 82 83 TYR HB3 H 3.107 0.002 2 730 82 83 TYR HD1 H 6.917 0.004 3 731 82 83 TYR HD2 H 6.917 0.004 3 732 82 83 TYR HE1 H 6.708 0.001 3 733 82 83 TYR HE2 H 6.708 0.001 3 734 82 83 TYR C C 179.050 0.000 1 735 82 83 TYR CA C 58.960 0.018 1 736 82 83 TYR CB C 37.236 0.010 1 737 82 83 TYR CD1 C 132.382 0.039 3 738 82 83 TYR CD2 C 132.382 0.039 3 739 82 83 TYR CE1 C 118.177 0.022 3 740 82 83 TYR CE2 C 118.177 0.022 3 741 82 83 TYR N N 119.141 0.068 1 742 83 84 PHE H H 8.585 0.017 1 743 83 84 PHE HA H 4.777 0.006 1 744 83 84 PHE HB2 H 3.010 0.004 2 745 83 84 PHE HB3 H 3.447 0.002 2 746 83 84 PHE HD1 H 6.998 0.003 3 747 83 84 PHE HD2 H 6.998 0.003 3 748 83 84 PHE HE1 H 7.288 0.002 3 749 83 84 PHE HE2 H 7.288 0.002 3 750 83 84 PHE HZ H 7.162 0.003 1 751 83 84 PHE C C 178.083 0.000 1 752 83 84 PHE CA C 57.871 0.053 1 753 83 84 PHE CB C 37.180 0.032 1 754 83 84 PHE CD1 C 129.574 0.017 3 755 83 84 PHE CD2 C 129.574 0.017 3 756 83 84 PHE CE1 C 131.363 0.027 3 757 83 84 PHE CE2 C 131.363 0.027 3 758 83 84 PHE CZ C 129.222 0.012 1 759 83 84 PHE N N 118.388 0.035 1 760 84 85 ARG H H 8.326 0.010 1 761 84 85 ARG HA H 3.846 0.002 1 762 84 85 ARG HB2 H 1.935 0.003 2 763 84 85 ARG HB3 H 1.935 0.003 2 764 84 85 ARG HD2 H 3.209 0.001 2 765 84 85 ARG HD3 H 3.264 0.003 2 766 84 85 ARG HG2 H 1.663 0.001 2 767 84 85 ARG HG3 H 1.803 0.001 2 768 84 85 ARG C C 177.694 0.000 1 769 84 85 ARG CA C 60.181 0.013 1 770 84 85 ARG CB C 30.318 0.030 1 771 84 85 ARG CD C 43.263 0.009 1 772 84 85 ARG CG C 29.030 0.015 1 773 84 85 ARG N N 117.861 0.044 1 774 85 86 SER H H 7.525 0.010 1 775 85 86 SER HA H 4.367 0.005 1 776 85 86 SER HB2 H 3.929 0.007 1 777 85 86 SER HB3 H 3.929 0.007 1 778 85 86 SER C C 175.159 0.000 1 779 85 86 SER CA C 59.589 0.037 1 780 85 86 SER CB C 64.092 0.024 1 781 85 86 SER N N 110.977 0.046 1 782 86 87 GLY H H 7.714 0.013 1 783 86 87 GLY HA2 H 3.151 0.004 2 784 86 87 GLY HA3 H 3.576 0.004 2 785 86 87 GLY C C 172.010 0.000 1 786 86 87 GLY CA C 45.816 0.036 1 787 86 87 GLY N N 107.324 0.050 1 788 87 88 GLU H H 7.904 0.011 1 789 87 88 GLU HA H 4.494 0.002 1 790 87 88 GLU HB2 H 1.945 0.003 1 791 87 88 GLU HB3 H 1.945 0.003 1 792 87 88 GLU HG2 H 2.401 0.001 1 793 87 88 GLU HG3 H 2.401 0.001 1 794 87 88 GLU C C 176.475 0.000 1 795 87 88 GLU CA C 55.904 0.034 1 796 87 88 GLU CB C 30.940 0.023 1 797 87 88 GLU CG C 36.318 0.004 1 798 87 88 GLU N N 118.164 0.044 1 799 88 89 GLY H H 7.468 0.013 1 800 88 89 GLY HA2 H 3.120 0.006 2 801 88 89 GLY HA3 H 4.921 0.004 2 802 88 89 GLY C C 170.601 0.000 1 803 88 89 GLY CA C 45.307 0.018 1 804 88 89 GLY N N 102.591 0.042 1 805 89 90 PHE H H 8.085 0.009 1 806 89 90 PHE HA H 5.081 0.002 1 807 89 90 PHE HB2 H 2.491 0.003 2 808 89 90 PHE HB3 H 2.676 0.003 2 809 89 90 PHE HD1 H 6.899 0.006 3 810 89 90 PHE HD2 H 6.899 0.006 3 811 89 90 PHE HE1 H 6.839 0.010 3 812 89 90 PHE HE2 H 6.839 0.010 3 813 89 90 PHE HZ H 7.448 0.002 1 814 89 90 PHE C C 173.811 0.000 1 815 89 90 PHE CA C 57.223 0.021 1 816 89 90 PHE CB C 42.461 0.037 1 817 89 90 PHE CD1 C 132.161 0.027 3 818 89 90 PHE CD2 C 132.161 0.027 3 819 89 90 PHE CE1 C 130.451 0.038 3 820 89 90 PHE CE2 C 130.451 0.038 3 821 89 90 PHE CZ C 129.271 0.006 1 822 89 90 PHE N N 119.065 0.040 1 823 90 91 LEU H H 8.218 0.015 1 824 90 91 LEU HA H 4.779 0.005 1 825 90 91 LEU HB2 H 0.796 0.005 2 826 90 91 LEU HB3 H 1.785 0.007 2 827 90 91 LEU HD1 H -0.181 0.004 2 828 90 91 LEU HD2 H 0.429 0.004 2 829 90 91 LEU HG H 1.109 0.005 1 830 90 91 LEU C C 173.769 0.000 1 831 90 91 LEU CA C 53.539 0.025 1 832 90 91 LEU CB C 41.479 0.031 1 833 90 91 LEU CD1 C 25.798 0.018 2 834 90 91 LEU CD2 C 26.031 0.048 2 835 90 91 LEU CG C 25.939 0.022 1 836 90 91 LEU N N 122.922 0.062 1 837 91 92 LEU H H 8.524 0.018 1 838 91 92 LEU HA H 4.752 0.002 1 839 91 92 LEU HB2 H 1.406 0.004 2 840 91 92 LEU HB3 H 1.856 0.003 2 841 91 92 LEU HD1 H 0.738 0.001 1 842 91 92 LEU HD2 H 0.738 0.001 1 843 91 92 LEU HG H 1.605 0.008 1 844 91 92 LEU C C 173.780 0.000 1 845 91 92 LEU CA C 53.275 0.024 1 846 91 92 LEU CB C 42.336 0.019 1 847 91 92 LEU CD1 C 25.518 0.037 2 848 91 92 LEU CD2 C 25.518 0.037 2 849 91 92 LEU CG C 27.555 0.088 1 850 91 92 LEU N N 126.667 0.053 1 851 92 93 VAL H H 9.202 0.014 1 852 92 93 VAL HA H 5.000 0.005 1 853 92 93 VAL HB H 1.696 0.005 1 854 92 93 VAL HG1 H 0.560 0.003 2 855 92 93 VAL HG2 H 0.696 0.003 2 856 92 93 VAL C C 175.298 0.000 1 857 92 93 VAL CA C 60.820 0.059 1 858 92 93 VAL CB C 33.289 0.032 1 859 92 93 VAL CG1 C 22.563 0.054 2 860 92 93 VAL CG2 C 21.546 0.063 2 861 92 93 VAL N N 125.248 0.052 1 862 93 94 PHE H H 9.348 0.011 1 863 93 94 PHE HA H 4.898 0.002 1 864 93 94 PHE HB2 H 2.875 0.005 2 865 93 94 PHE HB3 H 3.536 0.005 2 866 93 94 PHE HD1 H 7.230 0.005 3 867 93 94 PHE HD2 H 7.230 0.005 3 868 93 94 PHE HE1 H 7.404 0.006 3 869 93 94 PHE HE2 H 7.404 0.006 3 870 93 94 PHE C C 172.061 0.000 1 871 93 94 PHE CA C 55.308 0.033 1 872 93 94 PHE CB C 40.548 0.110 1 873 93 94 PHE CD1 C 132.691 0.039 3 874 93 94 PHE CD2 C 132.691 0.039 3 875 93 94 PHE CE1 C 132.077 0.020 3 876 93 94 PHE CE2 C 132.077 0.020 3 877 93 94 PHE N N 123.092 0.048 1 878 94 95 SER H H 8.866 0.016 1 879 94 95 SER HA H 4.864 0.007 1 880 94 95 SER HB2 H 3.539 0.003 2 881 94 95 SER HB3 H 3.782 0.004 2 882 94 95 SER C C 177.499 0.000 1 883 94 95 SER CA C 54.273 0.021 1 884 94 95 SER CB C 64.992 0.050 1 885 94 95 SER N N 112.058 0.061 1 886 95 96 ILE H H 8.836 0.013 1 887 95 96 ILE HA H 4.112 0.004 1 888 95 96 ILE HB H 2.022 0.004 1 889 95 96 ILE HD1 H 0.488 0.003 1 890 95 96 ILE HG12 H 0.841 0.026 2 891 95 96 ILE HG13 H 1.061 0.001 2 892 95 96 ILE HG2 H 0.784 0.006 1 893 95 96 ILE C C 176.817 0.000 1 894 95 96 ILE CA C 64.484 0.088 1 895 95 96 ILE CB C 38.407 0.018 1 896 95 96 ILE CD1 C 15.540 0.018 1 897 95 96 ILE CG1 C 26.535 0.060 1 898 95 96 ILE CG2 C 18.510 0.041 1 899 95 96 ILE N N 121.506 0.047 1 900 96 97 THR H H 8.217 0.010 1 901 96 97 THR HA H 4.485 0.005 1 902 96 97 THR HB H 4.519 0.005 1 903 96 97 THR HG2 H 0.986 0.001 1 904 96 97 THR C C 173.629 0.000 1 905 96 97 THR CA C 61.718 0.065 1 906 96 97 THR CB C 68.653 0.052 1 907 96 97 THR CG2 C 24.306 0.026 1 908 96 97 THR N N 110.936 0.054 1 909 97 98 GLU H H 7.738 0.011 1 910 97 98 GLU HA H 4.916 0.003 1 911 97 98 GLU HB2 H 1.799 0.007 2 912 97 98 GLU HB3 H 2.168 0.003 2 913 97 98 GLU HG2 H 2.179 0.003 2 914 97 98 GLU HG3 H 2.355 0.008 2 915 97 98 GLU C C 176.803 0.000 1 916 97 98 GLU CA C 54.341 0.020 1 917 97 98 GLU CB C 32.256 0.048 1 918 97 98 GLU CG C 36.482 0.074 1 919 97 98 GLU N N 120.911 0.067 1 920 98 99 HIS H H 9.917 0.010 1 921 98 99 HIS HA H 3.986 0.003 1 922 98 99 HIS HB2 H 3.183 0.013 2 923 98 99 HIS HB3 H 3.223 0.015 2 924 98 99 HIS HD2 H 7.220 0.002 1 925 98 99 HIS HE1 H 7.902 0.001 1 926 98 99 HIS C C 177.533 0.000 1 927 98 99 HIS CA C 62.207 0.033 1 928 98 99 HIS CB C 29.717 0.055 1 929 98 99 HIS CD2 C 119.309 0.032 1 930 98 99 HIS CE1 C 137.622 0.021 1 931 98 99 HIS N N 131.828 0.026 1 932 99 100 GLU H H 9.770 0.024 1 933 99 100 GLU HA H 4.267 0.003 1 934 99 100 GLU HB2 H 2.053 0.004 1 935 99 100 GLU HB3 H 2.053 0.004 1 936 99 100 GLU HG2 H 2.414 0.003 1 937 99 100 GLU HG3 H 2.414 0.003 1 938 99 100 GLU C C 178.777 0.000 1 939 99 100 GLU CA C 59.848 0.036 1 940 99 100 GLU CB C 29.065 0.014 1 941 99 100 GLU CG C 36.924 0.015 1 942 99 100 GLU N N 118.015 0.051 1 943 100 101 SER H H 7.650 0.010 1 944 100 101 SER HA H 4.523 0.003 1 945 100 101 SER HB2 H 4.286 0.004 2 946 100 101 SER HB3 H 4.357 0.005 2 947 100 101 SER HG H 6.220 0.010 1 948 100 101 SER C C 176.325 0.000 1 949 100 101 SER CA C 61.139 0.038 1 950 100 101 SER CB C 63.448 0.016 1 951 100 101 SER N N 115.255 0.044 1 952 101 102 PHE H H 7.366 0.012 1 953 101 102 PHE HA H 3.878 0.003 1 954 101 102 PHE HB2 H 2.407 0.003 2 955 101 102 PHE HB3 H 2.806 0.004 2 956 101 102 PHE HD1 H 5.683 0.005 3 957 101 102 PHE HD2 H 5.683 0.005 3 958 101 102 PHE HE1 H 6.726 0.005 3 959 101 102 PHE HE2 H 6.726 0.005 3 960 101 102 PHE HZ H 6.559 0.003 1 961 101 102 PHE C C 178.785 0.000 1 962 101 102 PHE CA C 59.695 0.039 1 963 101 102 PHE CB C 39.183 0.024 1 964 101 102 PHE CD1 C 131.573 0.021 3 965 101 102 PHE CD2 C 131.573 0.021 3 966 101 102 PHE CE1 C 130.117 0.038 3 967 101 102 PHE CE2 C 130.117 0.038 3 968 101 102 PHE CZ C 128.460 0.021 1 969 101 102 PHE N N 125.646 0.050 1 970 102 103 THR H H 8.347 0.014 1 971 102 103 THR HA H 3.480 0.004 1 972 102 103 THR HB H 4.158 0.005 1 973 102 103 THR HG2 H 1.130 0.002 1 974 102 103 THR C C 177.748 0.000 1 975 102 103 THR CA C 65.871 0.025 1 976 102 103 THR CB C 67.718 0.068 1 977 102 103 THR CG2 C 22.775 0.026 1 978 102 103 THR N N 117.859 0.047 1 979 103 104 ALA H H 7.661 0.011 1 980 103 104 ALA HA H 4.044 0.006 1 981 103 104 ALA HB H 1.511 0.003 1 982 103 104 ALA C C 179.360 0.000 1 983 103 104 ALA CA C 54.808 0.034 1 984 103 104 ALA CB C 18.494 0.020 1 985 103 104 ALA N N 122.165 0.051 1 986 104 105 THR H H 7.401 0.012 1 987 104 105 THR HA H 4.098 0.003 1 988 104 105 THR HB H 4.274 0.003 1 989 104 105 THR HG2 H 1.600 0.001 1 990 104 105 THR C C 176.152 0.000 1 991 104 105 THR CA C 66.861 0.030 1 992 104 105 THR CB C 69.012 0.026 1 993 104 105 THR CG2 C 22.920 0.024 1 994 104 105 THR N N 108.502 0.031 1 995 105 106 ALA H H 7.019 0.009 1 996 105 106 ALA HA H 4.071 0.006 1 997 105 106 ALA HB H 1.567 0.004 1 998 105 106 ALA C C 179.993 0.000 1 999 105 106 ALA CA C 55.287 0.017 1 1000 105 106 ALA CB C 18.541 0.029 1 1001 105 106 ALA N N 122.338 0.054 1 1002 106 107 GLU H H 7.171 0.012 1 1003 106 107 GLU HA H 4.002 0.003 1 1004 106 107 GLU HB2 H 1.772 0.001 2 1005 106 107 GLU HB3 H 1.874 0.002 2 1006 106 107 GLU HG2 H 2.065 0.002 1 1007 106 107 GLU HG3 H 2.065 0.002 1 1008 106 107 GLU C C 179.254 0.000 1 1009 106 107 GLU CA C 58.369 0.019 1 1010 106 107 GLU CB C 28.763 0.024 1 1011 106 107 GLU CG C 36.008 0.026 1 1012 106 107 GLU N N 118.595 0.047 1 1013 107 108 PHE H H 7.623 0.013 1 1014 107 108 PHE HA H 4.301 0.005 1 1015 107 108 PHE HB2 H 2.780 0.005 1 1016 107 108 PHE HB3 H 2.780 0.005 1 1017 107 108 PHE HD1 H 7.165 0.005 3 1018 107 108 PHE HD2 H 7.165 0.005 3 1019 107 108 PHE HE1 H 7.361 0.004 3 1020 107 108 PHE HE2 H 7.361 0.004 3 1021 107 108 PHE HZ H 7.209 0.001 1 1022 107 108 PHE C C 177.809 0.000 1 1023 107 108 PHE CA C 61.005 0.065 1 1024 107 108 PHE CB C 39.026 0.043 1 1025 107 108 PHE CD1 C 131.339 0.036 3 1026 107 108 PHE CD2 C 131.339 0.036 3 1027 107 108 PHE CE1 C 131.469 0.023 3 1028 107 108 PHE CE2 C 131.469 0.023 3 1029 107 108 PHE CZ C 130.102 0.012 1 1030 107 108 PHE N N 117.432 0.057 1 1031 108 109 ARG H H 8.224 0.015 1 1032 108 109 ARG HA H 3.306 0.003 1 1033 108 109 ARG HB2 H 0.545 0.002 2 1034 108 109 ARG HB3 H 0.734 0.003 2 1035 108 109 ARG HD2 H 0.870 0.002 2 1036 108 109 ARG HD3 H 1.205 0.003 2 1037 108 109 ARG HE H 6.838 0.028 1 1038 108 109 ARG HG2 H 0.867 0.004 2 1039 108 109 ARG HG3 H 1.193 0.003 2 1040 108 109 ARG HH11 H 6.376 0.028 1 1041 108 109 ARG HH12 H 6.376 0.028 1 1042 108 109 ARG HH21 H 6.376 0.028 1 1043 108 109 ARG HH22 H 6.376 0.028 1 1044 108 109 ARG C C 176.680 0.000 1 1045 108 109 ARG CA C 60.164 0.031 1 1046 108 109 ARG CB C 28.205 0.027 1 1047 108 109 ARG CD C 41.631 0.019 1 1048 108 109 ARG CG C 28.299 0.029 1 1049 108 109 ARG N N 117.233 0.035 1 1050 108 109 ARG NE N 82.997 0.062 1 1051 109 110 GLU H H 7.402 0.011 1 1052 109 110 GLU HA H 3.628 0.003 1 1053 109 110 GLU HB2 H 1.995 0.002 1 1054 109 110 GLU HB3 H 1.995 0.002 1 1055 109 110 GLU HG2 H 2.200 0.003 1 1056 109 110 GLU HG3 H 2.200 0.003 1 1057 109 110 GLU C C 178.979 0.000 1 1058 109 110 GLU CA C 59.571 0.025 1 1059 109 110 GLU CB C 29.094 0.039 1 1060 109 110 GLU CG C 36.014 0.018 1 1061 109 110 GLU N N 116.506 0.053 1 1062 110 111 GLN H H 7.654 0.014 1 1063 110 111 GLN HA H 3.896 0.002 1 1064 110 111 GLN HB2 H 2.158 0.001 2 1065 110 111 GLN HB3 H 2.342 0.002 2 1066 110 111 GLN HE21 H 6.409 0.020 1 1067 110 111 GLN HE22 H 7.495 0.021 1 1068 110 111 GLN HG2 H 2.398 0.003 2 1069 110 111 GLN HG3 H 2.522 0.003 2 1070 110 111 GLN C C 178.350 0.000 1 1071 110 111 GLN CA C 59.001 0.026 1 1072 110 111 GLN CB C 28.117 0.013 1 1073 110 111 GLN CD C 178.933 0.008 1 1074 110 111 GLN CG C 33.014 0.019 1 1075 110 111 GLN N N 118.026 0.061 1 1076 110 111 GLN NE2 N 109.658 0.058 1 1077 111 112 ILE H H 7.821 0.020 1 1078 111 112 ILE HA H 2.881 0.008 1 1079 111 112 ILE HB H 1.188 0.008 1 1080 111 112 ILE HD1 H -0.109 0.003 1 1081 111 112 ILE HG12 H -0.923 0.003 2 1082 111 112 ILE HG13 H 0.897 0.004 2 1083 111 112 ILE HG2 H -0.397 0.003 1 1084 111 112 ILE C C 176.959 0.000 1 1085 111 112 ILE CA C 65.718 0.062 1 1086 111 112 ILE CB C 38.072 0.023 1 1087 111 112 ILE CD1 C 14.690 0.020 1 1088 111 112 ILE CG1 C 28.231 0.009 1 1089 111 112 ILE CG2 C 16.438 0.080 1 1090 111 112 ILE N N 120.182 0.041 1 1091 112 113 LEU H H 7.906 0.012 1 1092 112 113 LEU HA H 3.527 0.003 1 1093 112 113 LEU HB2 H 1.300 0.009 2 1094 112 113 LEU HB3 H 1.489 0.009 2 1095 112 113 LEU HD1 H 0.484 0.004 2 1096 112 113 LEU HD2 H 0.546 0.003 2 1097 112 113 LEU HG H 1.511 0.002 1 1098 112 113 LEU C C 179.770 0.000 1 1099 112 113 LEU CA C 58.065 0.036 1 1100 112 113 LEU CB C 40.609 0.062 1 1101 112 113 LEU CD1 C 24.234 0.060 2 1102 112 113 LEU CD2 C 22.724 0.039 2 1103 112 113 LEU CG C 27.572 0.009 1 1104 112 113 LEU N N 116.898 0.051 1 1105 113 114 ARG H H 7.622 0.012 1 1106 113 114 ARG HA H 3.990 0.003 1 1107 113 114 ARG HB2 H 1.826 0.003 1 1108 113 114 ARG HB3 H 1.826 0.003 1 1109 113 114 ARG HD2 H 3.144 0.002 1 1110 113 114 ARG HD3 H 3.144 0.002 1 1111 113 114 ARG HG2 H 1.521 0.002 2 1112 113 114 ARG HG3 H 1.646 0.002 2 1113 113 114 ARG C C 179.030 0.000 1 1114 113 114 ARG CA C 58.957 0.014 1 1115 113 114 ARG CB C 30.313 0.025 1 1116 113 114 ARG CD C 43.215 0.014 1 1117 113 114 ARG CG C 27.222 0.025 1 1118 113 114 ARG N N 117.005 0.051 1 1119 114 115 VAL H H 7.708 0.010 1 1120 114 115 VAL HA H 3.957 0.002 1 1121 114 115 VAL HB H 2.184 0.004 1 1122 114 115 VAL HG1 H 1.020 0.003 2 1123 114 115 VAL HG2 H 1.151 0.004 2 1124 114 115 VAL C C 177.494 0.000 1 1125 114 115 VAL CA C 64.795 0.040 1 1126 114 115 VAL CB C 32.146 0.065 1 1127 114 115 VAL CG1 C 21.398 0.036 2 1128 114 115 VAL CG2 C 22.305 0.022 2 1129 114 115 VAL N N 116.095 0.055 1 1130 115 116 LYS H H 7.829 0.007 1 1131 115 116 LYS HA H 4.538 0.006 1 1132 115 116 LYS HB2 H 1.637 0.003 2 1133 115 116 LYS HB3 H 1.946 0.003 2 1134 115 116 LYS HD2 H 1.577 0.002 2 1135 115 116 LYS HD3 H 1.577 0.002 2 1136 115 116 LYS HE2 H 3.173 0.003 1 1137 115 116 LYS HE3 H 3.173 0.003 1 1138 115 116 LYS HG2 H 1.265 0.002 2 1139 115 116 LYS HG3 H 1.407 0.003 2 1140 115 116 LYS C C 176.479 0.000 1 1141 115 116 LYS CA C 54.456 0.030 1 1142 115 116 LYS CB C 30.613 0.021 1 1143 115 116 LYS CD C 27.252 0.017 1 1144 115 116 LYS CE C 43.565 0.015 1 1145 115 116 LYS CG C 24.206 0.016 1 1146 115 116 LYS N N 119.916 0.035 1 1147 116 117 ALA H H 7.067 0.010 1 1148 116 117 ALA HA H 4.039 0.005 1 1149 116 117 ALA HB H 1.417 0.004 1 1150 116 117 ALA C C 178.305 0.000 1 1151 116 117 ALA CA C 54.505 0.058 1 1152 116 117 ALA CB C 18.959 0.047 1 1153 116 117 ALA N N 120.881 0.039 1 1154 117 118 GLU H H 8.716 0.011 1 1155 117 118 GLU HA H 4.190 0.002 1 1156 117 118 GLU HB2 H 1.931 0.006 2 1157 117 118 GLU HB3 H 2.097 0.002 2 1158 117 118 GLU HG2 H 2.204 0.003 1 1159 117 118 GLU HG3 H 2.204 0.003 1 1160 117 118 GLU C C 176.551 0.000 1 1161 117 118 GLU CA C 56.870 0.028 1 1162 117 118 GLU CB C 29.331 0.049 1 1163 117 118 GLU CG C 36.617 0.007 1 1164 117 118 GLU N N 115.668 0.039 1 1165 118 119 GLU H H 7.964 0.016 1 1166 118 119 GLU HA H 4.323 0.004 1 1167 118 119 GLU HB2 H 1.940 0.003 1 1168 118 119 GLU HB3 H 1.940 0.003 1 1169 118 119 GLU HG2 H 2.185 0.003 1 1170 118 119 GLU HG3 H 2.185 0.003 1 1171 118 119 GLU C C 175.538 0.000 1 1172 118 119 GLU CA C 55.646 0.034 1 1173 118 119 GLU CB C 30.569 0.020 1 1174 118 119 GLU CG C 36.313 0.030 1 1175 118 119 GLU N N 119.249 0.035 1 1176 119 120 ASP H H 8.298 0.016 1 1177 119 120 ASP HA H 4.460 0.001 1 1178 119 120 ASP HB2 H 2.621 0.002 1 1179 119 120 ASP HB3 H 2.621 0.002 1 1180 119 120 ASP C C 175.807 0.000 1 1181 119 120 ASP CA C 54.917 0.022 1 1182 119 120 ASP CB C 41.659 0.014 1 1183 119 120 ASP N N 120.476 0.049 1 1184 120 121 LYS H H 8.026 0.012 1 1185 120 121 LYS HA H 4.301 0.004 1 1186 120 121 LYS HB2 H 1.689 0.001 2 1187 120 121 LYS HB3 H 1.689 0.001 2 1188 120 121 LYS HD2 H 1.638 0.003 1 1189 120 121 LYS HD3 H 1.638 0.003 1 1190 120 121 LYS HE2 H 2.952 0.004 2 1191 120 121 LYS HE3 H 2.952 0.004 2 1192 120 121 LYS HG2 H 1.293 0.004 2 1193 120 121 LYS HG3 H 1.293 0.004 2 1194 120 121 LYS C C 175.224 0.000 1 1195 120 121 LYS CA C 55.368 0.021 1 1196 120 121 LYS CB C 33.333 0.027 1 1197 120 121 LYS CD C 29.059 0.040 1 1198 120 121 LYS CE C 42.067 0.023 1 1199 120 121 LYS CG C 24.775 0.069 1 1200 120 121 LYS N N 119.201 0.050 1 1201 121 122 ILE H H 8.320 0.012 1 1202 121 122 ILE HA H 4.395 0.003 1 1203 121 122 ILE HB H 1.616 0.003 1 1204 121 122 ILE HD1 H 0.689 0.002 1 1205 121 122 ILE HG12 H 1.015 0.003 2 1206 121 122 ILE HG13 H 1.249 0.002 2 1207 121 122 ILE HG2 H 0.709 0.003 1 1208 121 122 ILE CA C 57.818 0.011 1 1209 121 122 ILE CB C 39.653 0.034 1 1210 121 122 ILE CD1 C 14.317 0.016 1 1211 121 122 ILE CG1 C 28.173 0.096 1 1212 121 122 ILE CG2 C 17.938 0.023 1 1213 121 122 ILE N N 125.073 0.034 1 1214 122 123 PRO HA H 4.418 0.003 1 1215 122 123 PRO HB2 H 1.994 0.002 2 1216 122 123 PRO HB3 H 2.099 0.003 2 1217 122 123 PRO HD2 H 3.945 0.001 1 1218 122 123 PRO HD3 H 3.945 0.001 1 1219 122 123 PRO HG2 H 1.678 0.002 2 1220 122 123 PRO HG3 H 1.957 0.002 2 1221 122 123 PRO C C 174.839 0.000 1 1222 122 123 PRO CA C 63.500 0.019 1 1223 122 123 PRO CB C 32.417 0.014 1 1224 122 123 PRO CD C 51.401 0.005 1 1225 122 123 PRO CG C 28.126 0.069 1 1226 123 124 LEU H H 7.944 0.013 1 1227 123 124 LEU HA H 5.443 0.003 1 1228 123 124 LEU HB2 H 1.563 0.002 2 1229 123 124 LEU HB3 H 1.660 0.002 2 1230 123 124 LEU HD1 H 0.609 0.003 2 1231 123 124 LEU HD2 H 0.684 0.004 2 1232 123 124 LEU HG H 1.655 0.006 1 1233 123 124 LEU C C 174.364 0.000 1 1234 123 124 LEU CA C 55.112 0.023 1 1235 123 124 LEU CB C 45.742 0.024 1 1236 123 124 LEU CD1 C 26.395 0.021 2 1237 123 124 LEU CD2 C 25.797 0.026 2 1238 123 124 LEU CG C 26.327 0.136 1 1239 123 124 LEU N N 127.983 0.062 1 1240 124 125 LEU H H 8.169 0.006 1 1241 124 125 LEU HA H 4.645 0.005 1 1242 124 125 LEU HB2 H 1.329 0.003 2 1243 124 125 LEU HB3 H 1.459 0.005 2 1244 124 125 LEU HD1 H 0.696 0.007 2 1245 124 125 LEU HD2 H 0.753 0.008 2 1246 124 125 LEU HG H 1.651 0.003 1 1247 124 125 LEU C C 174.567 0.000 1 1248 124 125 LEU CA C 56.207 0.048 1 1249 124 125 LEU CB C 46.633 0.044 1 1250 124 125 LEU CD1 C 26.042 0.036 2 1251 124 125 LEU CD2 C 26.047 0.026 2 1252 124 125 LEU CG C 29.136 0.138 1 1253 124 125 LEU N N 124.871 0.049 1 1254 125 126 VAL H H 8.309 0.013 1 1255 125 126 VAL HA H 4.905 0.005 1 1256 125 126 VAL HB H 2.324 0.003 1 1257 125 126 VAL HG1 H 1.246 0.003 2 1258 125 126 VAL HG2 H 1.439 0.002 2 1259 125 126 VAL C C 173.019 0.000 1 1260 125 126 VAL CA C 62.328 0.033 1 1261 125 126 VAL CB C 32.636 0.060 1 1262 125 126 VAL CG1 C 22.891 0.045 2 1263 125 126 VAL CG2 C 22.018 0.032 2 1264 125 126 VAL N N 124.311 0.067 1 1265 126 127 VAL H H 9.169 0.013 1 1266 126 127 VAL HA H 4.847 0.004 1 1267 126 127 VAL HB H 1.737 0.003 1 1268 126 127 VAL HG1 H 0.565 0.004 2 1269 126 127 VAL HG2 H 0.681 0.004 2 1270 126 127 VAL C C 173.850 0.000 1 1271 126 127 VAL CA C 60.326 0.022 1 1272 126 127 VAL CB C 34.825 0.014 1 1273 126 127 VAL CG1 C 22.978 0.035 2 1274 126 127 VAL CG2 C 23.593 0.040 2 1275 126 127 VAL N N 128.677 0.049 1 1276 127 128 GLY H H 8.281 0.017 1 1277 127 128 GLY HA2 H 2.694 0.005 2 1278 127 128 GLY HA3 H 2.935 0.006 2 1279 127 128 GLY C C 171.989 0.000 1 1280 127 128 GLY CA C 45.053 0.020 1 1281 127 128 GLY N N 114.748 0.054 1 1282 128 129 ASN H H 8.762 0.017 1 1283 128 129 ASN HA H 5.478 0.002 1 1284 128 129 ASN HB2 H 2.138 0.005 2 1285 128 129 ASN HB3 H 2.600 0.002 2 1286 128 129 ASN HD21 H 7.572 0.007 1 1287 128 129 ASN HD22 H 8.687 0.027 1 1288 128 129 ASN C C 174.218 0.000 1 1289 128 129 ASN CA C 51.527 0.028 1 1290 128 129 ASN CB C 41.025 0.045 1 1291 128 129 ASN N N 121.663 0.047 1 1292 128 129 ASN ND2 N 120.390 0.060 1 1293 129 130 LYS H H 7.235 0.014 1 1294 129 130 LYS HA H 4.134 0.004 1 1295 129 130 LYS HB2 H 1.446 0.004 2 1296 129 130 LYS HB3 H 2.552 0.003 2 1297 129 130 LYS HD2 H 0.424 0.003 2 1298 129 130 LYS HD3 H 0.856 0.004 2 1299 129 130 LYS C C 178.066 0.000 1 1300 129 130 LYS CA C 57.230 0.032 1 1301 129 130 LYS CB C 29.250 0.030 1 1302 129 130 LYS CD C 26.573 0.043 1 1303 129 130 LYS N N 110.658 0.053 1 1304 130 131 SER H H 9.167 0.009 1 1305 130 131 SER HA H 3.802 0.006 1 1306 130 131 SER HB2 H 3.513 0.003 2 1307 130 131 SER HB3 H 3.986 0.005 2 1308 130 131 SER C C 174.450 0.000 1 1309 130 131 SER CA C 60.631 0.035 1 1310 130 131 SER CB C 62.660 0.033 1 1311 130 131 SER N N 114.260 0.056 1 1312 131 132 ASP H H 8.675 0.007 1 1313 131 132 ASP HA H 4.512 0.005 1 1314 131 132 ASP HB2 H 2.536 0.012 2 1315 131 132 ASP HB3 H 2.643 0.009 2 1316 131 132 ASP C C 176.228 0.000 1 1317 131 132 ASP CA C 54.718 0.032 1 1318 131 132 ASP CB C 40.065 0.066 1 1319 131 132 ASP N N 116.623 0.055 1 1320 132 133 LEU H H 8.067 0.012 1 1321 132 133 LEU HA H 4.658 0.005 1 1322 132 133 LEU HB2 H 1.276 0.002 2 1323 132 133 LEU HB3 H 1.829 0.004 2 1324 132 133 LEU HD1 H 0.670 0.003 2 1325 132 133 LEU HD2 H 0.886 0.003 2 1326 132 133 LEU HG H 1.473 0.007 1 1327 132 133 LEU C C 176.607 0.000 1 1328 132 133 LEU CA C 52.995 0.027 1 1329 132 133 LEU CB C 39.877 0.013 1 1330 132 133 LEU CD1 C 22.801 0.021 2 1331 132 133 LEU CD2 C 26.981 0.111 2 1332 132 133 LEU CG C 26.060 0.129 1 1333 132 133 LEU N N 123.048 0.036 1 1334 133 134 GLU H H 6.654 0.011 1 1335 133 134 GLU HA H 3.696 0.003 1 1336 133 134 GLU HB2 H 1.830 0.003 2 1337 133 134 GLU HB3 H 2.156 0.004 2 1338 133 134 GLU HG2 H 2.079 0.004 2 1339 133 134 GLU HG3 H 2.402 0.003 2 1340 133 134 GLU C C 178.162 0.000 1 1341 133 134 GLU CA C 59.276 0.022 1 1342 133 134 GLU CB C 30.271 0.021 1 1343 133 134 GLU CG C 34.510 0.020 1 1344 133 134 GLU N N 119.324 0.039 1 1345 134 135 GLU H H 9.151 0.008 1 1346 134 135 GLU HA H 4.121 0.004 1 1347 134 135 GLU HB2 H 1.995 0.002 2 1348 134 135 GLU HB3 H 1.995 0.002 2 1349 134 135 GLU HG2 H 2.190 0.005 2 1350 134 135 GLU HG3 H 2.267 0.005 2 1351 134 135 GLU C C 177.016 0.000 1 1352 134 135 GLU CA C 58.679 0.019 1 1353 134 135 GLU CB C 29.085 0.038 1 1354 134 135 GLU CG C 36.305 0.033 1 1355 134 135 GLU N N 116.864 0.037 1 1356 135 136 ARG H H 7.929 0.010 1 1357 135 136 ARG HA H 4.516 0.003 1 1358 135 136 ARG HB2 H 1.639 0.003 2 1359 135 136 ARG HB3 H 2.225 0.003 2 1360 135 136 ARG HD2 H 3.166 0.002 1 1361 135 136 ARG HD3 H 3.166 0.002 1 1362 135 136 ARG HG2 H 1.578 0.002 1 1363 135 136 ARG HG3 H 1.578 0.002 1 1364 135 136 ARG C C 175.477 0.000 1 1365 135 136 ARG CA C 54.142 0.015 1 1366 135 136 ARG CB C 30.619 0.015 1 1367 135 136 ARG CD C 43.566 0.017 1 1368 135 136 ARG CG C 26.921 0.020 1 1369 135 136 ARG N N 117.253 0.041 1 1370 136 137 ARG H H 7.434 0.011 1 1371 136 137 ARG HA H 3.482 0.002 1 1372 136 137 ARG HB2 H 1.558 0.003 2 1373 136 137 ARG HB3 H 1.942 0.003 2 1374 136 137 ARG HD2 H 2.873 0.003 2 1375 136 137 ARG HD3 H 3.597 0.003 2 1376 136 137 ARG HE H 8.142 0.032 1 1377 136 137 ARG HG2 H 1.114 0.003 1 1378 136 137 ARG HG3 H 1.114 0.003 1 1379 136 137 ARG HH11 H 8.548 0.000 1 1380 136 137 ARG HH12 H 8.548 0.000 1 1381 136 137 ARG HH21 H 8.548 0.000 1 1382 136 137 ARG HH22 H 8.548 0.000 1 1383 136 137 ARG C C 176.780 0.000 1 1384 136 137 ARG CA C 58.724 0.040 1 1385 136 137 ARG CB C 31.813 0.095 1 1386 136 137 ARG CD C 43.490 0.037 1 1387 136 137 ARG CG C 29.365 0.021 1 1388 136 137 ARG N N 120.348 0.035 1 1389 136 137 ARG NE N 80.015 0.051 1 1390 137 138 GLN H H 9.542 0.011 1 1391 137 138 GLN HA H 4.545 0.002 1 1392 137 138 GLN HB2 H 1.478 0.003 2 1393 137 138 GLN HB3 H 1.478 0.003 2 1394 137 138 GLN HE21 H 6.966 0.021 1 1395 137 138 GLN HE22 H 7.384 0.016 1 1396 137 138 GLN HG2 H 2.462 0.004 2 1397 137 138 GLN HG3 H 2.666 0.003 2 1398 137 138 GLN C C 174.791 0.000 1 1399 137 138 GLN CA C 55.327 0.017 1 1400 137 138 GLN CB C 32.687 0.022 1 1401 137 138 GLN CD C 180.688 0.005 1 1402 137 138 GLN CG C 33.929 0.064 1 1403 137 138 GLN N N 123.920 0.048 1 1404 137 138 GLN NE2 N 110.766 0.044 1 1405 138 139 VAL H H 7.199 0.015 1 1406 138 139 VAL HA H 4.373 0.002 1 1407 138 139 VAL HB H 2.033 0.002 1 1408 138 139 VAL HG1 H -0.049 0.002 2 1409 138 139 VAL HG2 H 0.747 0.002 2 1410 138 139 VAL CA C 59.022 0.041 1 1411 138 139 VAL CB C 33.284 0.083 1 1412 138 139 VAL CG1 C 19.607 0.015 2 1413 138 139 VAL CG2 C 20.341 0.030 2 1414 138 139 VAL N N 120.590 0.046 1 1415 139 140 PRO HA H 4.363 0.003 1 1416 139 140 PRO HB2 H 1.676 0.001 2 1417 139 140 PRO HB3 H 2.370 0.003 2 1418 139 140 PRO HD2 H 3.865 0.003 1 1419 139 140 PRO HD3 H 3.865 0.003 1 1420 139 140 PRO HG2 H 1.819 0.003 2 1421 139 140 PRO HG3 H 2.046 0.002 2 1422 139 140 PRO C C 177.227 0.000 1 1423 139 140 PRO CA C 62.594 0.014 1 1424 139 140 PRO CB C 32.682 0.066 1 1425 139 140 PRO CD C 50.856 0.064 1 1426 139 140 PRO CG C 27.631 0.010 1 1427 140 141 VAL H H 8.801 0.012 1 1428 140 141 VAL HA H 3.492 0.004 1 1429 140 141 VAL HB H 1.925 0.003 1 1430 140 141 VAL HG1 H 0.935 0.003 2 1431 140 141 VAL HG2 H 1.181 0.002 2 1432 140 141 VAL C C 177.644 0.000 1 1433 140 141 VAL CA C 66.262 0.034 1 1434 140 141 VAL CB C 32.087 0.023 1 1435 140 141 VAL CG1 C 21.194 0.053 2 1436 140 141 VAL CG2 C 22.138 0.024 2 1437 140 141 VAL N N 125.945 0.052 1 1438 141 142 GLU H H 8.826 0.010 1 1439 141 142 GLU HA H 3.868 0.003 1 1440 141 142 GLU HB2 H 1.865 0.003 1 1441 141 142 GLU HB3 H 1.865 0.003 1 1442 141 142 GLU HG2 H 2.192 0.003 2 1443 141 142 GLU HG3 H 2.267 0.005 2 1444 141 142 GLU C C 178.954 0.000 1 1445 141 142 GLU CA C 59.258 0.024 1 1446 141 142 GLU CB C 28.792 0.039 1 1447 141 142 GLU CG C 36.306 0.035 1 1448 141 142 GLU N N 114.368 0.036 1 1449 142 143 GLU H H 6.970 0.011 1 1450 142 143 GLU HA H 3.829 0.003 1 1451 142 143 GLU HB2 H 1.788 0.002 2 1452 142 143 GLU HB3 H 1.788 0.002 2 1453 142 143 GLU HG2 H 1.843 0.004 2 1454 142 143 GLU HG3 H 2.135 0.003 2 1455 142 143 GLU C C 178.515 0.000 1 1456 142 143 GLU CA C 58.951 0.022 1 1457 142 143 GLU CB C 29.668 0.019 1 1458 142 143 GLU CG C 35.764 0.042 1 1459 142 143 GLU N N 120.259 0.061 1 1460 143 144 ALA H H 6.755 0.016 1 1461 143 144 ALA HA H 3.515 0.006 1 1462 143 144 ALA HB H 0.386 0.005 1 1463 143 144 ALA C C 178.603 0.000 1 1464 143 144 ALA CA C 54.726 0.026 1 1465 143 144 ALA CB C 17.635 0.065 1 1466 143 144 ALA N N 121.644 0.043 1 1467 144 145 ARG H H 8.531 0.013 1 1468 144 145 ARG HA H 3.540 0.003 1 1469 144 145 ARG HB2 H 1.716 0.002 1 1470 144 145 ARG HB3 H 1.716 0.002 1 1471 144 145 ARG HD2 H 3.147 0.003 1 1472 144 145 ARG HD3 H 3.147 0.003 1 1473 144 145 ARG HG2 H 1.610 0.002 2 1474 144 145 ARG HG3 H 1.783 0.004 2 1475 144 145 ARG C C 178.975 0.000 1 1476 144 145 ARG CA C 59.888 0.037 1 1477 144 145 ARG CB C 30.314 0.018 1 1478 144 145 ARG CD C 43.564 0.015 1 1479 144 145 ARG CG C 27.816 0.027 1 1480 144 145 ARG N N 116.814 0.056 1 1481 145 146 SER H H 7.706 0.016 1 1482 145 146 SER HA H 4.050 0.005 1 1483 145 146 SER HB2 H 3.802 0.005 2 1484 145 146 SER HB3 H 3.838 0.004 2 1485 145 146 SER C C 176.819 0.000 1 1486 145 146 SER CA C 61.558 0.048 1 1487 145 146 SER CB C 62.605 0.050 1 1488 145 146 SER N N 112.746 0.042 1 1489 146 147 LYS H H 7.128 0.014 1 1490 146 147 LYS HA H 3.590 0.003 1 1491 146 147 LYS HB2 H 1.153 0.004 2 1492 146 147 LYS HB3 H 1.483 0.008 2 1493 146 147 LYS HD2 H 1.029 0.004 2 1494 146 147 LYS HD3 H 1.029 0.004 2 1495 146 147 LYS HE2 H 2.412 0.008 2 1496 146 147 LYS HE3 H 2.575 0.005 2 1497 146 147 LYS HG2 H -0.343 0.010 2 1498 146 147 LYS HG3 H 0.502 0.003 2 1499 146 147 LYS C C 176.340 0.000 1 1500 146 147 LYS CA C 56.658 0.044 1 1501 146 147 LYS CB C 30.011 0.044 1 1502 146 147 LYS CD C 26.352 0.051 1 1503 146 147 LYS CE C 41.175 0.052 1 1504 146 147 LYS CG C 21.608 0.055 1 1505 146 147 LYS N N 123.340 0.062 1 1506 147 148 ALA H H 7.733 0.008 1 1507 147 148 ALA HA H 3.712 0.002 1 1508 147 148 ALA HB H 1.375 0.006 1 1509 147 148 ALA C C 179.397 0.000 1 1510 147 148 ALA CA C 55.485 0.040 1 1511 147 148 ALA CB C 17.982 0.023 1 1512 147 148 ALA N N 119.316 0.058 1 1513 148 149 GLU H H 8.157 0.014 1 1514 148 149 GLU HA H 4.078 0.002 1 1515 148 149 GLU HB2 H 2.005 0.000 2 1516 148 149 GLU HB3 H 2.085 0.001 2 1517 148 149 GLU HG2 H 2.204 0.002 2 1518 148 149 GLU HG3 H 2.363 0.001 2 1519 148 149 GLU C C 180.732 0.000 1 1520 148 149 GLU CA C 59.560 0.018 1 1521 148 149 GLU CB C 29.367 0.012 1 1522 148 149 GLU CG C 36.616 0.012 1 1523 148 149 GLU N N 116.718 0.063 1 1524 149 150 GLU H H 7.763 0.013 1 1525 149 150 GLU HA H 3.938 0.003 1 1526 149 150 GLU HB2 H 2.039 0.003 1 1527 149 150 GLU HB3 H 2.039 0.003 1 1528 149 150 GLU HG2 H 2.092 0.003 2 1529 149 150 GLU HG3 H 2.352 0.002 2 1530 149 150 GLU C C 178.955 0.000 1 1531 149 150 GLU CA C 59.555 0.026 1 1532 149 150 GLU CB C 29.332 0.056 1 1533 149 150 GLU CG C 36.014 0.013 1 1534 149 150 GLU N N 122.909 0.068 1 1535 150 151 TRP H H 7.817 0.015 1 1536 150 151 TRP HA H 4.732 0.003 1 1537 150 151 TRP HB2 H 3.083 0.007 2 1538 150 151 TRP HB3 H 3.374 0.005 2 1539 150 151 TRP HD1 H 6.790 0.007 1 1540 150 151 TRP HE1 H 9.840 0.013 1 1541 150 151 TRP HE3 H 6.938 0.007 1 1542 150 151 TRP HH2 H 6.772 0.005 1 1543 150 151 TRP HZ2 H 7.057 0.004 1 1544 150 151 TRP HZ3 H 6.614 0.007 1 1545 150 151 TRP C C 176.607 0.000 1 1546 150 151 TRP CA C 54.816 0.017 1 1547 150 151 TRP CB C 30.243 0.030 1 1548 150 151 TRP CD1 C 122.747 0.028 1 1549 150 151 TRP CE3 C 118.874 0.026 1 1550 150 151 TRP CH2 C 123.184 0.018 1 1551 150 151 TRP CZ2 C 113.665 0.041 1 1552 150 151 TRP CZ3 C 120.521 0.037 1 1553 150 151 TRP N N 118.621 0.066 1 1554 150 151 TRP NE1 N 127.046 0.093 1 1555 151 152 GLY H H 8.260 0.013 1 1556 151 152 GLY HA2 H 4.023 0.003 1 1557 151 152 GLY HA3 H 4.023 0.003 1 1558 151 152 GLY C C 175.170 0.000 1 1559 151 152 GLY CA C 46.575 0.022 1 1560 151 152 GLY N N 111.046 0.045 1 1561 152 153 VAL H H 8.238 0.014 1 1562 152 153 VAL HA H 4.982 0.002 1 1563 152 153 VAL HB H 2.655 0.004 1 1564 152 153 VAL HG1 H 0.991 0.003 2 1565 152 153 VAL HG2 H 1.035 0.002 2 1566 152 153 VAL C C 174.531 0.000 1 1567 152 153 VAL CA C 58.824 0.070 1 1568 152 153 VAL CB C 35.656 0.021 1 1569 152 153 VAL CG1 C 22.773 0.011 2 1570 152 153 VAL CG2 C 19.094 0.049 2 1571 152 153 VAL N N 112.322 0.052 1 1572 153 154 GLN H H 8.813 0.014 1 1573 153 154 GLN HA H 4.347 0.003 1 1574 153 154 GLN HB2 H 1.941 0.003 1 1575 153 154 GLN HB3 H 1.941 0.003 1 1576 153 154 GLN HE21 H 7.282 0.028 1 1577 153 154 GLN HE22 H 7.493 0.015 1 1578 153 154 GLN HG2 H 2.251 0.005 2 1579 153 154 GLN HG3 H 2.390 0.003 2 1580 153 154 GLN C C 173.875 0.000 1 1581 153 154 GLN CA C 55.333 0.025 1 1582 153 154 GLN CB C 30.575 0.017 1 1583 153 154 GLN CD C 180.329 0.046 1 1584 153 154 GLN CG C 34.506 0.026 1 1585 153 154 GLN N N 118.921 0.038 1 1586 153 154 GLN NE2 N 113.337 0.039 1 1587 154 155 TYR H H 8.154 0.009 1 1588 154 155 TYR HA H 5.768 0.004 1 1589 154 155 TYR HB2 H 2.566 0.002 2 1590 154 155 TYR HB3 H 2.763 0.003 2 1591 154 155 TYR HD1 H 6.866 0.011 3 1592 154 155 TYR HD2 H 6.866 0.011 3 1593 154 155 TYR HE1 H 6.674 0.009 3 1594 154 155 TYR HE2 H 6.674 0.009 3 1595 154 155 TYR HH H 11.450 0.016 1 1596 154 155 TYR C C 175.098 0.000 1 1597 154 155 TYR CA C 55.127 0.061 1 1598 154 155 TYR CB C 41.192 0.029 1 1599 154 155 TYR CD1 C 131.777 0.038 3 1600 154 155 TYR CD2 C 131.777 0.038 3 1601 154 155 TYR CE1 C 119.621 0.042 3 1602 154 155 TYR CE2 C 119.621 0.042 3 1603 154 155 TYR N N 120.553 0.054 1 1604 155 156 VAL H H 8.278 0.015 1 1605 155 156 VAL HA H 3.706 0.002 1 1606 155 156 VAL HB H 1.400 0.004 1 1607 155 156 VAL HG1 H 0.622 0.003 2 1608 155 156 VAL HG2 H 0.669 0.002 2 1609 155 156 VAL C C 173.120 0.000 1 1610 155 156 VAL CA C 60.279 0.033 1 1611 155 156 VAL CB C 36.226 0.057 1 1612 155 156 VAL CG1 C 22.132 0.031 2 1613 155 156 VAL CG2 C 22.130 0.037 2 1614 155 156 VAL N N 129.197 0.060 1 1615 156 157 GLU H H 8.240 0.016 1 1616 156 157 GLU HA H 5.117 0.003 1 1617 156 157 GLU HB2 H 1.653 0.004 1 1618 156 157 GLU HB3 H 1.653 0.004 1 1619 156 157 GLU HG2 H 2.184 0.003 1 1620 156 157 GLU HG3 H 2.184 0.003 1 1621 156 157 GLU C C 177.190 0.000 1 1622 156 157 GLU CA C 55.043 0.040 1 1623 156 157 GLU CB C 30.573 0.017 1 1624 156 157 GLU CG C 36.330 0.041 1 1625 156 157 GLU N N 122.876 0.056 1 1626 157 158 THR H H 8.845 0.016 1 1627 157 158 THR HA H 4.797 0.010 1 1628 157 158 THR HB H 3.871 0.003 1 1629 157 158 THR HG1 H 4.668 0.020 1 1630 157 158 THR HG2 H 0.679 0.003 1 1631 157 158 THR C C 175.499 0.000 1 1632 157 158 THR CA C 59.396 0.056 1 1633 157 158 THR CB C 73.418 0.027 1 1634 157 158 THR CG2 C 22.694 0.078 1 1635 157 158 THR N N 114.356 0.044 1 1636 158 159 SER H H 7.974 0.016 1 1637 158 159 SER HA H 4.910 0.007 1 1638 158 159 SER HB2 H 3.960 0.009 1 1639 158 159 SER HB3 H 3.960 0.009 1 1640 158 159 SER C C 175.697 0.000 1 1641 158 159 SER CA C 57.263 0.020 1 1642 158 159 SER CB C 64.322 0.080 1 1643 158 159 SER N N 110.463 0.053 1 1644 159 160 ALA H H 9.047 0.010 1 1645 159 160 ALA HA H 3.855 0.008 1 1646 159 160 ALA HB H 1.479 0.005 1 1647 159 160 ALA C C 175.563 0.000 1 1648 159 160 ALA CA C 54.741 0.027 1 1649 159 160 ALA CB C 18.693 0.033 1 1650 159 160 ALA N N 132.050 0.059 1 1651 160 161 LYS H H 6.896 0.010 1 1652 160 161 LYS HA H 2.406 0.006 1 1653 160 161 LYS HB2 H 0.365 0.007 2 1654 160 161 LYS HB3 H 0.990 0.004 2 1655 160 161 LYS HD2 H 1.212 0.005 2 1656 160 161 LYS HD3 H 1.343 0.005 2 1657 160 161 LYS HE2 H 2.708 0.003 2 1658 160 161 LYS HE3 H 2.757 0.004 2 1659 160 161 LYS HG2 H 0.426 0.007 2 1660 160 161 LYS HG3 H 0.635 0.003 2 1661 160 161 LYS C C 176.986 0.000 1 1662 160 161 LYS CA C 58.199 0.033 1 1663 160 161 LYS CB C 33.927 0.032 1 1664 160 161 LYS CD C 29.811 0.036 1 1665 160 161 LYS CE C 42.051 0.022 1 1666 160 161 LYS CG C 24.676 0.028 1 1667 160 161 LYS N N 115.126 0.052 1 1668 161 162 THR H H 7.717 0.014 1 1669 161 162 THR HA H 4.077 0.004 1 1670 161 162 THR HB H 4.366 0.003 1 1671 161 162 THR HG1 H 5.300 0.013 1 1672 161 162 THR HG2 H 0.995 0.004 1 1673 161 162 THR C C 175.559 0.000 1 1674 161 162 THR CA C 61.254 0.022 1 1675 161 162 THR CB C 69.358 0.051 1 1676 161 162 THR CG2 C 21.187 0.043 1 1677 161 162 THR N N 105.758 0.053 1 1678 162 163 ARG H H 7.664 0.020 1 1679 162 163 ARG HA H 3.442 0.002 1 1680 162 163 ARG HB2 H 1.692 0.003 2 1681 162 163 ARG HB3 H 2.152 0.002 2 1682 162 163 ARG HD2 H 3.073 0.003 2 1683 162 163 ARG HD3 H 3.073 0.003 2 1684 162 163 ARG HE H 6.965 0.027 1 1685 162 163 ARG HG2 H 1.210 0.001 2 1686 162 163 ARG HG3 H 1.805 0.004 2 1687 162 163 ARG HH11 H 7.357 0.000 1 1688 162 163 ARG HH12 H 7.357 0.000 1 1689 162 163 ARG HH21 H 7.357 0.000 1 1690 162 163 ARG HH22 H 7.357 0.000 1 1691 162 163 ARG C C 175.775 0.000 1 1692 162 163 ARG CA C 58.691 0.052 1 1693 162 163 ARG CB C 30.313 0.022 1 1694 162 163 ARG CD C 43.293 0.052 1 1695 162 163 ARG CG C 32.053 0.021 1 1696 162 163 ARG N N 118.305 0.073 1 1697 162 163 ARG NE N 84.700 0.065 1 1698 163 164 ALA H H 7.554 0.008 1 1699 163 164 ALA HA H 4.078 0.004 1 1700 163 164 ALA HB H 1.135 0.002 1 1701 163 164 ALA C C 177.503 0.000 1 1702 163 164 ALA CA C 54.094 0.038 1 1703 163 164 ALA CB C 18.532 0.040 1 1704 163 164 ALA N N 126.045 0.041 1 1705 164 165 ASN H H 8.955 0.015 1 1706 164 165 ASN HA H 4.527 0.007 1 1707 164 165 ASN HB2 H 2.728 0.004 2 1708 164 165 ASN HB3 H 3.197 0.003 2 1709 164 165 ASN HD21 H 6.801 0.012 1 1710 164 165 ASN HD22 H 7.866 0.017 1 1711 164 165 ASN C C 173.868 0.000 1 1712 164 165 ASN CA C 54.452 0.065 1 1713 164 165 ASN CB C 37.274 0.034 1 1714 164 165 ASN CG C 177.563 0.014 1 1715 164 165 ASN N N 115.542 0.046 1 1716 164 165 ASN ND2 N 111.952 0.054 1 1717 165 166 VAL H H 7.383 0.010 1 1718 165 166 VAL HA H 3.381 0.003 1 1719 165 166 VAL HB H 1.861 0.002 1 1720 165 166 VAL HG1 H 0.743 0.003 2 1721 165 166 VAL HG2 H 1.037 0.003 2 1722 165 166 VAL C C 176.169 0.000 1 1723 165 166 VAL CA C 67.773 0.024 1 1724 165 166 VAL CB C 31.309 0.050 1 1725 165 166 VAL CG1 C 24.460 0.024 2 1726 165 166 VAL CG2 C 21.273 0.069 2 1727 165 166 VAL N N 119.830 0.054 1 1728 166 167 ASP H H 8.076 0.013 1 1729 166 167 ASP HA H 4.501 0.005 1 1730 166 167 ASP HB2 H 2.479 0.004 2 1731 166 167 ASP HB3 H 2.526 0.008 2 1732 166 167 ASP C C 177.727 0.000 1 1733 166 167 ASP CA C 58.011 0.040 1 1734 166 167 ASP CB C 39.720 0.037 1 1735 166 167 ASP N N 116.328 0.064 1 1736 167 168 LYS H H 7.705 0.010 1 1737 167 168 LYS HA H 3.878 0.003 1 1738 167 168 LYS HB2 H 1.496 0.005 2 1739 167 168 LYS HB3 H 1.732 0.003 2 1740 167 168 LYS HD2 H 1.279 0.003 2 1741 167 168 LYS HD3 H 1.594 0.005 2 1742 167 168 LYS HE2 H 2.664 0.008 2 1743 167 168 LYS HE3 H 3.048 0.005 2 1744 167 168 LYS HG2 H 1.397 0.002 1 1745 167 168 LYS HG3 H 1.397 0.002 1 1746 167 168 LYS C C 177.758 0.000 1 1747 167 168 LYS CA C 59.878 0.029 1 1748 167 168 LYS CB C 32.599 0.075 1 1749 167 168 LYS CD C 29.541 0.013 1 1750 167 168 LYS CE C 42.439 0.050 1 1751 167 168 LYS CG C 24.813 0.013 1 1752 167 168 LYS N N 117.222 0.049 1 1753 168 169 VAL H H 7.362 0.013 1 1754 168 169 VAL HA H 3.669 0.003 1 1755 168 169 VAL HB H 1.686 0.003 1 1756 168 169 VAL HG1 H 0.643 0.004 2 1757 168 169 VAL HG2 H 0.699 0.008 2 1758 168 169 VAL C C 176.718 0.000 1 1759 168 169 VAL CA C 65.978 0.040 1 1760 168 169 VAL CB C 30.380 0.031 1 1761 168 169 VAL CG1 C 18.727 0.050 2 1762 168 169 VAL CG2 C 18.774 0.033 2 1763 168 169 VAL N N 109.425 0.047 1 1764 169 170 PHE H H 6.682 0.013 1 1765 169 170 PHE HA H 3.696 0.003 1 1766 169 170 PHE HB2 H 1.888 0.002 2 1767 169 170 PHE HB3 H 2.110 0.002 2 1768 169 170 PHE HD1 H 6.771 0.006 3 1769 169 170 PHE HD2 H 6.771 0.006 3 1770 169 170 PHE HE1 H 6.700 0.003 3 1771 169 170 PHE HE2 H 6.700 0.003 3 1772 169 170 PHE C C 178.291 0.000 1 1773 169 170 PHE CA C 63.201 0.018 1 1774 169 170 PHE CB C 39.473 0.017 1 1775 169 170 PHE CD1 C 130.990 0.019 3 1776 169 170 PHE CD2 C 130.990 0.019 3 1777 169 170 PHE CE1 C 128.389 0.036 3 1778 169 170 PHE CE2 C 128.389 0.036 3 1779 169 170 PHE N N 116.620 0.056 1 1780 170 171 PHE H H 8.939 0.011 1 1781 170 171 PHE HA H 4.095 0.004 1 1782 170 171 PHE HB2 H 2.871 0.003 2 1783 170 171 PHE HB3 H 3.227 0.003 2 1784 170 171 PHE HD1 H 7.406 0.003 3 1785 170 171 PHE HD2 H 7.406 0.003 3 1786 170 171 PHE HE1 H 7.442 0.004 3 1787 170 171 PHE HE2 H 7.442 0.004 3 1788 170 171 PHE HZ H 7.302 0.001 1 1789 170 171 PHE C C 178.215 0.000 1 1790 170 171 PHE CA C 61.640 0.023 1 1791 170 171 PHE CB C 37.957 0.013 1 1792 170 171 PHE CD1 C 131.089 0.025 3 1793 170 171 PHE CD2 C 131.089 0.025 3 1794 170 171 PHE CE1 C 131.086 0.049 3 1795 170 171 PHE CE2 C 131.086 0.049 3 1796 170 171 PHE CZ C 129.765 0.005 1 1797 170 171 PHE N N 118.961 0.033 1 1798 171 172 ASP H H 9.428 0.011 1 1799 171 172 ASP HA H 4.377 0.004 1 1800 171 172 ASP HB2 H 2.367 0.006 2 1801 171 172 ASP HB3 H 2.716 0.004 2 1802 171 172 ASP C C 180.509 0.000 1 1803 171 172 ASP CA C 57.740 0.028 1 1804 171 172 ASP CB C 38.852 0.048 1 1805 171 172 ASP N N 119.712 0.035 1 1806 172 173 LEU H H 7.523 0.011 1 1807 172 173 LEU HA H 3.955 0.004 1 1808 172 173 LEU HB2 H 1.390 0.002 2 1809 172 173 LEU HB3 H 1.662 0.003 2 1810 172 173 LEU HD1 H 0.562 0.004 2 1811 172 173 LEU HD2 H 0.639 0.003 2 1812 172 173 LEU HG H 1.230 0.004 1 1813 172 173 LEU C C 179.016 0.000 1 1814 172 173 LEU CA C 57.892 0.057 1 1815 172 173 LEU CB C 41.166 0.014 1 1816 172 173 LEU CD1 C 28.195 0.021 2 1817 172 173 LEU CD2 C 22.396 0.056 2 1818 172 173 LEU CG C 26.522 0.073 1 1819 172 173 LEU N N 120.002 0.037 1 1820 173 174 MET H H 8.173 0.014 1 1821 173 174 MET HA H 3.359 0.003 1 1822 173 174 MET HB2 H 1.614 0.006 2 1823 173 174 MET HB3 H 2.409 0.003 2 1824 173 174 MET HE H 1.540 0.005 1 1825 173 174 MET HG2 H 1.840 0.003 2 1826 173 174 MET HG3 H 2.809 0.002 2 1827 173 174 MET C C 177.786 0.000 1 1828 173 174 MET CA C 61.196 0.036 1 1829 173 174 MET CB C 35.406 0.076 1 1830 173 174 MET CE C 17.548 0.070 1 1831 173 174 MET CG C 33.498 0.025 1 1832 173 174 MET N N 117.110 0.073 1 1833 174 175 ARG H H 8.239 0.014 1 1834 174 175 ARG HA H 3.658 0.004 1 1835 174 175 ARG HB2 H 1.788 0.001 2 1836 174 175 ARG HB3 H 1.893 0.001 2 1837 174 175 ARG HD2 H 3.106 0.004 1 1838 174 175 ARG HD3 H 3.106 0.004 1 1839 174 175 ARG HE H 9.091 0.019 1 1840 174 175 ARG HG2 H 1.332 0.004 2 1841 174 175 ARG HG3 H 2.091 0.003 2 1842 174 175 ARG C C 179.010 0.000 1 1843 174 175 ARG CA C 61.157 0.066 1 1844 174 175 ARG CB C 29.331 0.016 1 1845 174 175 ARG CD C 43.262 0.019 1 1846 174 175 ARG CG C 30.665 0.024 1 1847 174 175 ARG N N 117.288 0.065 1 1848 174 175 ARG NE N 87.508 0.045 1 1849 175 176 GLU H H 7.577 0.013 1 1850 175 176 GLU HA H 4.069 0.003 1 1851 175 176 GLU HB2 H 2.104 0.003 1 1852 175 176 GLU HB3 H 2.104 0.003 1 1853 175 176 GLU HG2 H 2.262 0.002 2 1854 175 176 GLU HG3 H 2.364 0.003 2 1855 175 176 GLU C C 179.962 0.000 1 1856 175 176 GLU CA C 59.927 0.028 1 1857 175 176 GLU CB C 30.038 0.019 1 1858 175 176 GLU CG C 36.243 0.152 1 1859 175 176 GLU N N 120.154 0.046 1 1860 176 177 ILE H H 8.259 0.015 1 1861 176 177 ILE HA H 3.407 0.003 1 1862 176 177 ILE HB H 1.406 0.005 1 1863 176 177 ILE HD1 H 0.490 0.004 1 1864 176 177 ILE HG12 H 0.658 0.011 2 1865 176 177 ILE HG13 H 1.659 0.005 2 1866 176 177 ILE HG2 H 0.865 0.005 1 1867 176 177 ILE C C 177.270 0.000 1 1868 176 177 ILE CA C 66.143 0.012 1 1869 176 177 ILE CB C 38.223 0.022 1 1870 176 177 ILE CD1 C 15.212 0.039 1 1871 176 177 ILE CG1 C 27.683 0.101 1 1872 176 177 ILE CG2 C 19.421 0.086 1 1873 176 177 ILE N N 121.369 0.049 1 1874 177 178 ARG H H 8.615 0.009 1 1875 177 178 ARG HA H 3.656 0.002 1 1876 177 178 ARG HB2 H 1.585 0.004 2 1877 177 178 ARG HB3 H 2.072 0.003 2 1878 177 178 ARG HD2 H 3.033 0.005 2 1879 177 178 ARG HD3 H 3.296 0.003 2 1880 177 178 ARG HG2 H 1.423 0.003 2 1881 177 178 ARG HG3 H 1.835 0.005 2 1882 177 178 ARG C C 177.967 0.000 1 1883 177 178 ARG CA C 60.185 0.037 1 1884 177 178 ARG CB C 30.312 0.043 1 1885 177 178 ARG CD C 43.838 0.011 1 1886 177 178 ARG CG C 26.447 0.019 1 1887 177 178 ARG N N 120.552 0.048 1 1888 178 179 THR H H 8.198 0.016 1 1889 178 179 THR HA H 3.807 0.004 1 1890 178 179 THR HB H 4.224 0.003 1 1891 178 179 THR HG2 H 1.190 0.003 1 1892 178 179 THR C C 176.513 0.000 1 1893 178 179 THR CA C 66.896 0.029 1 1894 178 179 THR CB C 68.674 0.022 1 1895 178 179 THR CG2 C 21.683 0.016 1 1896 178 179 THR N N 115.261 0.047 1 1897 179 180 LYS H H 7.697 0.008 1 1898 179 180 LYS HA H 4.020 0.005 1 1899 179 180 LYS HB2 H 1.881 0.008 2 1900 179 180 LYS HB3 H 2.104 0.002 2 1901 179 180 LYS HD2 H 1.660 0.001 1 1902 179 180 LYS HD3 H 1.660 0.001 1 1903 179 180 LYS HE2 H 3.104 0.004 1 1904 179 180 LYS HE3 H 3.104 0.004 1 1905 179 180 LYS HG2 H 1.385 0.003 2 1906 179 180 LYS HG3 H 1.485 0.002 2 1907 179 180 LYS C C 179.307 0.000 1 1908 179 180 LYS CA C 59.629 0.051 1 1909 179 180 LYS CB C 32.362 0.064 1 1910 179 180 LYS CD C 29.979 0.018 1 1911 179 180 LYS CE C 42.673 0.029 1 1912 179 180 LYS CG C 24.819 0.012 1 1913 179 180 LYS N N 123.447 0.034 1 1914 180 181 LYS H H 8.454 0.011 1 1915 180 181 LYS HA H 3.992 0.002 1 1916 180 181 LYS HB2 H 1.842 0.004 1 1917 180 181 LYS HB3 H 1.842 0.004 1 1918 180 181 LYS HE2 H 2.533 0.003 2 1919 180 181 LYS HE3 H 2.851 0.002 2 1920 180 181 LYS C C 179.397 0.000 1 1921 180 181 LYS CA C 59.886 0.038 1 1922 180 181 LYS CB C 33.638 0.012 1 1923 180 181 LYS CE C 41.980 0.025 1 1924 180 181 LYS N N 119.357 0.051 1 1925 181 182 MET H H 8.268 0.021 1 1926 181 182 MET HA H 4.280 0.004 1 1927 181 182 MET HB2 H 2.134 0.022 2 1928 181 182 MET HB3 H 2.203 0.006 2 1929 181 182 MET HE H 2.075 0.001 1 1930 181 182 MET HG2 H 2.606 0.003 2 1931 181 182 MET HG3 H 2.779 0.003 2 1932 181 182 MET C C 177.759 0.000 1 1933 181 182 MET CA C 57.488 0.027 1 1934 181 182 MET CB C 32.745 0.055 1 1935 181 182 MET CE C 16.605 0.025 1 1936 181 182 MET CG C 32.464 0.062 1 1937 181 182 MET N N 116.843 0.063 1 1938 182 183 SER H H 7.755 0.011 1 1939 182 183 SER HA H 4.383 0.001 1 1940 182 183 SER HB2 H 4.001 0.004 2 1941 182 183 SER HB3 H 4.001 0.003 2 1942 182 183 SER C C 174.795 0.000 1 1943 182 183 SER CA C 59.793 0.038 1 1944 182 183 SER CB C 63.859 0.033 1 1945 182 183 SER N N 114.112 0.035 1 1946 183 184 GLU H H 7.720 0.008 1 1947 183 184 GLU HA H 4.271 0.002 1 1948 183 184 GLU HB2 H 2.010 0.002 2 1949 183 184 GLU HB3 H 2.011 0.002 2 1950 183 184 GLU HG2 H 2.203 0.003 2 1951 183 184 GLU HG3 H 2.408 0.003 2 1952 183 184 GLU C C 176.247 0.000 1 1953 183 184 GLU CA C 56.843 0.012 1 1954 183 184 GLU CB C 30.273 0.002 1 1955 183 184 GLU CG C 36.316 0.017 1 1956 183 184 GLU N N 120.608 0.033 1 1957 184 185 ASN H H 8.129 0.012 1 1958 184 185 ASN HA H 4.708 0.004 1 1959 184 185 ASN HB2 H 2.699 0.005 2 1960 184 185 ASN HB3 H 2.848 0.002 2 1961 184 185 ASN HD21 H 6.893 0.008 1 1962 184 185 ASN HD22 H 7.565 0.024 1 1963 184 185 ASN C C 174.042 0.000 1 1964 184 185 ASN CA C 53.455 0.034 1 1965 184 185 ASN CB C 38.860 0.040 1 1966 184 185 ASN CG C 177.429 0.030 1 1967 184 185 ASN N N 119.109 0.059 1 1968 184 185 ASN ND2 N 112.551 0.042 1 1969 185 186 LYS H H 7.803 0.010 1 1970 185 186 LYS HA H 4.125 0.002 1 1971 185 186 LYS HB2 H 1.677 0.002 2 1972 185 186 LYS HB3 H 1.803 0.002 2 1973 185 186 LYS HD2 H 1.642 0.002 1 1974 185 186 LYS HD3 H 1.642 0.002 1 1975 185 186 LYS HE2 H 2.964 0.002 2 1976 185 186 LYS HE3 H 2.965 0.002 2 1977 185 186 LYS HG2 H 1.355 0.002 1 1978 185 186 LYS HG3 H 1.355 0.002 1 1979 185 186 LYS CA C 57.802 0.008 1 1980 185 186 LYS CB C 33.850 0.023 1 1981 185 186 LYS CD C 29.151 0.011 1 1982 185 186 LYS CE C 42.360 0.015 1 1983 185 186 LYS CG C 24.835 0.016 1 1984 185 186 LYS N N 126.179 0.039 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D C(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GMPPNP _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GNP H1' H 6.016 0.001 1 2 . 1 GNP H1 H 13.055 0.009 1 3 . 1 GNP H21 H 6.351 0.016 1 4 . 1 GNP H22 H 6.351 0.016 1 5 . 1 GNP H8 H 7.920 0.016 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T1_coherence_type NzHz _T1_value_units s-1 _Mol_system_component_name RalB _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 14 ALA N 1.435 0.084 2 16 HIS N 1.426 0.087 3 17 LYS N 1.333 0.092 4 18 VAL N 1.395 0.104 5 19 ILE N 1.321 0.090 6 20 MET N 1.396 0.108 7 21 VAL N 1.372 0.069 8 22 GLY N 1.844 0.157 9 24 GLY N 1.439 0.071 10 25 GLY N 1.879 0.312 11 26 VAL N 1.402 0.063 12 27 GLY N 1.524 0.096 13 28 LYS N 1.459 0.196 14 29 SER N 1.423 0.109 15 31 LEU N 1.457 0.070 16 32 THR N 1.379 0.089 17 33 LEU N 1.466 0.397 18 34 GLN N 1.546 0.081 19 36 MET N 1.352 0.102 20 37 TYR N 1.274 0.073 21 38 ASP N 1.419 0.063 22 39 GLU N 1.348 0.055 23 40 PHE N 1.331 0.049 24 41 VAL N 1.380 0.123 25 42 GLU N 1.498 0.086 26 52 TYR N 1.422 0.094 27 53 ARG N 1.341 0.049 28 54 LYS N 1.456 0.061 29 55 LYS N 1.369 0.047 30 56 VAL N 1.351 0.058 31 57 VAL N 1.204 0.043 32 58 LEU N 1.281 0.083 33 60 GLY N 1.361 0.081 34 61 GLU N 1.306 -0.036 35 62 GLU N 1.238 0.044 36 63 VAL N 1.350 0.074 37 64 GLN N 1.301 0.062 38 65 ILE N 1.416 0.091 39 66 ASP N 1.508 0.208 40 67 ILE N 1.422 0.097 41 68 LEU N 1.409 0.094 42 73 LEU N 1.488 0.072 43 78 ALA N 1.347 0.149 44 79 ILE N 1.373 0.064 45 81 ASP N 1.524 0.084 46 82 ASN N 1.326 0.295 47 83 TYR N 1.270 0.211 48 84 PHE N 1.381 0.087 49 86 SER N 1.328 0.112 50 87 GLY N 1.399 0.058 51 88 GLU N 1.272 0.159 52 89 GLY N 1.308 0.063 53 92 LEU N 1.330 0.071 54 93 VAL N 1.385 0.084 55 94 PHE N 1.522 0.081 56 96 ILE N 1.433 0.087 57 97 THR N 1.416 0.074 58 98 GLU N 1.344 0.045 59 101 SER N 1.305 0.065 60 102 PHE N 1.322 0.083 61 104 ALA N 1.360 0.040 62 105 THR N 1.297 0.051 63 107 GLU N 1.266 0.043 64 108 PHE N 1.297 0.053 65 110 GLU N 1.255 0.051 66 111 GLN N 1.348 0.057 67 112 ILE N 1.287 0.083 68 113 LEU N 1.319 0.067 69 114 ARG N 1.297 0.044 70 115 VAL N 1.369 0.068 71 116 LYS N 1.320 0.056 72 117 ALA N 1.462 0.044 73 118 GLU N 1.503 0.046 74 120 ASP N 1.347 0.062 75 121 LYS N 1.424 0.032 76 122 ILE N 1.450 0.063 77 124 LEU N 1.414 0.058 78 126 VAL N 1.388 0.051 79 127 VAL N 1.434 0.092 80 128 GLY N 1.352 0.096 81 129 ASN N 1.490 0.079 82 130 LYS N 1.197 0.190 83 131 SER N 1.335 0.076 84 132 ASP N 1.509 0.076 85 133 LEU N 1.361 0.064 86 134 GLU N 1.266 0.033 87 135 GLU N 1.420 0.069 88 136 ARG N 1.312 0.051 89 137 ARG N 1.449 0.051 90 138 GLN N 1.376 0.214 91 139 VAL N 1.265 0.103 92 141 VAL N 1.337 0.065 93 143 GLU N 1.299 0.065 94 144 ALA N 1.418 0.056 95 145 ARG N 1.314 0.049 96 146 SER N 1.283 0.040 97 147 LYS N 1.356 0.048 98 148 ALA N 1.362 0.043 99 149 GLU N 1.309 0.041 100 150 GLU N 1.304 0.042 101 152 GLY N 1.334 0.057 102 153 VAL N 1.279 0.049 103 154 GLN N 1.267 0.060 104 156 VAL N 1.409 0.062 105 159 SER N 1.355 0.073 106 160 ALA N 1.457 0.090 107 161 LYS N 1.255 0.073 108 162 THR N 1.360 0.085 109 163 ARG N 1.428 0.070 110 164 ALA N 1.148 0.038 111 165 ASN N 1.473 0.078 112 166 VAL N 1.399 0.054 113 167 ASP N 1.276 0.046 114 168 LYS N 1.323 0.048 115 169 VAL N 1.355 0.056 116 170 PHE N 1.233 0.063 117 171 PHE N 1.281 0.063 118 172 ASP N 1.325 0.058 119 173 LEU N 1.376 0.056 120 174 MET N 1.339 0.055 121 176 GLU N 1.319 0.047 122 177 ILE N 1.371 0.081 123 179 THR N 1.275 0.058 124 180 LYS N 1.408 0.061 125 181 LYS N 1.380 0.082 126 182 MET N 1.358 0.059 127 183 SER N 1.488 0.043 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T2_coherence_type NzHz _T2_value_units s-1 _Mol_system_component_name RalB _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 14 ALA N 15.943 0.626 . . 2 16 HIS N 14.019 0.509 . . 3 17 LYS N 13.901 0.587 . . 4 18 VAL N 13.531 0.574 . . 5 19 ILE N 14.155 0.522 . . 6 20 MET N 13.647 0.584 . . 7 21 VAL N 13.491 0.376 . . 8 22 GLY N 10.975 0.637 . . 9 24 GLY N 14.454 0.416 . . 10 25 GLY N 15.070 1.280 . . 11 26 VAL N 14.081 0.394 . . 12 27 GLY N 14.310 0.500 . . 13 28 LYS N 14.731 1.144 . . 14 29 SER N 16.984 0.796 . . 15 31 LEU N 13.962 0.393 . . 16 32 THR N 13.900 0.504 . . 17 33 LEU N 15.727 0.944 . . 18 34 GLN N 15.256 0.537 . . 19 36 MET N 14.661 0.592 . . 20 37 TYR N 14.221 0.440 . . 21 38 ASP N 14.619 0.363 . . 22 39 GLU N 14.785 0.349 . . 23 40 PHE N 11.862 0.260 . . 24 41 VAL N 14.201 0.676 . . 25 42 GLU N 13.447 0.441 . . 26 52 TYR N 16.201 0.605 . . 27 53 ARG N 13.749 0.307 . . 28 54 LYS N 13.751 0.363 . . 29 55 LYS N 12.938 0.272 . . 30 56 VAL N 13.830 0.347 . . 31 57 VAL N 13.251 0.256 . . 32 58 LEU N 13.941 0.482 . . 33 60 GLY N 14.486 0.500 . . 34 61 GLU N 14.109 0.212 . . 35 62 GLU N 13.037 0.264 . . 36 63 VAL N 13.944 0.457 . . 37 64 GLN N 13.856 0.376 . . 38 65 ILE N 14.886 0.569 . . 39 66 ASP N 13.546 0.518 . . 40 67 ILE N 13.104 0.524 . . 41 68 LEU N 13.391 0.518 . . 42 73 LEU N 15.042 0.469 . . 43 78 ALA N 13.552 0.822 . . 44 79 ILE N 14.576 0.381 . . 45 81 ASP N 13.584 0.453 . . 46 82 ASN N 16.884 1.556 . . 47 83 TYR N 17.252 1.801 . . 48 84 PHE N 16.169 0.617 . . 49 86 SER N 12.597 0.611 . . 50 87 GLY N 13.614 0.337 . . 51 88 GLU N 14.052 0.918 . . 52 89 GLY N 13.797 0.354 . . 53 92 LEU N 13.866 0.398 . . 54 93 VAL N 13.630 0.496 . . 55 94 PHE N 14.092 0.449 . . 56 96 ILE N 14.933 0.549 . . 57 97 THR N 14.676 0.476 . . 58 98 GLU N 15.704 0.309 . . 59 101 SER N 14.205 0.388 . . 60 102 PHE N 15.271 0.507 . . 61 104 ALA N 14.675 0.249 . . 62 105 THR N 14.599 0.311 . . 63 107 GLU N 13.444 0.249 . . 64 108 PHE N 14.426 0.336 . . 65 110 GLU N 15.676 0.313 . . 66 111 GLN N 15.604 0.390 . . 67 112 ILE N 14.845 0.479 . . 68 113 LEU N 15.563 0.452 . . 69 114 ARG N 14.688 0.276 . . 70 115 VAL N 16.416 0.472 . . 71 116 LYS N 13.790 0.343 . . 72 117 ALA N 11.093 0.198 . . 73 118 GLU N 12.092 0.247 . . 74 120 ASP N 10.254 0.287 . . 75 121 LYS N 9.864 0.141 . . 76 122 ILE N 10.496 0.307 . . 77 124 LEU N 12.890 0.322 . . 78 126 VAL N 12.560 0.311 . . 79 127 VAL N 12.892 0.428 . . 80 128 GLY N 13.840 0.561 . . 81 129 ASN N 13.381 0.387 . . 82 130 LYS N 14.597 0.596 . . 83 131 SER N 15.240 0.504 . . 84 132 ASP N 14.896 0.466 . . 85 133 LEU N 14.713 0.394 . . 86 134 GLU N 12.779 0.203 . . 87 135 GLU N 14.401 0.406 . . 88 136 ARG N 13.848 0.327 . . 89 137 ARG N 13.675 0.271 . . 90 138 GLN N 16.369 1.441 . . 91 139 VAL N 13.296 0.558 . . 92 141 VAL N 14.218 0.415 . . 93 143 GLU N 13.795 0.390 . . 94 144 ALA N 13.956 0.362 . . 95 145 ARG N 15.236 0.321 . . 96 146 SER N 15.081 0.250 . . 97 147 LYS N 14.961 0.274 . . 98 148 ALA N 14.967 0.265 . . 99 149 GLU N 15.162 0.272 . . 100 150 GLU N 14.433 0.257 . . 101 152 GLY N 14.480 0.368 . . 102 153 VAL N 14.415 0.300 . . 103 154 GLN N 13.721 0.342 . . 104 156 VAL N 13.034 0.331 . . 105 159 SER N 13.676 0.409 . . 106 160 ALA N 13.968 0.454 . . 107 161 LYS N 14.434 0.448 . . 108 162 THR N 13.190 0.480 . . 109 163 ARG N 14.849 0.432 . . 110 164 ALA N 12.740 0.216 . . 111 165 ASN N 13.492 0.434 . . 112 166 VAL N 14.554 0.305 . . 113 167 ASP N 13.901 0.287 . . 114 168 LYS N 14.697 0.301 . . 115 169 VAL N 14.481 0.355 . . 116 170 PHE N 14.297 0.405 . . 117 171 PHE N 14.895 0.410 . . 118 172 ASP N 15.269 0.369 . . 119 173 LEU N 14.563 0.321 . . 120 174 MET N 14.829 0.354 . . 121 176 GLU N 14.691 0.299 . . 122 177 ILE N 14.259 0.481 . . 123 179 THR N 15.480 0.401 . . 124 180 LYS N 14.377 0.355 . . 125 181 LYS N 14.660 0.525 . . 126 182 MET N 14.474 0.354 . . 127 183 SER N 11.734 0.200 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name RalB _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1.0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 14 ALA 0.537 0.081 16 HIS 0.732 0.064 17 LYS 0.891 0.074 18 VAL 0.771 0.062 19 ILE 0.837 0.071 20 MET 0.889 0.084 21 VAL 0.819 0.050 22 GLY 0.488 0.091 24 GLY 0.851 0.067 25 GLY 0.708 0.110 26 VAL 0.940 0.066 27 GLY 0.694 0.057 28 LYS 0.901 0.109 29 SER 0.896 0.082 31 LEU 0.834 0.052 32 THR 0.756 0.064 33 LEU 0.854 0.109 34 GLN 0.820 0.058 36 MET 0.677 0.063 37 TYR 0.833 0.056 38 ASP 0.873 0.051 39 GLU 0.778 0.048 40 PHE 0.644 0.040 41 VAL 0.758 0.082 42 GLU 0.669 0.061 52 TYR 0.826 0.068 53 ARG 0.764 0.044 54 LYS 0.757 0.049 55 LYS 0.751 0.043 56 VAL 0.738 0.044 57 VAL 0.774 0.040 58 LEU 0.860 0.060 60 GLY 0.821 0.064 61 GLU 0.813 0.037 62 GLU 0.745 0.045 63 VAL 0.766 0.069 64 GLN 0.769 0.054 65 ILE 0.782 0.060 66 ASP 0.758 0.063 67 ILE 0.788 0.061 68 LEU 0.797 0.065 73 LEU 0.792 0.063 78 ALA 0.664 0.079 79 ILE 0.755 0.063 81 ASP 0.766 0.065 82 ASN 0.778 0.124 83 TYR 0.838 0.125 84 PHE 0.695 0.062 86 SER 0.612 0.068 87 GLY 0.776 0.056 88 GLU 0.766 0.087 89 GLY 0.783 0.046 92 LEU 0.727 0.056 93 VAL 0.832 0.061 94 PHE 0.892 0.063 96 ILE 0.881 0.069 97 THR 0.803 0.058 98 GLU 0.789 0.039 101 SER 0.924 0.066 102 PHE 0.956 0.072 104 ALA 0.838 0.039 105 THR 0.802 0.047 107 GLU 0.829 0.045 108 PHE 0.842 0.054 110 GLU 0.817 0.047 111 GLN 0.749 0.046 112 ILE 0.824 0.064 113 LEU 0.813 0.056 114 ARG 0.751 0.041 115 VAL 0.751 0.059 116 LYS 0.797 0.051 117 ALA 0.572 0.035 118 GLU 0.615 0.040 120 ASP 0.522 0.045 121 LYS 0.502 0.026 122 ILE 0.553 0.050 124 LEU 0.795 0.050 126 VAL 0.703 0.043 127 VAL 0.820 0.058 128 GLY 0.788 0.070 129 ASN 0.807 0.052 130 LYS 0.769 0.069 131 SER 0.851 0.058 132 ASP 0.806 0.056 133 LEU 0.813 0.054 134 GLU 0.781 0.038 135 GLU 0.852 0.057 136 ARG 0.824 0.050 137 ARG 0.902 0.044 138 GLN 0.736 0.104 139 VAL 0.690 0.060 141 VAL 0.765 0.050 143 GLU 0.737 0.046 144 ALA 0.882 0.056 145 ARG 0.750 0.041 146 SER 0.783 0.038 147 LYS 0.881 0.048 148 ALA 0.773 0.039 149 GLU 0.729 0.036 150 GLU 0.730 0.035 152 GLY 0.764 0.043 153 VAL 0.804 0.044 154 GLN 0.793 0.049 156 VAL 0.855 0.054 159 SER 0.859 0.061 160 ALA 0.820 0.060 161 LYS 0.870 0.068 162 THR 0.844 0.069 163 ARG 0.825 0.056 164 ALA 0.791 0.037 165 ASN 0.787 0.052 166 VAL 0.813 0.046 167 ASP 0.770 0.040 168 LYS 0.805 0.042 169 VAL 0.733 0.047 170 PHE 0.808 0.053 171 PHE 0.797 0.049 172 ASP 0.825 0.044 173 LEU 0.831 0.044 174 MET 0.826 0.045 176 GLU 0.827 0.043 177 ILE 0.840 0.065 179 THR 0.806 0.054 180 LYS 0.801 0.055 181 LYS 0.759 0.067 182 MET 0.828 0.064 183 SER 0.578 0.036 stop_ save_ save_order_parameter_list_1 _Saveframe_category S2_parameters _Details 'Model-free analysis (anisotropic model of internal motion) in Tensor2 (Dosset et al., 2000)' loop_ _Software_label $Tensor2 stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name RalB _Tau_e_value_units s _Tau_s_value_units s _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 14 ALA N 4 0.8659 0.0444 1.3503e-10 2.2476e-10 1.0000 0.0000 . . . . . . . . 16 HIS N 1 0.9048 0.0253 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 17 LYS N 1 0.8829 0.0272 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 18 VAL N 1 0.8787 0.0331 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 19 ILE N 1 0.9015 0.0235 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 20 MET N 1 0.8836 0.0317 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 21 VAL N 1 0.8883 0.0203 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 22 GLY N 2 0.6497 0.0450 1.5740e-09 3.6399e-10 1.0000 0.0000 . . . . . . . . 24 GLY N 1 0.9438 0.0226 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 25 GLY N 1 0.9625 0.0541 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 26 VAL N 6 0.8145 0.0000 1.1675e-08 4.8280e-09 0.8931 0.0274 0.9120 0.0383 . . . . . . 27 GLY N 1 0.9199 0.0285 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 28 LYS N 1 0.9530 0.0511 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 29 SER N 1 1.0000 0.0248 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 31 LEU N 1 0.9148 0.0194 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 32 THR N 1 0.9001 0.0320 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 33 LEU N 1 0.9972 0.0388 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 34 GLN N 1 0.9865 0.0204 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 36 MET N 1 0.9269 0.0340 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 37 TYR N 1 0.8832 0.0248 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 38 ASP N 1 0.9329 0.0186 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 39 GLU N 1 0.9238 0.0180 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 40 PHE N 2 0.7731 0.0152 4.0695e-11 1.1355e-11 1.0000 0.0000 . . . . . . . . 41 VAL N 1 0.8951 0.0367 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 42 GLU N 2 0.8768 0.0270 7.4441e-11 2.7201e-10 1.0000 0.0000 . . . . . . . . 52 TYR N 1 1.0000 0.0199 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 53 ARG N 1 0.8789 0.0165 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 54 LYS N 1 0.8998 0.0175 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 55 LYS N 1 0.8409 0.0162 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 56 VAL N 1 0.8754 0.0197 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 57 VAL N 1 0.8032 0.0127 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 58 LEU N 1 0.8496 0.0266 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 60 GLY N 1 0.9091 0.0267 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 61 GLU N 1 0.8781 0.0128 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 62 GLU N 1 0.8034 0.0135 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 63 VAL N 1 0.8717 0.0255 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 64 GLN N 1 0.8616 0.0196 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 65 ILE N 1 0.9474 0.0280 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 66 ASP N 1 0.8813 0.0345 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 67 ILE N 1 0.8610 0.0309 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 68 LEU N 1 0.8786 0.0304 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 73 LEU N 1 0.9741 0.0220 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 78 ALA N 1 0.8708 0.0456 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 79 ILE N 1 0.9114 0.0205 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 81 ASP N 1 0.9158 0.0265 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 82 ASN N 1 1.0000 0.0493 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 83 TYR N 1 0.9857 0.0505 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 84 PHE N 4 0.8642 0.0525 4.7916e-11 1.2694e-10 1.0000 0.0000 . . . . . . . . 86 SER N 2 0.7925 0.0333 5.1359e-11 2.2310e-11 1.0000 0.0000 . . . . . . . . 87 GLY N 1 0.8803 0.0179 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 88 GLU N 1 0.8708 0.0502 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 89 GLY N 1 0.8758 0.0200 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 92 LEU N 1 0.8921 0.0231 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 93 VAL N 1 0.8883 0.0297 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 94 PHE N 1 0.9424 0.0253 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 96 ILE N 1 0.9520 0.0272 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 97 THR N 1 0.9314 0.0269 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 98 GLU N 1 0.9516 0.0144 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 101 SER N 1 0.8780 0.0201 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 102 PHE N 1 0.9174 0.0275 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 104 ALA N 1 0.9059 0.0121 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 105 THR N 1 0.8982 0.0153 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 107 GLU N 1 0.8361 0.0131 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 108 PHE N 1 0.8831 0.0144 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 110 GLU N 1 0.9260 0.0174 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 111 GLN N 1 0.9380 0.0203 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 112 ILE N 1 0.9033 0.0280 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 113 LEU N 1 0.9309 0.0232 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 114 ARG N 1 0.8851 0.0168 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 115 VAL N 1 0.9907 0.0158 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 116 LYS N 1 0.8489 0.0180 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 117 ALA N 5 0.6998 0.0000 1.3031e-09 1.7165e-10 0.8542 0.0172 0.8192 0.0191 . . . . . . 118 GLU N 5 0.7475 0.0000 1.4375e-09 2.8313e-10 0.8913 0.0172 0.8387 0.0207 . . . . . . 120 ASP N 5 0.6341 0.0000 1.2123e-09 2.2504e-10 0.7951 0.0203 0.7975 0.0323 . . . . . . 121 LYS N 5 0.6124 0.0000 1.3122e-09 1.0362e-10 0.8088 0.0125 0.7572 0.0174 . . . . . . 122 ILE N 5 0.6577 0.0000 1.3640e-09 2.2433e-10 0.8309 0.0255 0.7916 0.0276 . . . . . . 124 LEU N 1 0.8631 0.0180 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 126 VAL N 2 0.8341 0.0167 3.7249e-11 1.5088e-11 1.0000 0.0000 . . . . . . . . 127 VAL N 1 0.8678 0.0259 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 128 GLY N 1 0.9006 0.0311 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 129 ASN N 1 0.8893 0.0236 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 130 LYS N 1 0.9054 0.0377 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 131 SER N 1 0.9176 0.0279 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 132 ASP N 1 0.9543 0.0228 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 133 LEU N 1 0.9044 0.0200 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 134 GLU N 1 0.8170 0.0112 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 135 GLU N 1 0.9192 0.0232 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 136 ARG N 1 0.8549 0.0184 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 137 ARG N 1 0.9080 0.0161 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 138 GLN N 1 0.9859 0.0430 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 139 VAL N 1 0.8471 0.0324 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 141 VAL N 1 0.8890 0.0206 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 143 GLU N 1 0.8585 0.0187 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 144 ALA N 1 0.8979 0.0195 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 145 ARG N 1 0.9223 0.0152 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 146 SER N 1 0.9063 0.0125 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 147 LYS N 1 0.9273 0.0144 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 148 ALA N 1 0.9194 0.0153 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 149 GLU N 1 0.9080 0.0136 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 150 GLU N 1 0.8843 0.0140 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 152 GLY N 1 0.8834 0.0209 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 153 VAL N 1 0.8797 0.0153 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 154 GLN N 1 0.8538 0.0193 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 156 VAL N 1 0.8583 0.0184 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 159 SER N 1 0.8667 0.0238 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 160 ALA N 1 0.9073 0.0261 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 161 LYS N 1 0.8908 0.0257 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 162 THR N 1 0.8534 0.0260 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 163 ARG N 1 0.9484 0.0231 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 164 ALA N 1 0.7792 0.0121 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 165 ASN N 5 0.8032 0.0000 4.9825e-09 4.3765e-09 0.8908 0.0274 0.9016 0.0557 . . . . . . 166 VAL N 1 0.9226 0.0174 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 167 ASP N 1 0.8658 0.0142 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 168 LYS N 1 0.8955 0.0155 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 169 VAL N 1 0.8998 0.0179 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 170 PHE N 1 0.8733 0.0237 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 171 PHE N 1 0.8985 0.0222 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 172 ASP N 1 0.9343 0.0191 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 173 LEU N 1 0.9094 0.0184 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 174 MET N 1 0.9112 0.0166 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 176 GLU N 1 0.9030 0.0156 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 177 ILE N 1 0.8999 0.0273 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 179 THR N 1 0.9215 0.0183 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 180 LYS N 1 0.8976 0.0189 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 181 LYS N 1 0.9177 0.0282 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 182 MET N 1 0.8968 0.0185 0.0000e+00 0.0000e+00 1.0000 0.0000 . . . . . . . . 183 SER N 5 0.6959 0.0185 1.5157e-09 2.4062e-10 0.8755 0.0150 0.7948 0.0185 . . . . . . stop_ save_