data_6655 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the N-terminal Zinc Fingers of the Xenopus laevis double stranded RNA binding protein ZFa ; _BMRB_accession_number 6655 _BMRB_flat_file_name bmr6655.str _Entry_type original _Submission_date 2005-06-06 _Accession_date 2005-06-06 _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 Wright Peter E. . 2 Moller Heiko M. . 3 Martinez-Yamout Maria A. . 4 Dyson H. Jane . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 699 "13C chemical shifts" 528 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-11-01 original author . stop_ _Original_release_date 2005-11-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the N-terminal Zinc Fingers of the Xenopus laevis double-stranded RNA-binding Protein ZFa. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16051273 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moller Heiko M. . 2 Martinez-Yamout Maria A. . 3 Dyson H. Jane . 4 Wright Peter E. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 351 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 718 _Page_last 730 _Year 2005 _Details . loop_ _Keyword helix-loop-helix helix-turn-helix JAZ NMR PAG608 wig-1 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zinc finger domains 1 and 2 of dsRBP-ZFa' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label dsRBP-ZFa $zinc_finger_protein 'Zinc ion, I' $ZN 'Zinc ion, II' $ZN stop_ _System_molecular_weight 14176.8 _System_physical_state native _System_oligomer_state 'protein-ligand system' _System_paramagnetic no _System_thiol_state 'other bound and free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 dsRBP-ZFa stop_ loop_ _Biological_function 'dsRNA binding' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_zinc_finger_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common dsRBP-ZFa _Molecular_mass 14048.8 _Mol_thiol_state 'other bound and free' loop_ _Biological_function 'dsRNA binding' stop_ _Details ; Formula weight is 14048.8 without zinc and 14176.8 with two zinc ions bound. Finerty, P. J. & Bass, B. L. (1997), J. Mol. Biol. 271, 195-208. ; ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; ADEFGNGDALDLPVGKDAVN SLIRENSHIFSDTQCKVCSA VLISESQKLAHYQSRKHANK VRRYMAINQGEDSVPAKKFK AAPAEISDGEDRSKCCPVCN MTFSSPVVAESHYIGKTHIK NLRLREQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 ALA 2 3 ASP 3 4 GLU 4 5 PHE 5 6 GLY 6 7 ASN 7 8 GLY 8 9 ASP 9 10 ALA 10 11 LEU 11 12 ASP 12 13 LEU 13 14 PRO 14 15 VAL 15 16 GLY 16 17 LYS 17 18 ASP 18 19 ALA 19 20 VAL 20 21 ASN 21 22 SER 22 23 LEU 23 24 ILE 24 25 ARG 25 26 GLU 26 27 ASN 27 28 SER 28 29 HIS 29 30 ILE 30 31 PHE 31 32 SER 32 33 ASP 33 34 THR 34 35 GLN 35 36 CYS 36 37 LYS 37 38 VAL 38 39 CYS 39 40 SER 40 41 ALA 41 42 VAL 42 43 LEU 43 44 ILE 44 45 SER 45 46 GLU 46 47 SER 47 48 GLN 48 49 LYS 49 50 LEU 50 51 ALA 51 52 HIS 52 53 TYR 53 54 GLN 54 55 SER 55 56 ARG 56 57 LYS 57 58 HIS 58 59 ALA 59 60 ASN 60 61 LYS 61 62 VAL 62 63 ARG 63 64 ARG 64 65 TYR 65 66 MET 66 67 ALA 67 68 ILE 68 69 ASN 69 70 GLN 70 71 GLY 71 72 GLU 72 73 ASP 73 74 SER 74 75 VAL 75 76 PRO 76 77 ALA 77 78 LYS 78 79 LYS 79 80 PHE 80 81 LYS 81 82 ALA 82 83 ALA 83 84 PRO 84 85 ALA 85 86 GLU 86 87 ILE 87 88 SER 88 89 ASP 89 90 GLY 90 91 GLU 91 92 ASP 92 93 ARG 93 94 SER 94 95 LYS 95 96 CYS 96 97 CYS 97 98 PRO 98 99 VAL 99 100 CYS 100 101 ASN 101 102 MET 102 103 THR 103 104 PHE 104 105 SER 105 106 SER 106 107 PRO 107 108 VAL 108 109 VAL 109 110 ALA 110 111 GLU 111 112 SER 112 113 HIS 113 114 TYR 114 115 ILE 115 116 GLY 116 117 LYS 117 118 THR 118 119 HIS 119 120 ILE 120 121 LYS 121 122 ASN 122 123 LEU 123 124 ARG 124 125 LEU 125 126 ARG 126 127 GLU 127 128 GLN 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 PDB 1ZU1 . . . . . . stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 10:36:42 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 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 $zinc_finger_protein 'Xenopus Laevis' 8355 Eukaryota Metazoa xenopus laevis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Vendor_name $zinc_finger_protein 'recombinant technology' 'E. coli' . . . 'T7 expression vector' pET21a Novagen stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-dsRBP-ZFa _Saveframe_category sample _Sample_type solution _Details 'Uniformly 15N-labeled protein in H2O/D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $zinc_finger_protein 1 mM '[U-98% 15N]' $ZN 2 mM . H2O 95 % . D2O 5 % . NaCl 100 mM . Tris 25 mM . DTT 2 mM . stop_ save_ save_15N-13C-H2O-dsRBP-ZFa _Saveframe_category sample _Sample_type solution _Details 'Uniformly 15N/13C-labeled protein in H2O/D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $zinc_finger_protein 1 mM '[U-98% 15N; U-98% 13C]' $ZN 2 mM . H2O 95 % . D2O 5 % . NaCl 100 mM . Tris 25 mM . DTT 2 mM . stop_ save_ save_15N-13C-D2O-dsRBP-ZFa _Saveframe_category sample _Sample_type solution _Details 'Uniformly 15N/13C-labeled protein in D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $zinc_finger_protein 1 mM '[U-98% 15N; U-98% 13C]' $ZN 2 mM . D2O 100 % . NaCl 100 mM . Tris 25 mM . DTT 2 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address NIH . . stop_ loop_ _Task processing stop_ _Details ; Delaglio, F., Grzesiek, S., Vuister, G. W., Guang, Z., Pfeifer, J., & Bax, A. (1995), J. Biomol. NMR 6, 277-293. ; save_ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task acquisition stop_ _Details 'versions 2.1 to 3.5 were used.' save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'One moon scientific' . . stop_ loop_ _Task analysis stop_ _Details 'Johnson, B. A. & Blevins, R. A. (1994), J. Biomol. NMR 4, 604-613.' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.5 loop_ _Vendor _Address _Electronic_address 'L.A. Systems' . . stop_ loop_ _Task analysis stop_ _Details 'Herrmann, T., Guntert, P., & Wuthrich, K. (2002), J. Mol. Biol. 319, 209-227.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_DRX600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_Bruker_DMX750 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_Bruker_Avance900 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $15N-dsRBP-ZFa save_ save_3D_1H15N_TOCSY_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_1H15N_TOCSY_HSQC _Sample_label $15N-dsRBP-ZFa save_ save_3D_1H15N_NOESY_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_1H15N_NOESY_HSQC _Sample_label $15N-dsRBP-ZFa save_ save_1H15N_2J_HMQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_2J_HMQC _Sample_label $15N-dsRBP-ZFa save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNHA _Sample_label $15N-dsRBP-ZFa save_ save_1H13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC _Sample_label $15N-13C-D2O-dsRBP-ZFa save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNCACB _Sample_label $15N-13C-H2O-dsRBP-ZFa save_ save_3D_CBCACONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_CBCACONH _Sample_label $15N-13C-H2O-dsRBP-ZFa save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNCO _Sample_label $15N-13C-H2O-dsRBP-ZFa save_ save_3D_HCCH_COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HCCH_COSY _Sample_label $15N-13C-D2O-dsRBP-ZFa save_ save_3D_HCCH_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HCCH_TOCSY _Sample_label $15N-13C-D2O-dsRBP-ZFa save_ save_3D_1H13C_NOESY_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_1H13C_NOESY_HSQC _Sample_label $15N-13C-D2O-dsRBP-ZFa save_ save_3D_HACAHB_COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HACAHB_COSY _Sample_label $15N-13C-D2O-dsRBP-ZFa save_ save_13C13CO_SED_CT_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name 13C13CO_SED_CT_HSQC _Sample_label $15N-13C-D2O-dsRBP-ZFa save_ save_13C15N_SED_CT_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name 13C15N_SED_CT_HSQC _Sample_label $15N-13C-D2O-dsRBP-ZFa save_ save_3D_HBHACBCACONH_16 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HBHACBCACONH _Sample_label $15N-13C-H2O-dsRBP-ZFa save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details 'Bodenhausen, G., Ruben, D. J., (1980), Chem. Phys. Lett. 69, 185-9.' save_ save_3D_1H15N_TOCSY_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 3D_1H15N_TOCSY_HSQC _BMRB_pulse_sequence_accession_number . _Details 'Fesik, S. W. & Zuiderweg, E. R. P. (1988), J. Magn. Reson. 78, 588-593.' save_ save_3D_1H15N_NOESY_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 3D_1H15N_NOESY_HSQC _BMRB_pulse_sequence_accession_number . _Details 'Fesik, S. W. & Zuiderweg, E. R. P. (1988), J. Magn. Reson. 78, 588-593.' save_ save_3D_1H13C_NOESY_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 3D_1H13C_NOESY_HSQC _BMRB_pulse_sequence_accession_number . _Details 'Fesik, S. W. & Zuiderweg, E. R. P. (1988), J. Magn. Reson. 78, 588-593.' save_ save_1H15N_2J_HMQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_2J_HMQC _BMRB_pulse_sequence_accession_number . _Details 'Pelton, J. G., Torchia, D. A., Meadow, N. D., & Roseman, S. (1993), Protein Sci. 2, 543-558.' save_ save_3D_HNHA _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNHA _BMRB_pulse_sequence_accession_number . _Details 'Vuister, G. W. & Bax, A. (1993), J. Am. Chem. Soc. 115, 7772-7777.' save_ save_3D_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNCACB _BMRB_pulse_sequence_accession_number . _Details 'Wittekind, M. & Mueller, L. (1993), J. Magn. Reson. 101, 201-205.' save_ save_1H13C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC _BMRB_pulse_sequence_accession_number . _Details 'Bodenhausen, G., Ruben, D. J., (1980), Chem. Phys. Lett. 69, 185-9.' save_ save_3D_CBCACONH _Saveframe_category NMR_applied_experiment _Experiment_name 3D_CBCACONH _BMRB_pulse_sequence_accession_number . _Details 'Grzesiek, S. & Bax, A. (1992), J. Am. Chem. Soc. 114, 6291-6293.' save_ save_3D_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNCO _BMRB_pulse_sequence_accession_number . _Details 'Kay, L. E., Ikura, M., Tschudin, R., and Bax, A., (1989), J. Magn. Reson. 89, 496-514.' save_ save_3D_HCCH_COSY _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HCCH_COSY _BMRB_pulse_sequence_accession_number . _Details 'Bax, A., Clore, G. M., & Gronenborn, A. M. (1990), J. Magn. Reson. 88, 425-431.' save_ save_3D_HCCH_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HCCH_TOCSY _BMRB_pulse_sequence_accession_number . _Details 'Gehring, K. & Ekiel, I. (1998), J. Magn. Reson. 135, 185-193.' save_ save_3D_HACAHB_COSY _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HACAHB_COSY _BMRB_pulse_sequence_accession_number . _Details 'Grzesiek, S., Kuboniwa, H., Hinck, A. P., & Bax, A. (1995), J. Am. Chem. Soc. 117, 5312-5315.' save_ save_13C13CO_SED_CT_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 13C13CO_SED_CT_HSQC _BMRB_pulse_sequence_accession_number . _Details 'Grzesiek, S., Vuister, G. W., & Bax, A. (1993), J. Biomol. NMR 3, 487-493.' save_ save_13C15N_SED_CT_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 13C15N_SED_CT_HSQC _BMRB_pulse_sequence_accession_number . _Details 'Vuister, G. W., Wang, A. C., & Bax, A. (1993), J. Am. Chem. Soc. 115, 5334-5335.' save_ save_3D_HBHACBCACONH _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HBHACBCACONH _BMRB_pulse_sequence_accession_number . _Details 'Grzesiek, S. & Bax, A. (1993), J. Biomol. NMR 3, 185-204.' save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 0.005 M pH 6.9 0.1 pH temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0 external direct cylindrical . parallel 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPIPE $XWINNMR $NMRVIEW $CYANA stop_ loop_ _Experiment_label 1H15N_HSQC 3D_1H15N_TOCSY_HSQC 3D_1H15N_NOESY_HSQC 3D_1H13C_NOESY_HSQC 1H15N_2J_HMQC 3D_HNHA 3D_HNCACB 1H13C_HSQC 3D_CBCACONH 3D_HNCO 3D_HCCH_COSY 3D_HCCH_TOCSY 3D_HACAHB_COSY 13C13CO_SED_CT_HSQC 13C15N_SED_CT_HSQC 3D_HBHACBCACONH stop_ loop_ _Sample_label $15N-dsRBP-ZFa $15N-13C-D2O-dsRBP-ZFa $15N-13C-H2O-dsRBP-ZFa stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name dsRBP-ZFa _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 1 ALA HA H 4.149 0.005 1 2 2 1 ALA HB H 1.541 0.005 1 3 2 1 ALA C C 180.258 0.12 1 4 2 1 ALA CA C 51.672 0.12 1 5 2 1 ALA CB C 19.272 0.12 1 6 3 2 ASP H H 8.468 0.005 1 7 3 2 ASP HA H 4.649 0.005 1 8 3 2 ASP HB2 H 2.706 0.005 1 9 3 2 ASP C C 176.184 0.12 1 10 3 2 ASP CA C 54.322 0.12 1 11 3 2 ASP CB C 41.159 0.12 1 12 3 2 ASP N N 121.166 0.12 1 13 4 3 GLU H H 8.679 0.005 1 14 4 3 GLU HA H 4.200 0.005 1 15 4 3 GLU HB2 H 1.879 0.005 2 16 4 3 GLU HB3 H 1.818 0.005 2 17 4 3 GLU HG2 H 2.062 0.005 2 18 4 3 GLU HG3 H 2.012 0.005 2 19 4 3 GLU C C 176.386 0.12 1 20 4 3 GLU CA C 57.171 0.12 1 21 4 3 GLU CB C 29.875 0.12 1 22 4 3 GLU CG C 35.972 0.12 1 23 4 3 GLU N N 121.121 0.12 1 24 5 4 PHE H H 8.348 0.005 1 25 5 4 PHE HA H 4.683 0.005 1 26 5 4 PHE HB2 H 3.281 0.005 1 27 5 4 PHE HB3 H 3.045 0.005 1 28 5 4 PHE HD1 H 7.280 0.005 1 29 5 4 PHE HE1 H 7.378 0.005 1 30 5 4 PHE HZ H 7.333 0.005 1 31 5 4 PHE C C 176.437 0.12 1 32 5 4 PHE CA C 57.674 0.12 1 33 5 4 PHE CB C 39.429 0.12 1 34 5 4 PHE CD1 C 131.903 0.12 1 35 5 4 PHE CE1 C 131.429 0.12 1 36 5 4 PHE CZ C 129.830 0.12 1 37 5 4 PHE N N 120.104 0.12 1 38 6 5 GLY H H 8.313 0.005 1 39 6 5 GLY HA2 H 4.032 0.005 2 40 6 5 GLY HA3 H 3.939 0.005 2 41 6 5 GLY C C 174.116 0.12 1 42 6 5 GLY CA C 45.403 0.12 1 43 6 5 GLY N N 109.821 0.12 1 44 7 6 ASN H H 8.436 0.005 1 45 7 6 ASN HA H 4.789 0.005 1 46 7 6 ASN HB2 H 2.886 0.005 2 47 7 6 ASN HB3 H 2.851 0.005 2 48 7 6 ASN HD21 H 7.743 0.005 2 49 7 6 ASN HD22 H 6.967 0.005 2 50 7 6 ASN C C 176.019 0.12 1 51 7 6 ASN CA C 53.207 0.12 1 52 7 6 ASN CB C 39.016 0.12 1 53 7 6 ASN N N 118.907 0.12 1 54 7 6 ASN ND2 N 113.233 0.12 1 55 8 7 GLY H H 8.553 0.005 1 56 8 7 GLY HA2 H 4.010 0.005 1 57 8 7 GLY C C 174.091 0.12 1 58 8 7 GLY CA C 45.413 0.12 1 59 8 7 GLY N N 109.657 0.12 1 60 9 8 ASP H H 8.245 0.005 1 61 9 8 ASP HA H 4.660 0.005 1 62 9 8 ASP HB2 H 2.688 0.005 1 63 9 8 ASP C C 176.113 0.12 1 64 9 8 ASP CA C 54.287 0.12 1 65 9 8 ASP CB C 41.560 0.12 1 66 9 8 ASP N N 120.510 0.12 1 67 10 9 ALA H H 8.252 0.005 1 68 10 9 ALA HA H 4.335 0.005 1 69 10 9 ALA HB H 1.409 0.005 1 70 10 9 ALA C C 177.518 0.12 1 71 10 9 ALA CA C 52.436 0.12 1 72 10 9 ALA CB C 19.023 0.12 1 73 10 9 ALA N N 123.815 0.12 1 74 11 10 LEU H H 8.150 0.005 1 75 11 10 LEU HA H 4.364 0.005 1 76 11 10 LEU HB2 H 1.663 0.005 2 77 11 10 LEU HB3 H 1.566 0.005 2 78 11 10 LEU HG H 1.661 0.005 1 79 11 10 LEU HD1 H 0.956 0.005 2 80 11 10 LEU HD2 H 0.891 0.005 2 81 11 10 LEU C C 176.828 0.12 1 82 11 10 LEU CA C 54.917 0.12 1 83 11 10 LEU CB C 42.532 0.12 1 84 11 10 LEU CG C 27.005 0.12 1 85 11 10 LEU CD1 C 25.262 0.12 2 86 11 10 LEU CD2 C 23.535 0.12 2 87 11 10 LEU N N 120.863 0.12 1 88 12 11 ASP H H 8.376 0.005 1 89 12 11 ASP HA H 4.645 0.005 1 90 12 11 ASP HB2 H 2.694 0.005 2 91 12 11 ASP HB3 H 2.643 0.005 2 92 12 11 ASP C C 175.470 0.12 1 93 12 11 ASP CA C 54.003 0.12 1 94 12 11 ASP CB C 41.141 0.12 1 95 12 11 ASP N N 121.065 0.12 1 96 13 12 LEU H H 7.959 0.005 1 97 13 12 LEU HA H 4.687 0.005 1 98 13 12 LEU HB2 H 1.625 0.005 2 99 13 12 LEU HB3 H 1.501 0.005 2 100 13 12 LEU HG H 1.661 0.005 1 101 13 12 LEU HD1 H 0.945 0.005 2 102 13 12 LEU HD2 H 0.824 0.005 2 103 13 12 LEU CA C 52.554 0.12 1 104 13 12 LEU CB C 41.529 0.12 1 105 13 12 LEU CG C 27.358 0.12 1 106 13 12 LEU CD1 C 25.363 0.12 2 107 13 12 LEU CD2 C 23.827 0.12 2 108 13 12 LEU N N 122.835 0.12 1 109 14 13 PRO HA H 4.487 0.005 1 110 14 13 PRO HB2 H 2.097 0.005 2 111 14 13 PRO HB3 H 1.678 0.005 2 112 14 13 PRO HG2 H 2.110 0.005 2 113 14 13 PRO HG3 H 1.997 0.005 2 114 14 13 PRO HD2 H 3.871 0.005 2 115 14 13 PRO HD3 H 3.788 0.005 2 116 14 13 PRO C C 176.481 0.12 1 117 14 13 PRO CA C 62.695 0.12 1 118 14 13 PRO CB C 31.875 0.12 1 119 14 13 PRO CG C 27.826 0.12 1 120 14 13 PRO CD C 50.447 0.12 1 121 15 14 VAL H H 8.178 0.005 1 122 15 14 VAL HA H 4.259 0.005 1 123 15 14 VAL HB H 2.010 0.005 1 124 15 14 VAL HG1 H 0.945 0.005 2 125 15 14 VAL HG2 H 0.956 0.005 2 126 15 14 VAL C C 176.511 0.12 1 127 15 14 VAL CA C 62.076 0.12 1 128 15 14 VAL CB C 33.568 0.12 1 129 15 14 VAL CG1 C 21.197 0.12 2 130 15 14 VAL CG2 C 20.630 0.12 2 131 15 14 VAL N N 120.656 0.12 1 132 16 15 GLY H H 8.393 0.005 1 133 16 15 GLY HA2 H 4.377 0.005 2 134 16 15 GLY HA3 H 3.885 0.005 2 135 16 15 GLY C C 173.413 0.12 1 136 16 15 GLY CA C 44.055 0.12 1 137 16 15 GLY N N 113.700 0.12 1 138 17 16 LYS H H 8.388 0.005 1 139 17 16 LYS HA H 3.815 0.005 1 140 17 16 LYS HB2 H 1.825 0.005 2 141 17 16 LYS HB3 H 1.877 0.005 2 142 17 16 LYS HG2 H 1.479 0.005 2 143 17 16 LYS HG3 H 1.425 0.005 2 144 17 16 LYS HD2 H 1.773 0.005 2 145 17 16 LYS HD3 H 1.726 0.005 2 146 17 16 LYS HE2 H 2.978 0.005 1 147 17 16 LYS CA C 59.742 0.12 1 148 17 16 LYS CB C 32.630 0.12 1 149 17 16 LYS CG C 24.486 0.12 1 150 17 16 LYS CD C 29.297 0.12 1 151 17 16 LYS CE C 41.986 0.12 1 152 17 16 LYS N N 119.100 0.12 1 153 18 17 ASP H H 8.453 0.005 1 154 18 17 ASP HA H 4.466 0.005 1 155 18 17 ASP HB2 H 2.718 0.005 1 156 18 17 ASP HB3 H 2.627 0.005 1 157 18 17 ASP C C 178.712 0.12 1 158 18 17 ASP CA C 57.475 0.12 1 159 18 17 ASP CB C 39.862 0.12 1 160 18 17 ASP N N 119.173 0.12 1 161 19 18 ALA H H 8.286 0.005 1 162 19 18 ALA HA H 4.178 0.005 1 163 19 18 ALA HB H 1.438 0.005 1 164 19 18 ALA C C 180.929 0.12 1 165 19 18 ALA CA C 54.603 0.12 1 166 19 18 ALA CB C 18.759 0.12 1 167 19 18 ALA N N 123.667 0.12 1 168 20 19 VAL H H 7.973 0.005 1 169 20 19 VAL HA H 3.406 0.005 1 170 20 19 VAL HB H 2.079 0.005 1 171 20 19 VAL HG1 H 0.994 0.005 1 172 20 19 VAL HG2 H 0.810 0.005 1 173 20 19 VAL C C 176.601 0.12 1 174 20 19 VAL CA C 66.634 0.12 1 175 20 19 VAL CB C 31.572 0.12 1 176 20 19 VAL CG1 C 23.934 0.12 1 177 20 19 VAL CG2 C 22.846 0.12 1 178 20 19 VAL N N 119.673 0.12 1 179 21 20 ASN H H 8.514 0.005 1 180 21 20 ASN HA H 4.478 0.005 1 181 21 20 ASN HB2 H 2.945 0.005 2 182 21 20 ASN HB3 H 2.756 0.005 2 183 21 20 ASN HD21 H 7.729 0.005 2 184 21 20 ASN HD22 H 7.170 0.005 2 185 21 20 ASN C C 178.756 0.12 1 186 21 20 ASN CA C 55.895 0.12 1 187 21 20 ASN CB C 37.043 0.12 1 188 21 20 ASN N N 118.303 0.12 1 189 21 20 ASN ND2 N 111.950 0.12 1 190 22 21 SER H H 8.228 0.005 1 191 22 21 SER HA H 4.233 0.005 1 192 22 21 SER HB2 H 3.996 0.005 2 193 22 21 SER HB3 H 3.951 0.005 2 194 22 21 SER C C 175.219 0.12 1 195 22 21 SER CA C 61.903 0.12 1 196 22 21 SER CB C 62.645 0.12 1 197 22 21 SER N N 116.762 0.12 1 198 23 22 LEU H H 7.664 0.005 1 199 23 22 LEU HA H 4.149 0.005 1 200 23 22 LEU HB2 H 1.902 0.005 2 201 23 22 LEU HB3 H 1.764 0.005 2 202 23 22 LEU HG H 1.818 0.005 1 203 23 22 LEU HD1 H 0.962 0.005 2 204 23 22 LEU HD2 H 0.803 0.005 2 205 23 22 LEU C C 179.872 0.12 1 206 23 22 LEU CA C 58.163 0.12 1 207 23 22 LEU CB C 42.180 0.12 1 208 23 22 LEU CG C 26.303 0.12 1 209 23 22 LEU CD1 C 24.777 0.12 2 210 23 22 LEU CD2 C 25.718 0.12 2 211 23 22 LEU N N 123.176 0.12 1 212 24 23 ILE H H 7.802 0.005 1 213 24 23 ILE HA H 3.643 0.005 1 214 24 23 ILE HB H 1.707 0.005 1 215 24 23 ILE HG12 H 0.142 0.005 2 216 24 23 ILE HG13 H 1.216 0.005 2 217 24 23 ILE HG2 H 0.762 0.005 1 218 24 23 ILE HD1 H 0.569 0.005 1 219 24 23 ILE C C 177.380 0.12 1 220 24 23 ILE CA C 65.351 0.12 1 221 24 23 ILE CB C 38.603 0.12 1 222 24 23 ILE CG1 C 28.882 0.12 1 223 24 23 ILE CG2 C 16.883 0.12 1 224 24 23 ILE CD1 C 15.175 0.12 1 225 24 23 ILE N N 119.563 0.12 1 226 25 24 ARG H H 7.772 0.005 1 227 25 24 ARG HA H 4.086 0.005 1 228 25 24 ARG HB2 H 2.009 0.005 1 229 25 24 ARG HG2 H 1.813 0.005 1 230 25 24 ARG HG3 H 1.722 0.005 1 231 25 24 ARG HD2 H 3.281 0.005 1 232 25 24 ARG C C 179.283 0.12 1 233 25 24 ARG CA C 58.997 0.12 1 234 25 24 ARG CB C 30.293 0.12 1 235 25 24 ARG CG C 27.610 0.12 1 236 25 24 ARG CD C 43.319 0.12 1 237 25 24 ARG N N 117.769 0.12 1 238 26 25 GLU H H 8.060 0.005 1 239 26 25 GLU HA H 4.321 0.005 1 240 26 25 GLU HB2 H 2.233 0.005 2 241 26 25 GLU HB3 H 2.105 0.005 2 242 26 25 GLU HG2 H 2.519 0.005 2 243 26 25 GLU HG3 H 2.440 0.005 2 244 26 25 GLU C C 176.540 0.12 1 245 26 25 GLU CA C 57.359 0.12 1 246 26 25 GLU CB C 30.399 0.12 1 247 26 25 GLU CG C 36.501 0.12 1 248 26 25 GLU N N 115.853 0.12 1 249 27 26 ASN H H 7.660 0.005 1 250 27 26 ASN HA H 5.340 0.005 1 251 27 26 ASN HB2 H 2.712 0.005 1 252 27 26 ASN HB3 H 2.217 0.005 1 253 27 26 ASN HD21 H 7.409 0.005 2 254 27 26 ASN HD22 H 8.229 0.005 2 255 27 26 ASN C C 175.953 0.12 1 256 27 26 ASN CA C 52.287 0.12 1 257 27 26 ASN CB C 40.784 0.12 1 258 27 26 ASN N N 119.357 0.12 1 259 27 26 ASN ND2 N 116.624 0.12 1 260 28 27 SER H H 8.117 0.005 1 261 28 27 SER HA H 4.897 0.005 1 262 28 27 SER HB2 H 4.191 0.005 2 263 28 27 SER HB3 H 4.166 0.005 2 264 28 27 SER C C 174.936 0.12 1 265 28 27 SER CA C 61.227 0.12 1 266 28 27 SER CB C 63.543 0.12 1 267 28 27 SER N N 117.233 0.12 1 268 29 28 HIS H H 9.113 0.005 1 269 29 28 HIS HA H 4.633 0.005 1 270 29 28 HIS HB2 H 3.208 0.005 2 271 29 28 HIS HB3 H 3.112 0.005 2 272 29 28 HIS HD2 H 7.111 0.005 1 273 29 28 HIS HE1 H 8.134 0.005 1 274 29 28 HIS C C 176.218 0.12 1 275 29 28 HIS CA C 57.594 0.12 1 276 29 28 HIS CB C 29.683 0.12 1 277 29 28 HIS CD2 C 118.689 0.12 1 278 29 28 HIS CE1 C 138.984 0.12 1 279 29 28 HIS N N 119.920 0.12 1 280 29 28 HIS ND1 N 240.606 0.12 1 281 29 28 HIS NE2 N 168.428 0.12 1 282 30 29 ILE H H 6.993 0.005 1 283 30 29 ILE HA H 4.447 0.005 1 284 30 29 ILE HB H 1.453 0.005 1 285 30 29 ILE HG12 H 0.039 0.005 2 286 30 29 ILE HG13 H -0.350 0.005 2 287 30 29 ILE HG2 H 0.528 0.005 1 288 30 29 ILE HD1 H 0.230 0.005 1 289 30 29 ILE C C 173.608 0.12 1 290 30 29 ILE CA C 61.977 0.12 1 291 30 29 ILE CB C 40.773 0.12 1 292 30 29 ILE CG1 C 24.255 0.12 1 293 30 29 ILE CG2 C 18.486 0.12 1 294 30 29 ILE CD1 C 13.352 0.12 1 295 30 29 ILE N N 112.303 0.12 1 296 31 30 PHE H H 8.123 0.005 1 297 31 30 PHE HA H 5.808 0.005 1 298 31 30 PHE HB2 H 3.370 0.005 1 299 31 30 PHE HB3 H 3.066 0.005 1 300 31 30 PHE HD1 H 7.634 0.005 1 301 31 30 PHE HE1 H 7.412 0.005 1 302 31 30 PHE HZ H 7.338 0.005 1 303 31 30 PHE C C 173.936 0.12 1 304 31 30 PHE CA C 53.284 0.12 1 305 31 30 PHE CB C 41.833 0.12 1 306 31 30 PHE CD1 C 132.390 0.12 1 307 31 30 PHE CE1 C 130.833 0.12 1 308 31 30 PHE CZ C 129.454 0.12 1 309 31 30 PHE N N 121.746 0.12 1 310 32 31 SER H H 8.469 0.005 1 311 32 31 SER HA H 4.918 0.005 1 312 32 31 SER HB2 H 4.390 0.005 1 313 32 31 SER HB3 H 4.104 0.005 1 314 32 31 SER C C 174.503 0.12 1 315 32 31 SER CA C 56.265 0.12 1 316 32 31 SER CB C 67.288 0.12 1 317 32 31 SER N N 114.699 0.12 1 318 33 32 ASP H H 8.918 0.005 1 319 33 32 ASP HA H 4.419 0.005 1 320 33 32 ASP HB2 H 2.729 0.005 1 321 33 32 ASP C C 176.101 0.12 1 322 33 32 ASP CA C 57.217 0.12 1 323 33 32 ASP CB C 41.545 0.12 1 324 33 32 ASP N N 118.986 0.12 1 325 34 33 THR H H 7.762 0.005 1 326 34 33 THR HA H 5.029 0.005 1 327 34 33 THR HB H 4.518 0.005 1 328 34 33 THR HG2 H 1.199 0.005 1 329 34 33 THR C C 176.089 0.12 1 330 34 33 THR CA C 60.877 0.12 1 331 34 33 THR CB C 70.272 0.12 1 332 34 33 THR CG2 C 21.665 0.12 1 333 34 33 THR N N 102.251 0.12 1 334 35 34 GLN H H 7.774 0.005 1 335 35 34 GLN HA H 5.074 0.005 1 336 35 34 GLN HB2 H 2.004 0.005 2 337 35 34 GLN HB3 H 1.895 0.005 2 338 35 34 GLN HG2 H 2.089 0.005 2 339 35 34 GLN HG3 H 1.941 0.005 2 340 35 34 GLN HE21 H 7.213 0.005 2 341 35 34 GLN HE22 H 6.814 0.005 2 342 35 34 GLN C C 173.536 0.12 1 343 35 34 GLN CA C 55.539 0.12 1 344 35 34 GLN CB C 32.306 0.12 1 345 35 34 GLN CG C 33.745 0.12 1 346 35 34 GLN N N 123.559 0.12 1 347 35 34 GLN NE2 N 110.674 0.12 1 348 36 35 CYS H H 8.472 0.005 1 349 36 35 CYS HA H 5.338 0.005 1 350 36 35 CYS HB2 H 2.625 0.005 2 351 36 35 CYS HB3 H 2.565 0.005 2 352 36 35 CYS C C 177.686 0.12 1 353 36 35 CYS CA C 58.417 0.12 1 354 36 35 CYS CB C 31.209 0.12 1 355 36 35 CYS N N 127.160 0.12 1 356 37 36 LYS H H 9.353 0.005 1 357 37 36 LYS HA H 4.273 0.005 1 358 37 36 LYS HB2 H 2.025 0.005 2 359 37 36 LYS HB3 H 1.993 0.005 2 360 37 36 LYS HG2 H 1.392 0.005 2 361 37 36 LYS HG3 H 1.594 0.005 2 362 37 36 LYS HD2 H 1.753 0.005 2 363 37 36 LYS HD3 H 1.766 0.005 2 364 37 36 LYS HE2 H 2.981 0.005 1 365 37 36 LYS C C 178.533 0.12 1 366 37 36 LYS CA C 59.318 0.12 1 367 37 36 LYS CB C 32.796 0.12 1 368 37 36 LYS CG C 26.237 0.12 1 369 37 36 LYS CD C 29.347 0.12 1 370 37 36 LYS CE C 41.986 0.12 1 371 37 36 LYS N N 127.307 0.12 1 372 38 37 VAL H H 7.708 0.005 1 373 38 37 VAL HA H 3.589 0.005 1 374 38 37 VAL HB H 2.060 0.005 1 375 38 37 VAL HG1 H 0.777 0.005 1 376 38 37 VAL HG2 H 0.507 0.005 1 377 38 37 VAL C C 178.065 0.12 1 378 38 37 VAL CA C 65.842 0.12 1 379 38 37 VAL CB C 32.316 0.12 1 380 38 37 VAL CG1 C 21.788 0.12 1 381 38 37 VAL CG2 C 23.062 0.12 1 382 38 37 VAL N N 119.468 0.12 1 383 39 38 CYS H H 8.702 0.005 1 384 39 38 CYS HA H 4.146 0.005 1 385 39 38 CYS HB2 H 3.311 0.005 1 386 39 38 CYS HB3 H 2.661 0.005 1 387 39 38 CYS C C 175.513 0.12 1 388 39 38 CYS CA C 60.702 0.12 1 389 39 38 CYS CB C 30.873 0.12 1 390 39 38 CYS N N 121.043 0.12 1 391 40 39 SER H H 7.806 0.005 1 392 40 39 SER HA H 3.973 0.005 1 393 40 39 SER HB2 H 4.128 0.005 2 394 40 39 SER HB3 H 4.047 0.005 2 395 40 39 SER C C 173.120 0.12 1 396 40 39 SER CA C 58.655 0.12 1 397 40 39 SER CB C 61.162 0.12 1 398 40 39 SER N N 114.566 0.12 1 399 41 40 ALA H H 7.614 0.005 1 400 41 40 ALA HA H 4.673 0.005 1 401 41 40 ALA HB H 0.785 0.005 1 402 41 40 ALA C C 175.735 0.12 1 403 41 40 ALA CA C 49.861 0.12 1 404 41 40 ALA CB C 21.449 0.12 1 405 41 40 ALA N N 120.761 0.12 1 406 42 41 VAL H H 8.449 0.005 1 407 42 41 VAL HA H 4.160 0.005 1 408 42 41 VAL HB H 1.935 0.005 1 409 42 41 VAL HG1 H 0.919 0.005 1 410 42 41 VAL HG2 H 0.926 0.005 1 411 42 41 VAL C C 175.138 0.12 1 412 42 41 VAL CA C 62.376 0.12 1 413 42 41 VAL CB C 32.383 0.12 1 414 42 41 VAL CG1 C 21.049 0.12 1 415 42 41 VAL CG2 C 21.049 0.12 1 416 42 41 VAL N N 124.527 0.12 1 417 43 42 LEU H H 8.205 0.005 1 418 43 42 LEU HA H 4.713 0.005 1 419 43 42 LEU HB2 H 1.928 0.005 1 420 43 42 LEU HB3 H 0.838 0.005 1 421 43 42 LEU HG H 1.176 0.005 1 422 43 42 LEU HD1 H 0.562 0.005 1 423 43 42 LEU HD2 H 0.292 0.005 1 424 43 42 LEU C C 176.808 0.12 1 425 43 42 LEU CA C 52.730 0.12 1 426 43 42 LEU CB C 41.483 0.12 1 427 43 42 LEU CG C 26.215 0.12 1 428 43 42 LEU CD1 C 26.126 0.12 1 429 43 42 LEU CD2 C 23.120 0.12 1 430 43 42 LEU N N 128.707 0.12 1 431 44 43 ILE H H 8.279 0.005 1 432 44 43 ILE HA H 4.362 0.005 1 433 44 43 ILE HB H 2.176 0.005 1 434 44 43 ILE HG12 H 1.352 0.005 2 435 44 43 ILE HG13 H 1.307 0.005 2 436 44 43 ILE HG2 H 0.942 0.005 1 437 44 43 ILE HD1 H 0.894 0.005 1 438 44 43 ILE C C 175.472 0.12 1 439 44 43 ILE CA C 61.764 0.12 1 440 44 43 ILE CB C 38.991 0.12 1 441 44 43 ILE CG1 C 26.621 0.12 1 442 44 43 ILE CG2 C 18.115 0.12 1 443 44 43 ILE CD1 C 13.703 0.12 1 444 44 43 ILE N N 116.744 0.12 1 445 45 44 SER H H 7.493 0.005 1 446 45 44 SER HA H 4.820 0.005 1 447 45 44 SER HB2 H 4.298 0.005 2 448 45 44 SER HB3 H 3.952 0.005 2 449 45 44 SER C C 174.288 0.12 1 450 45 44 SER CA C 55.979 0.12 1 451 45 44 SER CB C 66.678 0.12 1 452 45 44 SER N N 113.180 0.12 1 453 46 45 GLU H H 9.180 0.005 1 454 46 45 GLU HA H 4.157 0.005 1 455 46 45 GLU HB2 H 2.220 0.005 2 456 46 45 GLU HB3 H 2.102 0.005 2 457 46 45 GLU HG2 H 2.345 0.005 2 458 46 45 GLU HG3 H 2.292 0.005 2 459 46 45 GLU C C 178.438 0.12 1 460 46 45 GLU CA C 59.585 0.12 1 461 46 45 GLU CB C 29.349 0.12 1 462 46 45 GLU CG C 35.847 0.12 1 463 46 45 GLU N N 123.585 0.12 1 464 47 46 SER H H 8.606 0.005 1 465 47 46 SER HA H 4.203 0.005 1 466 47 46 SER HB2 H 4.216 0.005 2 467 47 46 SER HB3 H 3.930 0.005 2 468 47 46 SER C C 177.808 0.12 1 469 47 46 SER CA C 61.656 0.12 1 470 47 46 SER CB C 62.096 0.12 1 471 47 46 SER N N 113.618 0.12 1 472 48 47 GLN H H 7.913 0.005 1 473 48 47 GLN HA H 4.157 0.005 1 474 48 47 GLN HB2 H 2.174 0.005 2 475 48 47 GLN HB3 H 2.093 0.005 2 476 48 47 GLN HG2 H 2.599 0.005 2 477 48 47 GLN HG3 H 2.397 0.005 2 478 48 47 GLN HE21 H 7.507 0.005 2 479 48 47 GLN HE22 H 6.812 0.005 2 480 48 47 GLN C C 178.741 0.12 1 481 48 47 GLN CA C 58.892 0.12 1 482 48 47 GLN CB C 28.770 0.12 1 483 48 47 GLN CG C 34.239 0.12 1 484 48 47 GLN N N 122.593 0.12 1 485 48 47 GLN NE2 N 111.200 0.12 1 486 49 48 LYS H H 8.370 0.005 1 487 49 48 LYS HA H 4.063 0.005 1 488 49 48 LYS HB2 H 2.288 0.005 2 489 49 48 LYS HB3 H 2.218 0.005 2 490 49 48 LYS HG2 H 1.844 0.005 2 491 49 48 LYS HG3 H 1.186 0.005 2 492 49 48 LYS HD2 H 2.040 0.005 2 493 49 48 LYS HD3 H 1.768 0.005 2 494 49 48 LYS HE2 H 2.871 0.005 2 495 49 48 LYS HE3 H 2.762 0.005 2 496 49 48 LYS C C 177.495 0.12 1 497 49 48 LYS CA C 59.900 0.12 1 498 49 48 LYS CB C 32.297 0.12 1 499 49 48 LYS CG C 24.511 0.12 1 500 49 48 LYS CD C 30.323 0.12 1 501 49 48 LYS CE C 41.656 0.12 1 502 49 48 LYS N N 122.496 0.12 1 503 50 49 LEU H H 8.528 0.005 1 504 50 49 LEU HA H 3.989 0.005 1 505 50 49 LEU HB2 H 1.904 0.005 2 506 50 49 LEU HB3 H 1.464 0.005 2 507 50 49 LEU HG H 1.911 0.005 1 508 50 49 LEU HD1 H 0.952 0.005 2 509 50 49 LEU HD2 H 0.862 0.005 2 510 50 49 LEU CA C 58.413 0.12 1 511 50 49 LEU CB C 41.126 0.12 1 512 50 49 LEU CG C 27.153 0.12 1 513 50 49 LEU CD1 C 25.330 0.12 2 514 50 49 LEU CD2 C 23.178 0.12 2 515 50 49 LEU N N 118.546 0.12 1 516 51 50 ALA H H 7.901 0.005 1 517 51 50 ALA HA H 4.068 0.005 1 518 51 50 ALA HB H 1.494 0.005 1 519 51 50 ALA C C 180.474 0.12 1 520 51 50 ALA CA C 54.662 0.12 1 521 51 50 ALA CB C 18.057 0.12 1 522 51 50 ALA N N 118.959 0.12 1 523 52 51 HIS H H 8.402 0.005 1 524 52 51 HIS HA H 3.929 0.005 1 525 52 51 HIS HB2 H 3.077 0.005 1 526 52 51 HIS HB3 H 2.709 0.005 1 527 52 51 HIS HD2 H 4.873 0.005 1 528 52 51 HIS HE1 H 7.991 0.005 1 529 52 51 HIS C C 179.099 0.12 1 530 52 51 HIS CA C 60.635 0.12 1 531 52 51 HIS CB C 29.802 0.12 1 532 52 51 HIS CD2 C 126.069 0.12 1 533 52 51 HIS CE1 C 140.546 0.12 1 534 52 51 HIS N N 115.631 0.12 1 535 52 51 HIS ND1 N 170.069 0.12 1 536 52 51 HIS NE2 N 215.591 0.12 1 537 53 52 TYR H H 7.983 0.005 1 538 53 52 TYR HA H 3.401 0.005 1 539 53 52 TYR HB2 H 2.825 0.005 1 540 53 52 TYR HB3 H 2.567 0.005 1 541 53 52 TYR HD1 H 6.391 0.005 1 542 53 52 TYR HE1 H 6.408 0.005 1 543 53 52 TYR C C 175.769 0.12 1 544 53 52 TYR CA C 61.828 0.12 1 545 53 52 TYR CB C 38.197 0.12 1 546 53 52 TYR CD1 C 132.006 0.12 1 547 53 52 TYR CE1 C 117.822 0.12 1 548 53 52 TYR N N 116.040 0.12 1 549 54 53 GLN H H 7.302 0.005 1 550 54 53 GLN HA H 4.362 0.005 1 551 54 53 GLN HB2 H 2.420 0.005 2 552 54 53 GLN HB3 H 1.983 0.005 2 553 54 53 GLN HG2 H 2.533 0.005 2 554 54 53 GLN HG3 H 2.346 0.005 2 555 54 53 GLN HE21 H 6.928 0.005 2 556 54 53 GLN HE22 H 6.837 0.005 2 557 54 53 GLN C C 175.599 0.12 1 558 54 53 GLN CA C 56.301 0.12 1 559 54 53 GLN CB C 30.405 0.12 1 560 54 53 GLN CG C 35.739 0.12 1 561 54 53 GLN N N 114.093 0.12 1 562 54 53 GLN NE2 N 109.786 0.12 1 563 55 54 SER H H 7.346 0.005 1 564 55 54 SER HA H 4.494 0.005 1 565 55 54 SER HB2 H 4.397 0.005 2 566 55 54 SER HB3 H 4.332 0.005 2 567 55 54 SER C C 175.778 0.12 1 568 55 54 SER CA C 58.820 0.12 1 569 55 54 SER CB C 65.479 0.12 1 570 55 54 SER N N 113.978 0.12 1 571 56 55 ARG H H 9.191 0.005 1 572 56 55 ARG HA H 4.078 0.005 1 573 56 55 ARG HB2 H 1.948 0.005 1 574 56 55 ARG HG2 H 1.795 0.005 2 575 56 55 ARG HG3 H 1.742 0.005 2 576 56 55 ARG HD2 H 3.304 0.005 2 577 56 55 ARG HD3 H 3.267 0.005 2 578 56 55 ARG CA C 58.541 0.12 1 579 56 55 ARG CB C 29.934 0.12 1 580 56 55 ARG CG C 27.360 0.12 1 581 56 55 ARG CD C 42.651 0.12 1 582 56 55 ARG N N 125.795 0.12 1 583 57 56 LYS HA H 4.071 0.005 1 584 57 56 LYS HB2 H 1.859 0.005 2 585 57 56 LYS HB3 H 1.795 0.005 2 586 57 56 LYS HG2 H 1.724 0.005 2 587 57 56 LYS HG3 H 1.575 0.005 2 588 57 56 LYS HD2 H 1.944 0.005 2 589 57 56 LYS HD3 H 1.806 0.005 2 590 57 56 LYS HE2 H 3.093 0.005 1 591 57 56 LYS C C 178.971 0.12 1 592 57 56 LYS CA C 60.166 0.12 1 593 57 56 LYS CB C 32.356 0.12 1 594 57 56 LYS CG C 26.191 0.12 1 595 57 56 LYS CD C 29.326 0.12 1 596 57 56 LYS CE C 42.194 0.12 1 597 58 57 HIS H H 7.320 0.005 1 598 58 57 HIS HA H 4.139 0.005 1 599 58 57 HIS HB2 H 2.937 0.005 2 600 58 57 HIS HB3 H 1.910 0.005 2 601 58 57 HIS HD2 H 7.398 0.005 1 602 58 57 HIS HE1 H 7.944 0.005 1 603 58 57 HIS C C 175.838 0.12 1 604 58 57 HIS CA C 59.821 0.12 1 605 58 57 HIS CB C 29.705 0.12 1 606 58 57 HIS CD2 C 120.613 0.12 1 607 58 57 HIS CE1 C 140.042 0.12 1 608 58 57 HIS N N 117.368 0.12 1 609 58 57 HIS ND1 N 216.820 0.12 1 610 58 57 HIS NE2 N 169.864 0.12 1 611 59 58 ALA H H 7.433 0.005 1 612 59 58 ALA HA H 3.866 0.005 1 613 59 58 ALA HB H 1.564 0.005 1 614 59 58 ALA C C 180.679 0.12 1 615 59 58 ALA CA C 55.310 0.12 1 616 59 58 ALA CB C 18.527 0.12 1 617 59 58 ALA N N 121.027 0.12 1 618 60 59 ASN H H 8.641 0.005 1 619 60 59 ASN HA H 4.453 0.005 1 620 60 59 ASN HB2 H 2.931 0.005 2 621 60 59 ASN HB3 H 2.843 0.005 2 622 60 59 ASN HD21 H 7.630 0.005 2 623 60 59 ASN HD22 H 6.969 0.005 2 624 60 59 ASN C C 178.204 0.12 1 625 60 59 ASN CA C 55.704 0.12 1 626 60 59 ASN CB C 38.093 0.12 1 627 60 59 ASN N N 116.710 0.12 1 628 60 59 ASN ND2 N 111.909 0.12 1 629 61 60 LYS H H 7.870 0.005 1 630 61 60 LYS HA H 4.024 0.005 1 631 61 60 LYS HB2 H 2.101 0.005 2 632 61 60 LYS HB3 H 1.785 0.005 2 633 61 60 LYS HG2 H 1.633 0.005 2 634 61 60 LYS HG3 H 1.568 0.005 2 635 61 60 LYS HD2 H 1.944 0.005 2 636 61 60 LYS HD3 H 1.806 0.005 2 637 61 60 LYS HE2 H 3.093 0.005 1 638 61 60 LYS CA C 59.350 0.12 1 639 61 60 LYS CB C 32.221 0.12 1 640 61 60 LYS CG C 25.391 0.12 1 641 61 60 LYS CD C 29.370 0.12 1 642 61 60 LYS CE C 42.248 0.12 1 643 61 60 LYS N N 122.038 0.12 1 644 62 61 VAL H H 8.467 0.005 1 645 62 61 VAL HA H 3.644 0.005 1 646 62 61 VAL HB H 2.097 0.005 1 647 62 61 VAL HG1 H 1.123 0.005 1 648 62 61 VAL HG2 H 0.733 0.005 1 649 62 61 VAL C C 177.354 0.12 1 650 62 61 VAL CA C 66.954 0.12 1 651 62 61 VAL CB C 32.042 0.12 1 652 62 61 VAL CG1 C 22.012 0.12 1 653 62 61 VAL CG2 C 23.943 0.12 1 654 62 61 VAL N N 121.150 0.12 1 655 63 62 ARG H H 8.029 0.005 1 656 63 62 ARG HA H 4.090 0.005 1 657 63 62 ARG HB2 H 2.028 0.005 2 658 63 62 ARG HB3 H 1.827 0.005 2 659 63 62 ARG HG2 H 1.813 0.005 2 660 63 62 ARG HG3 H 1.722 0.005 2 661 63 62 ARG HD2 H 3.280 0.005 1 662 63 62 ARG C C 179.331 0.12 1 663 63 62 ARG CA C 59.799 0.12 1 664 63 62 ARG CB C 29.817 0.12 1 665 63 62 ARG CG C 27.581 0.12 1 666 63 62 ARG CD C 43.466 0.12 1 667 63 62 ARG N N 120.148 0.12 1 668 64 63 ARG H H 7.487 0.005 1 669 64 63 ARG HA H 4.173 0.005 1 670 64 63 ARG HB2 H 1.965 0.005 2 671 64 63 ARG HB3 H 1.812 0.005 2 672 64 63 ARG HG2 H 1.738 0.005 1 673 64 63 ARG HD2 H 3.244 0.005 1 674 64 63 ARG C C 177.637 0.12 1 675 64 63 ARG CA C 58.701 0.12 1 676 64 63 ARG CB C 30.177 0.12 1 677 64 63 ARG CG C 27.359 0.12 1 678 64 63 ARG CD C 43.210 0.12 1 679 64 63 ARG N N 117.873 0.12 1 680 65 64 TYR H H 8.184 0.005 1 681 65 64 TYR HA H 4.217 0.005 1 682 65 64 TYR HB2 H 3.324 0.005 1 683 65 64 TYR HB3 H 3.222 0.005 1 684 65 64 TYR HD1 H 7.155 0.005 1 685 65 64 TYR HE1 H 6.841 0.005 1 686 65 64 TYR C C 177.947 0.12 1 687 65 64 TYR CA C 61.051 0.12 1 688 65 64 TYR CB C 39.377 0.12 1 689 65 64 TYR CD1 C 133.494 0.12 1 690 65 64 TYR CE1 C 118.120 0.12 1 691 65 64 TYR N N 121.492 0.12 1 692 66 65 MET H H 8.699 0.005 1 693 66 65 MET HA H 4.271 0.005 1 694 66 65 MET HB2 H 2.229 0.005 2 695 66 65 MET HB3 H 2.185 0.005 2 696 66 65 MET HG2 H 2.935 0.005 2 697 66 65 MET HG3 H 2.882 0.005 2 698 66 65 MET HE H 2.186 0.005 1 699 66 65 MET C C 177.436 0.12 1 700 66 65 MET CA C 56.632 0.12 1 701 66 65 MET CB C 31.806 0.12 1 702 66 65 MET CG C 32.864 0.12 1 703 66 65 MET CE C 16.977 0.12 1 704 66 65 MET N N 117.176 0.12 1 705 67 66 ALA H H 7.620 0.005 1 706 67 66 ALA HA H 4.266 0.005 1 707 67 66 ALA HB H 1.541 0.005 1 708 67 66 ALA C C 179.078 0.12 1 709 67 66 ALA CA C 53.806 0.12 1 710 67 66 ALA CB C 18.639 0.12 1 711 67 66 ALA N N 121.595 0.12 1 712 68 67 ILE H H 7.729 0.005 1 713 68 67 ILE HA H 4.089 0.005 1 714 68 67 ILE HB H 1.884 0.005 1 715 68 67 ILE HG12 H 1.566 0.005 2 716 68 67 ILE HG13 H 1.246 0.005 2 717 68 67 ILE HG2 H 0.900 0.005 1 718 68 67 ILE HD1 H 0.879 0.005 1 719 68 67 ILE C C 176.888 0.12 1 720 68 67 ILE CA C 62.299 0.12 1 721 68 67 ILE CB C 38.668 0.12 1 722 68 67 ILE CG1 C 27.721 0.12 1 723 68 67 ILE CG2 C 17.332 0.12 1 724 68 67 ILE CD1 C 13.241 0.12 1 725 68 67 ILE N N 116.805 0.12 1 726 69 68 ASN H H 8.063 0.005 1 727 69 68 ASN HA H 4.641 0.005 1 728 69 68 ASN HB2 H 2.721 0.005 2 729 69 68 ASN HB3 H 2.514 0.005 2 730 69 68 ASN HD21 H 7.097 0.005 2 731 69 68 ASN HD22 H 6.748 0.005 2 732 69 68 ASN C C 175.173 0.12 1 733 69 68 ASN CA C 54.003 0.12 1 734 69 68 ASN CB C 38.915 0.12 1 735 69 68 ASN N N 119.873 0.12 1 736 69 68 ASN ND2 N 113.841 0.12 1 737 70 69 GLN H H 8.156 0.005 1 738 70 69 GLN HA H 4.364 0.005 1 739 70 69 GLN HB2 H 2.225 0.005 2 740 70 69 GLN HB3 H 2.086 0.005 2 741 70 69 GLN HG2 H 2.408 0.005 1 742 70 69 GLN HE21 H 7.521 0.005 2 743 70 69 GLN HE22 H 6.828 0.005 2 744 70 69 GLN C C 176.474 0.12 1 745 70 69 GLN CA C 56.189 0.12 1 746 70 69 GLN CB C 29.349 0.12 1 747 70 69 GLN CG C 33.870 0.12 1 748 70 69 GLN N N 119.758 0.12 1 749 70 69 GLN NE2 N 112.238 0.12 1 750 71 70 GLY H H 8.316 0.005 1 751 71 70 GLY HA2 H 4.031 0.005 1 752 71 70 GLY C C 174.470 0.12 1 753 71 70 GLY CA C 45.267 0.12 1 754 71 70 GLY N N 109.327 0.12 1 755 72 71 GLU H H 8.352 0.005 1 756 72 71 GLU HA H 4.331 0.005 1 757 72 71 GLU HB2 H 1.990 0.005 2 758 72 71 GLU HB3 H 2.121 0.005 2 759 72 71 GLU HG2 H 2.308 0.005 2 760 72 71 GLU HG3 H 2.272 0.005 2 761 72 71 GLU C C 176.450 0.12 1 762 72 71 GLU CA C 56.700 0.12 1 763 72 71 GLU CB C 30.345 0.12 1 764 72 71 GLU CG C 36.264 0.12 1 765 72 71 GLU N N 120.687 0.12 1 766 73 72 ASP H H 8.467 0.005 1 767 73 72 ASP HA H 4.655 0.005 1 768 73 72 ASP HB2 H 2.746 0.005 2 769 73 72 ASP HB3 H 2.679 0.005 2 770 73 72 ASP C C 176.253 0.12 1 771 73 72 ASP CA C 54.303 0.12 1 772 73 72 ASP CB C 41.159 0.12 1 773 73 72 ASP N N 120.739 0.12 1 774 74 73 SER H H 8.151 0.005 1 775 74 73 SER HA H 4.460 0.005 1 776 74 73 SER HB2 H 3.908 0.005 2 777 74 73 SER HB3 H 3.879 0.005 2 778 74 73 SER C C 174.275 0.12 1 779 74 73 SER CA C 58.349 0.12 1 780 74 73 SER CB C 63.744 0.12 1 781 74 73 SER N N 115.685 0.12 1 782 75 74 VAL H H 8.084 0.005 1 783 75 74 VAL HA H 4.427 0.005 1 784 75 74 VAL HB H 2.157 0.005 1 785 75 74 VAL HG1 H 1.010 0.005 2 786 75 74 VAL HG2 H 0.987 0.005 2 787 75 74 VAL CA C 60.407 0.12 1 788 75 74 VAL CB C 32.306 0.12 1 789 75 74 VAL CG1 C 21.199 0.12 2 790 75 74 VAL CG2 C 20.569 0.12 2 791 75 74 VAL N N 122.725 0.12 1 792 76 75 PRO HA H 4.403 0.005 1 793 76 75 PRO HB2 H 2.341 0.005 2 794 76 75 PRO HB3 H 1.961 0.005 2 795 76 75 PRO HG2 H 2.081 0.005 2 796 76 75 PRO HG3 H 2.031 0.005 2 797 76 75 PRO HD2 H 3.904 0.005 2 798 76 75 PRO HD3 H 3.724 0.005 2 799 76 75 PRO C C 176.894 0.12 1 800 76 75 PRO CA C 63.569 0.12 1 801 76 75 PRO CB C 32.023 0.12 1 802 76 75 PRO CG C 27.473 0.12 1 803 76 75 PRO CD C 50.937 0.12 1 804 77 76 ALA H H 8.302 0.005 1 805 77 76 ALA HA H 4.287 0.005 1 806 77 76 ALA HB H 1.426 0.005 1 807 77 76 ALA C C 178.024 0.12 1 808 77 76 ALA CA C 52.610 0.12 1 809 77 76 ALA CB C 19.175 0.12 1 810 77 76 ALA N N 123.667 0.12 1 811 78 77 LYS H H 8.218 0.005 1 812 78 77 LYS HA H 4.297 0.005 1 813 78 77 LYS HB2 H 1.800 0.005 2 814 78 77 LYS HB3 H 1.758 0.005 2 815 78 77 LYS HG2 H 1.479 0.005 2 816 78 77 LYS HG3 H 1.408 0.005 2 817 78 77 LYS HD2 H 1.767 0.005 2 818 78 77 LYS HD3 H 1.676 0.005 2 819 78 77 LYS HE2 H 3.020 0.005 1 820 78 77 LYS C C 178.128 0.12 1 821 78 77 LYS CA C 56.171 0.12 1 822 78 77 LYS CB C 32.982 0.12 1 823 78 77 LYS CG C 24.660 0.12 1 824 78 77 LYS CD C 29.097 0.12 1 825 78 77 LYS CE C 41.998 0.12 1 826 78 77 LYS N N 120.244 0.12 1 827 79 78 LYS H H 8.181 0.005 1 828 79 78 LYS HA H 4.333 0.005 1 829 79 78 LYS HB2 H 1.748 0.005 2 830 79 78 LYS HB3 H 1.711 0.005 2 831 79 78 LYS HG2 H 1.479 0.005 2 832 79 78 LYS HG3 H 1.408 0.005 2 833 79 78 LYS HD2 H 1.767 0.005 2 834 79 78 LYS HD3 H 1.676 0.005 2 835 79 78 LYS HE2 H 3.020 0.005 1 836 79 78 LYS C C 176.194 0.12 1 837 79 78 LYS CA C 56.437 0.12 1 838 79 78 LYS CB C 33.161 0.12 1 839 79 78 LYS CG C 24.566 0.12 1 840 79 78 LYS CD C 28.998 0.12 1 841 79 78 LYS CE C 41.951 0.12 1 842 79 78 LYS N N 122.058 0.12 1 843 80 79 PHE H H 8.223 0.005 1 844 80 79 PHE HA H 4.645 0.005 1 845 80 79 PHE HB2 H 3.140 0.005 2 846 80 79 PHE HB3 H 3.064 0.005 2 847 80 79 PHE HD1 H 7.296 0.005 1 848 80 79 PHE HE1 H 7.373 0.005 1 849 80 79 PHE HZ H 7.333 0.005 1 850 80 79 PHE C C 175.324 0.12 1 851 80 79 PHE CA C 57.535 0.12 1 852 80 79 PHE CB C 39.778 0.12 1 853 80 79 PHE CD1 C 131.662 0.12 1 854 80 79 PHE CE1 C 131.429 0.12 1 855 80 79 PHE CZ C 129.779 0.12 1 856 80 79 PHE N N 121.444 0.12 1 857 81 80 LYS H H 8.165 0.005 1 858 81 80 LYS HA H 4.278 0.005 1 859 81 80 LYS HB2 H 1.799 0.005 2 860 81 80 LYS HB3 H 1.713 0.005 2 861 81 80 LYS HG2 H 1.408 0.005 2 862 81 80 LYS HG3 H 1.479 0.005 2 863 81 80 LYS HD2 H 1.767 0.005 2 864 81 80 LYS HD3 H 1.677 0.005 2 865 81 80 LYS HE2 H 3.020 0.005 1 866 81 80 LYS C C 175.424 0.12 1 867 81 80 LYS CA C 55.870 0.12 1 868 81 80 LYS CB C 33.337 0.12 1 869 81 80 LYS CG C 24.605 0.12 1 870 81 80 LYS CD C 29.044 0.12 1 871 81 80 LYS CE C 41.918 0.12 1 872 81 80 LYS N N 123.985 0.12 1 873 82 81 ALA H H 8.233 0.005 1 874 82 81 ALA HA H 4.285 0.005 1 875 82 81 ALA HB H 1.409 0.005 1 876 82 81 ALA C C 176.914 0.12 1 877 82 81 ALA CA C 51.994 0.12 1 878 82 81 ALA CB C 19.415 0.12 1 879 82 81 ALA N N 126.032 0.12 1 880 83 82 ALA H H 8.310 0.005 1 881 83 82 ALA HA H 4.610 0.005 1 882 83 82 ALA HB H 1.401 0.005 1 883 83 82 ALA CA C 50.317 0.12 1 884 83 82 ALA CB C 18.154 0.12 1 885 83 82 ALA N N 124.977 0.12 1 886 84 83 PRO HA H 4.412 0.005 1 887 84 83 PRO HB2 H 2.337 0.005 2 888 84 83 PRO HB3 H 1.947 0.005 2 889 84 83 PRO HG2 H 2.081 0.005 2 890 84 83 PRO HG3 H 2.030 0.005 2 891 84 83 PRO HD2 H 3.673 0.005 2 892 84 83 PRO HD3 H 3.821 0.005 2 893 84 83 PRO C C 176.731 0.12 1 894 84 83 PRO CA C 63.170 0.12 1 895 84 83 PRO CB C 32.062 0.12 1 896 84 83 PRO CG C 27.480 0.12 1 897 84 83 PRO CD C 50.444 0.12 1 898 85 84 ALA H H 8.366 0.005 1 899 85 84 ALA HA H 4.315 0.005 1 900 85 84 ALA HB H 1.421 0.005 1 901 85 84 ALA C C 177.767 0.12 1 902 85 84 ALA CA C 52.449 0.12 1 903 85 84 ALA CB C 19.261 0.12 1 904 85 84 ALA N N 123.910 0.12 1 905 86 85 GLU H H 8.382 0.005 1 906 86 85 GLU HA H 4.343 0.005 1 907 86 85 GLU HB2 H 2.050 0.005 2 908 86 85 GLU HB3 H 1.980 0.005 2 909 86 85 GLU HG2 H 2.307 0.005 2 910 86 85 GLU HG3 H 2.278 0.005 2 911 86 85 GLU C C 176.497 0.12 1 912 86 85 GLU CA C 56.501 0.12 1 913 86 85 GLU CB C 30.352 0.12 1 914 86 85 GLU CG C 36.265 0.12 1 915 86 85 GLU N N 119.954 0.12 1 916 87 86 ILE H H 8.207 0.005 1 917 87 86 ILE HA H 4.245 0.005 1 918 87 86 ILE HB H 1.919 0.005 1 919 87 86 ILE HG12 H 1.514 0.005 2 920 87 86 ILE HG13 H 1.229 0.005 2 921 87 86 ILE HG2 H 0.949 0.005 1 922 87 86 ILE HD1 H 0.892 0.005 1 923 87 86 ILE C C 176.294 0.12 1 924 87 86 ILE CA C 60.990 0.12 1 925 87 86 ILE CB C 38.804 0.12 1 926 87 86 ILE CG1 C 27.301 0.12 1 927 87 86 ILE CG2 C 17.589 0.12 1 928 87 86 ILE CD1 C 12.966 0.12 1 929 87 86 ILE N N 121.908 0.12 1 930 88 87 SER H H 8.440 0.005 1 931 88 87 SER HA H 4.542 0.005 1 932 88 87 SER HB2 H 3.926 0.005 2 933 88 87 SER HB3 H 3.875 0.005 2 934 88 87 SER C C 174.471 0.12 1 935 88 87 SER CA C 58.068 0.12 1 936 88 87 SER CB C 63.918 0.12 1 937 88 87 SER N N 120.079 0.12 1 938 89 88 ASP H H 8.436 0.005 1 939 89 88 ASP HA H 4.655 0.005 1 940 89 88 ASP HB2 H 2.749 0.005 1 941 89 88 ASP C C 176.906 0.12 1 942 89 88 ASP CA C 54.667 0.12 1 943 89 88 ASP CB C 41.159 0.12 1 944 89 88 ASP N N 122.943 0.12 1 945 90 89 GLY H H 8.351 0.005 1 946 90 89 GLY HA2 H 3.986 0.005 1 947 90 89 GLY C C 174.576 0.12 1 948 90 89 GLY CA C 45.505 0.12 1 949 90 89 GLY N N 108.568 0.12 1 950 91 90 GLU H H 8.245 0.005 1 951 91 90 GLU HA H 4.340 0.005 1 952 91 90 GLU HB2 H 2.118 0.005 2 953 91 90 GLU HB3 H 1.992 0.005 2 954 91 90 GLU HG2 H 2.307 0.005 2 955 91 90 GLU HG3 H 2.278 0.005 2 956 91 90 GLU C C 176.396 0.12 1 957 91 90 GLU CA C 56.671 0.12 1 958 91 90 GLU CB C 30.337 0.12 1 959 91 90 GLU CG C 36.264 0.12 1 960 91 90 GLU N N 120.244 0.12 1 961 92 91 ASP H H 8.402 0.005 1 962 92 91 ASP HA H 4.708 0.005 1 963 92 91 ASP HB2 H 2.917 0.005 2 964 92 91 ASP HB3 H 2.718 0.005 2 965 92 91 ASP C C 177.450 0.12 1 966 92 91 ASP CA C 54.275 0.12 1 967 92 91 ASP CB C 41.127 0.12 1 968 92 91 ASP N N 121.446 0.12 1 969 93 92 ARG H H 8.739 0.005 1 970 93 92 ARG HA H 4.706 0.005 1 971 93 92 ARG HB2 H 1.923 0.005 1 972 93 92 ARG HG2 H 1.736 0.005 2 973 93 92 ARG HG3 H 1.658 0.005 2 974 93 92 ARG HD2 H 3.207 0.005 2 975 93 92 ARG HD3 H 3.134 0.005 2 976 93 92 ARG C C 177.749 0.12 1 977 93 92 ARG CA C 57.591 0.12 1 978 93 92 ARG CB C 30.177 0.12 1 979 93 92 ARG CG C 27.300 0.12 1 980 93 92 ARG CD C 43.250 0.12 1 981 93 92 ARG N N 124.755 0.12 1 982 94 93 SER H H 8.548 0.005 1 983 94 93 SER HA H 4.391 0.005 1 984 94 93 SER HB2 H 3.977 0.005 1 985 94 93 SER CA C 60.232 0.12 1 986 94 93 SER CB C 63.683 0.12 1 987 94 93 SER N N 113.850 0.12 1 988 95 94 LYS H H 7.901 0.005 1 989 95 94 LYS HA H 4.681 0.005 1 990 95 94 LYS HB2 H 2.029 0.005 1 991 95 94 LYS HB3 H 1.923 0.005 1 992 95 94 LYS HG2 H 1.533 0.005 2 993 95 94 LYS HG3 H 1.451 0.005 2 994 95 94 LYS HD2 H 1.755 0.005 1 995 95 94 LYS HD3 H 1.755 0.005 1 996 95 94 LYS HE2 H 3.045 0.005 1 997 95 94 LYS C C 176.958 0.12 1 998 95 94 LYS CA C 56.946 0.12 1 999 95 94 LYS CB C 34.881 0.12 1 1000 95 94 LYS CG C 25.249 0.12 1 1001 95 94 LYS CD C 29.223 0.12 1 1002 95 94 LYS CE C 41.897 0.12 1 1003 95 94 LYS N N 118.959 0.12 1 1004 96 95 CYS H H 8.133 0.005 1 1005 96 95 CYS HA H 4.665 0.005 1 1006 96 95 CYS HB2 H 2.779 0.005 2 1007 96 95 CYS HB3 H 2.756 0.005 2 1008 96 95 CYS C C 171.861 0.12 1 1009 96 95 CYS CA C 56.477 0.12 1 1010 96 95 CYS CB C 29.695 0.12 1 1011 96 95 CYS N N 116.953 0.12 1 1012 97 96 CYS H H 8.387 0.005 1 1013 97 96 CYS HA H 5.644 0.005 1 1014 97 96 CYS HB2 H 3.089 0.005 2 1015 97 96 CYS HB3 H 2.753 0.005 2 1016 97 96 CYS CA C 55.342 0.12 1 1017 97 96 CYS CB C 31.718 0.12 1 1018 97 96 CYS N N 125.020 0.12 1 1019 98 97 PRO HA H 4.659 0.005 1 1020 98 97 PRO HB2 H 2.423 0.005 2 1021 98 97 PRO HB3 H 2.166 0.005 2 1022 98 97 PRO HG2 H 2.217 0.005 2 1023 98 97 PRO HG3 H 2.200 0.005 2 1024 98 97 PRO HD2 H 4.440 0.005 2 1025 98 97 PRO HD3 H 4.188 0.005 2 1026 98 97 PRO C C 177.811 0.12 1 1027 98 97 PRO CA C 63.788 0.12 1 1028 98 97 PRO CB C 32.533 0.12 1 1029 98 97 PRO CG C 27.004 0.12 1 1030 98 97 PRO CD C 51.851 0.12 1 1031 99 98 VAL H H 8.134 0.005 1 1032 99 98 VAL HA H 3.914 0.005 1 1033 99 98 VAL HB H 2.269 0.005 1 1034 99 98 VAL HG1 H 1.169 0.005 1 1035 99 98 VAL HG2 H 0.888 0.005 1 1036 99 98 VAL C C 177.691 0.12 1 1037 99 98 VAL CA C 65.508 0.12 1 1038 99 98 VAL CB C 33.129 0.12 1 1039 99 98 VAL CG1 C 22.383 0.12 1 1040 99 98 VAL CG2 C 21.439 0.12 1 1041 99 98 VAL N N 121.746 0.12 1 1042 100 99 CYS H H 8.782 0.005 1 1043 100 99 CYS HA H 4.171 0.005 1 1044 100 99 CYS HB2 H 3.299 0.005 2 1045 100 99 CYS HB3 H 2.615 0.005 2 1046 100 99 CYS C C 175.340 0.12 1 1047 100 99 CYS CA C 60.209 0.12 1 1048 100 99 CYS CB C 30.873 0.12 1 1049 100 99 CYS N N 120.933 0.12 1 1050 101 100 ASN H H 8.096 0.005 1 1051 101 100 ASN HA H 4.266 0.005 1 1052 101 100 ASN HB2 H 3.141 0.005 2 1053 101 100 ASN HB3 H 2.658 0.005 2 1054 101 100 ASN HD21 H 7.490 0.005 2 1055 101 100 ASN HD22 H 6.718 0.005 2 1056 101 100 ASN C C 173.654 0.12 1 1057 101 100 ASN CA C 53.805 0.12 1 1058 101 100 ASN CB C 36.661 0.12 1 1059 101 100 ASN N N 117.162 0.12 1 1060 101 100 ASN ND2 N 111.696 0.12 1 1061 102 101 MET H H 7.183 0.005 1 1062 102 101 MET HA H 4.623 0.005 1 1063 102 101 MET HB2 H 1.570 0.005 2 1064 102 101 MET HB3 H 1.126 0.005 2 1065 102 101 MET HG2 H 2.277 0.005 1 1066 102 101 MET HE H 2.240 0.005 1 1067 102 101 MET C C 173.750 0.12 1 1068 102 101 MET CA C 54.295 0.12 1 1069 102 101 MET CB C 37.923 0.12 1 1070 102 101 MET CG C 31.963 0.12 1 1071 102 101 MET CE C 17.257 0.12 1 1072 102 101 MET N N 115.453 0.12 1 1073 103 102 THR H H 8.018 0.005 1 1074 103 102 THR HA H 4.297 0.005 1 1075 103 102 THR HB H 4.016 0.005 1 1076 103 102 THR HG2 H 1.070 0.005 1 1077 103 102 THR C C 173.171 0.12 1 1078 103 102 THR CA C 59.939 0.12 1 1079 103 102 THR CB C 70.606 0.12 1 1080 103 102 THR CG2 C 21.470 0.12 1 1081 103 102 THR N N 114.599 0.12 1 1082 104 103 PHE H H 7.794 0.005 1 1083 104 103 PHE HA H 5.102 0.005 1 1084 104 103 PHE HB2 H 3.171 0.005 1 1085 104 103 PHE HB3 H 2.816 0.005 1 1086 104 103 PHE HD1 H 6.879 0.005 1 1087 104 103 PHE HE1 H 6.796 0.005 1 1088 104 103 PHE HZ H 5.739 0.005 1 1089 104 103 PHE CA C 55.227 0.12 1 1090 104 103 PHE CB C 41.705 0.12 1 1091 104 103 PHE CD1 C 131.699 0.12 1 1092 104 103 PHE CE1 C 130.096 0.12 1 1093 104 103 PHE CZ C 129.044 0.12 1 1094 104 103 PHE N N 119.945 0.12 1 1095 105 104 SER HA H 4.434 0.005 1 1096 105 104 SER HB2 H 4.097 0.005 2 1097 105 104 SER HB3 H 3.974 0.005 2 1098 105 104 SER C C 173.984 0.12 1 1099 105 104 SER CA C 59.213 0.12 1 1100 105 104 SER CB C 63.335 0.12 1 1101 106 105 SER H H 7.406 0.005 1 1102 106 105 SER HA H 5.140 0.005 1 1103 106 105 SER HB2 H 4.317 0.005 2 1104 106 105 SER HB3 H 3.901 0.005 2 1105 106 105 SER CA C 55.497 0.12 1 1106 106 105 SER CB C 64.725 0.12 1 1107 106 105 SER N N 114.887 0.12 1 1108 107 106 PRO HA H 4.545 0.005 1 1109 107 106 PRO HB2 H 2.524 0.005 2 1110 107 106 PRO HB3 H 2.150 0.005 2 1111 107 106 PRO HG2 H 2.237 0.005 2 1112 107 106 PRO HG3 H 2.083 0.005 2 1113 107 106 PRO HD2 H 4.068 0.005 2 1114 107 106 PRO HD3 H 3.985 0.005 2 1115 107 106 PRO C C 178.410 0.12 1 1116 107 106 PRO CA C 64.581 0.12 1 1117 107 106 PRO CB C 32.312 0.12 1 1118 107 106 PRO CG C 27.730 0.12 1 1119 107 106 PRO CD C 51.431 0.12 1 1120 108 107 VAL H H 7.615 0.005 1 1121 108 107 VAL HA H 3.892 0.005 1 1122 108 107 VAL HB H 2.004 0.005 1 1123 108 107 VAL HG1 H 1.059 0.005 1 1124 108 107 VAL HG2 H 0.987 0.005 1 1125 108 107 VAL C C 178.649 0.12 1 1126 108 107 VAL CA C 65.325 0.12 1 1127 108 107 VAL CB C 32.168 0.12 1 1128 108 107 VAL CG1 C 21.913 0.12 1 1129 108 107 VAL CG2 C 20.856 0.12 1 1130 108 107 VAL N N 117.830 0.12 1 1131 109 108 VAL H H 7.160 0.005 1 1132 109 108 VAL HA H 3.749 0.005 1 1133 109 108 VAL HB H 2.233 0.005 1 1134 109 108 VAL HG1 H 1.145 0.005 1 1135 109 108 VAL HG2 H 1.197 0.005 1 1136 109 108 VAL C C 178.805 0.12 1 1137 109 108 VAL CA C 65.285 0.12 1 1138 109 108 VAL CB C 32.157 0.12 1 1139 109 108 VAL CG1 C 22.247 0.12 1 1140 109 108 VAL CG2 C 21.848 0.12 1 1141 109 108 VAL N N 121.691 0.12 1 1142 110 109 ALA H H 7.438 0.005 1 1143 110 109 ALA HA H 2.264 0.005 1 1144 110 109 ALA HB H 1.355 0.005 1 1145 110 109 ALA C C 178.254 0.12 1 1146 110 109 ALA CA C 54.690 0.12 1 1147 110 109 ALA CB C 19.416 0.12 1 1148 110 109 ALA N N 123.239 0.12 1 1149 111 110 GLU H H 7.911 0.005 1 1150 111 110 GLU HA H 4.079 0.005 1 1151 111 110 GLU HB2 H 2.135 0.005 1 1152 111 110 GLU HG2 H 2.429 0.005 2 1153 111 110 GLU HG3 H 2.382 0.005 2 1154 111 110 GLU C C 179.551 0.12 1 1155 111 110 GLU CA C 59.374 0.12 1 1156 111 110 GLU CB C 29.267 0.12 1 1157 111 110 GLU CG C 35.984 0.12 1 1158 111 110 GLU N N 115.143 0.12 1 1159 112 111 SER H H 7.440 0.005 1 1160 112 111 SER HA H 4.225 0.005 1 1161 112 111 SER HB2 H 3.961 0.005 2 1162 112 111 SER HB3 H 3.928 0.005 2 1163 112 111 SER C C 176.288 0.12 1 1164 112 111 SER CA C 60.609 0.12 1 1165 112 111 SER CB C 62.887 0.12 1 1166 112 111 SER N N 111.956 0.12 1 1167 113 112 HIS H H 7.754 0.005 1 1168 113 112 HIS HA H 4.070 0.005 1 1169 113 112 HIS HB2 H 2.885 0.005 2 1170 113 112 HIS HB3 H 2.724 0.005 2 1171 113 112 HIS HD2 H 5.249 0.005 1 1172 113 112 HIS HE1 H 8.461 0.005 1 1173 113 112 HIS C C 178.621 0.12 1 1174 113 112 HIS CA C 59.915 0.12 1 1175 113 112 HIS CB C 27.804 0.12 1 1176 113 112 HIS CD2 C 127.032 0.12 1 1177 113 112 HIS CE1 C 141.216 0.12 1 1178 113 112 HIS N N 121.452 0.12 1 1179 113 112 HIS ND1 N 172.529 0.12 1 1180 113 112 HIS NE2 N 214.359 0.12 1 1181 114 113 TYR H H 7.362 0.005 1 1182 114 113 TYR HA H 3.511 0.005 1 1183 114 113 TYR HB2 H 3.061 0.005 1 1184 114 113 TYR HB3 H 2.716 0.005 1 1185 114 113 TYR HD1 H 6.498 0.005 1 1186 114 113 TYR HE1 H 7.073 0.005 1 1187 114 113 TYR C C 175.448 0.12 1 1188 114 113 TYR CA C 61.932 0.12 1 1189 114 113 TYR CB C 37.641 0.12 1 1190 114 113 TYR CD1 C 133.057 0.12 1 1191 114 113 TYR CE1 C 118.286 0.12 1 1192 114 113 TYR N N 114.946 0.12 1 1193 115 114 ILE H H 6.801 0.005 1 1194 115 114 ILE HA H 4.605 0.005 1 1195 115 114 ILE HB H 2.218 0.005 1 1196 115 114 ILE HG12 H 1.353 0.005 2 1197 115 114 ILE HG13 H 1.319 0.005 2 1198 115 114 ILE HG2 H 0.980 0.005 1 1199 115 114 ILE HD1 H 0.919 0.005 1 1200 115 114 ILE C C 176.372 0.12 1 1201 115 114 ILE CA C 60.371 0.12 1 1202 115 114 ILE CB C 38.354 0.12 1 1203 115 114 ILE CG1 C 26.241 0.12 1 1204 115 114 ILE CG2 C 18.079 0.12 1 1205 115 114 ILE CD1 C 14.158 0.12 1 1206 115 114 ILE N N 108.396 0.12 1 1207 116 115 GLY H H 7.557 0.005 1 1208 116 115 GLY HA2 H 4.329 0.005 2 1209 116 115 GLY HA3 H 3.943 0.005 2 1210 116 115 GLY C C 173.620 0.12 1 1211 116 115 GLY CA C 44.593 0.12 1 1212 116 115 GLY N N 110.340 0.12 1 1213 117 116 LYS H H 8.240 0.005 1 1214 117 116 LYS HA H 3.950 0.005 1 1215 117 116 LYS HB2 H 1.888 0.005 2 1216 117 116 LYS HB3 H 1.917 0.005 2 1217 117 116 LYS HG2 H 1.646 0.005 2 1218 117 116 LYS HG3 H 1.541 0.005 2 1219 117 116 LYS HD2 H 1.944 0.005 2 1220 117 116 LYS HD3 H 1.806 0.005 2 1221 117 116 LYS HE2 H 3.080 0.005 1 1222 117 116 LYS C C 179.186 0.12 1 1223 117 116 LYS CA C 59.267 0.12 1 1224 117 116 LYS CB C 32.796 0.12 1 1225 117 116 LYS CG C 25.251 0.12 1 1226 117 116 LYS CD C 29.389 0.12 1 1227 117 116 LYS CE C 41.860 0.12 1 1228 117 116 LYS N N 116.790 0.12 1 1229 118 117 THR H H 8.137 0.005 1 1230 118 117 THR HA H 3.891 0.005 1 1231 118 117 THR HB H 4.235 0.005 1 1232 118 117 THR HG2 H 1.425 0.005 1 1233 118 117 THR C C 175.070 0.12 1 1234 118 117 THR CA C 66.850 0.12 1 1235 118 117 THR CB C 68.427 0.12 1 1236 118 117 THR CG2 C 22.082 0.12 1 1237 118 117 THR N N 117.113 0.12 1 1238 119 118 HIS H H 8.336 0.005 1 1239 119 118 HIS HA H 4.003 0.005 1 1240 119 118 HIS HB2 H 2.826 0.005 1 1241 119 118 HIS HB3 H 1.964 0.005 1 1242 119 118 HIS HD2 H 7.241 0.005 1 1243 119 118 HIS HE1 H 8.444 0.005 1 1244 119 118 HIS C C 176.389 0.12 1 1245 119 118 HIS CA C 60.563 0.12 1 1246 119 118 HIS CB C 30.347 0.12 1 1247 119 118 HIS CD2 C 119.912 0.12 1 1248 119 118 HIS CE1 C 140.450 0.12 1 1249 119 118 HIS N N 121.255 0.12 1 1250 119 118 HIS ND1 N 217.435 0.12 1 1251 119 118 HIS NE2 N 170.479 0.12 1 1252 120 119 ILE H H 7.535 0.005 1 1253 120 119 ILE HA H 3.552 0.005 1 1254 120 119 ILE HB H 1.820 0.005 1 1255 120 119 ILE HG12 H 1.749 0.005 2 1256 120 119 ILE HG13 H 1.344 0.005 2 1257 120 119 ILE HG2 H 0.955 0.005 1 1258 120 119 ILE HD1 H 0.860 0.005 1 1259 120 119 ILE C C 178.485 0.12 1 1260 120 119 ILE CA C 64.670 0.12 1 1261 120 119 ILE CB C 37.852 0.12 1 1262 120 119 ILE CG1 C 29.288 0.12 1 1263 120 119 ILE CG2 C 17.225 0.12 1 1264 120 119 ILE CD1 C 12.688 0.12 1 1265 120 119 ILE N N 116.346 0.12 1 1266 121 120 LYS H H 8.037 0.005 1 1267 121 120 LYS HA H 4.040 0.005 1 1268 121 120 LYS HB2 H 1.986 0.005 2 1269 121 120 LYS HB3 H 1.944 0.005 2 1270 121 120 LYS HG2 H 1.562 0.005 2 1271 121 120 LYS HG3 H 1.412 0.005 2 1272 121 120 LYS HD2 H 1.742 0.005 2 1273 121 120 LYS HD3 H 1.687 0.005 2 1274 121 120 LYS HE2 H 2.999 0.005 1 1275 121 120 LYS C C 178.994 0.12 1 1276 121 120 LYS CA C 59.463 0.12 1 1277 121 120 LYS CB C 31.810 0.12 1 1278 121 120 LYS CG C 24.821 0.12 1 1279 121 120 LYS CD C 28.948 0.12 1 1280 121 120 LYS CE C 41.916 0.12 1 1281 121 120 LYS N N 120.282 0.12 1 1282 122 121 ASN H H 7.978 0.005 1 1283 122 121 ASN HA H 4.584 0.005 1 1284 122 121 ASN HB2 H 2.959 0.005 1 1285 122 121 ASN HB3 H 2.502 0.005 1 1286 122 121 ASN HD21 H 7.948 0.005 2 1287 122 121 ASN HD22 H 7.263 0.005 2 1288 122 121 ASN C C 176.539 0.12 1 1289 122 121 ASN CA C 55.137 0.12 1 1290 122 121 ASN CB C 38.134 0.12 1 1291 122 121 ASN N N 117.943 0.12 1 1292 122 121 ASN ND2 N 115.667 0.12 1 1293 123 122 LEU H H 8.181 0.005 1 1294 123 122 LEU HA H 3.960 0.005 1 1295 123 122 LEU HB2 H 1.650 0.005 2 1296 123 122 LEU HB3 H 1.592 0.005 2 1297 123 122 LEU HG H 1.487 0.005 1 1298 123 122 LEU HD1 H 0.920 0.005 2 1299 123 122 LEU HD2 H 0.972 0.005 2 1300 123 122 LEU C C 179.073 0.12 1 1301 123 122 LEU CA C 57.418 0.12 1 1302 123 122 LEU CB C 42.236 0.12 1 1303 123 122 LEU CG C 26.237 0.12 1 1304 123 122 LEU CD1 C 24.022 0.12 2 1305 123 122 LEU CD2 C 25.262 0.12 2 1306 123 122 LEU N N 121.863 0.12 1 1307 124 123 ARG H H 7.751 0.005 1 1308 124 123 ARG HA H 4.183 0.005 1 1309 124 123 ARG HB2 H 1.974 0.005 1 1310 124 123 ARG HG2 H 1.823 0.005 2 1311 124 123 ARG HG3 H 1.753 0.005 2 1312 124 123 ARG HD2 H 3.238 0.005 1 1313 124 123 ARG C C 178.354 0.12 1 1314 124 123 ARG CA C 57.828 0.12 1 1315 124 123 ARG CB C 30.075 0.12 1 1316 124 123 ARG CG C 27.504 0.12 1 1317 124 123 ARG CD C 43.201 0.12 1 1318 124 123 ARG N N 117.997 0.12 1 1319 125 124 LEU H H 7.816 0.005 1 1320 125 124 LEU HA H 4.253 0.005 1 1321 125 124 LEU HB2 H 1.873 0.005 2 1322 125 124 LEU HB3 H 1.662 0.005 2 1323 125 124 LEU HG H 1.832 0.005 1 1324 125 124 LEU HD1 H 0.990 0.005 2 1325 125 124 LEU HD2 H 0.939 0.005 2 1326 125 124 LEU C C 178.259 0.12 1 1327 125 124 LEU CA C 56.362 0.12 1 1328 125 124 LEU CB C 42.236 0.12 1 1329 125 124 LEU CG C 26.828 0.12 1 1330 125 124 LEU CD1 C 25.213 0.12 2 1331 125 124 LEU CD2 C 23.091 0.12 2 1332 125 124 LEU N N 119.204 0.12 1 1333 126 125 ARG H H 7.696 0.005 1 1334 126 125 ARG HA H 4.360 0.005 1 1335 126 125 ARG HB2 H 2.045 0.005 2 1336 126 125 ARG HB3 H 1.927 0.005 2 1337 126 125 ARG HG2 H 1.786 0.005 2 1338 126 125 ARG HG3 H 1.658 0.005 2 1339 126 125 ARG HD2 H 3.267 0.005 1 1340 126 125 ARG C C 176.495 0.12 1 1341 126 125 ARG CA C 56.383 0.12 1 1342 126 125 ARG CB C 30.615 0.12 1 1343 126 125 ARG CG C 27.097 0.12 1 1344 126 125 ARG CD C 43.320 0.12 1 1345 126 125 ARG N N 118.161 0.12 1 1346 127 126 GLU H H 7.974 0.005 1 1347 127 126 GLU HA H 4.362 0.005 1 1348 127 126 GLU HB2 H 2.177 0.005 2 1349 127 126 GLU HB3 H 2.053 0.005 2 1350 127 126 GLU HG2 H 2.410 0.005 2 1351 127 126 GLU HG3 H 2.308 0.005 2 1352 127 126 GLU C C 175.663 0.12 1 1353 127 126 GLU CA C 56.526 0.12 1 1354 127 126 GLU CB C 30.289 0.12 1 1355 127 126 GLU CG C 36.439 0.12 1 1356 127 126 GLU N N 120.629 0.12 1 1357 128 127 GLN H H 7.832 0.005 1 1358 128 127 GLN HA H 4.195 0.005 1 1359 128 127 GLN HB2 H 2.187 0.005 2 1360 128 127 GLN HB3 H 2.010 0.005 2 1361 128 127 GLN HG2 H 2.379 0.005 1 1362 128 127 GLN HE21 H 7.554 0.005 2 1363 128 127 GLN HE22 H 6.827 0.005 2 1364 128 127 GLN CA C 57.371 0.12 1 1365 128 127 GLN CB C 30.367 0.12 1 1366 128 127 GLN CG C 34.360 0.12 1 1367 128 127 GLN N N 125.488 0.12 1 1368 128 127 GLN NE2 N 112.283 0.12 1 stop_ save_