data_4927 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N Resonance Assignments of a Circular Permuted Variant of CV-N (cpCV-N) ; _BMRB_accession_number 4927 _BMRB_flat_file_name bmr4927.str _Entry_type original _Submission_date 2000-12-18 _Accession_date 2000-12-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barrientos Laura G. . 2 Campos-Olivas Ramon . . 3 Gronenborn Angela M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 524 "13C chemical shifts" 423 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-04 original author . stop_ _Original_release_date 2002-04-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the editor: 1H, 13C, 15N Resonance Assignments and Fold Verification of a Circular Permuted Variant of the Potent HIV-inactivating Protein Cyanovirin-N ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21228263 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barrientos Laura G. . 2 Campos-Olivas Ramon . . 3 Louis John M. . 4 Fiser Andras . . 5 Sali Andrej . . 6 Gronenborn Angela M. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 19 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 289 _Page_last 290 _Year 2001 _Details . loop_ _Keyword 'Circular permutation' cyanovirin-N 'heteronuclear NMR' HIV-1 'residual dipolar couplings' 'resonance assignments' stop_ save_ ################################## # Molecular system description # ################################## save_system_cpCV-N _Saveframe_category molecular_system _Mol_system_name 'Circular Permuted Variant of CV-N' _Abbreviation_common cpCV-N _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Circular Permuted Cyanovirin-N, cpCV-N monomer' $cpCV-N stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'HIV inactivating-protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cpCV-N _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Cyanovirin-N _Name_variant 'Circular Permuted Variant of Cyanovirin-N' _Abbreviation_common cpCV-N _Molecular_mass 11013 _Mol_thiol_state 'all disulfide bound' _Details ; The molecule's sequence is that of a circular permuted variant of Cyanovirin-N. New N- and C-termini were introduced into an exposed helical loop and the original termini were linked using residues of the original loop. ; ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; GLGKFIETCRNTQLAGSSEL AAECKTRAQQFVSTKINLDD HIANIDGTLKWQPSNFSQTC YNSAIQGSVLTSTCERTNGG YNTSSIDLNSVIENVDGSLK YE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 1 LEU 3 2 GLY 4 3 LYS 5 4 PHE 6 5 ILE 7 6 GLU 8 7 THR 9 8 CYS 10 9 ARG 11 10 ASN 12 11 THR 13 12 GLN 14 13 LEU 15 14 ALA 16 15 GLY 17 16 SER 18 17 SER 19 18 GLU 20 19 LEU 21 20 ALA 22 21 ALA 23 22 GLU 24 23 CYS 25 24 LYS 26 25 THR 27 26 ARG 28 27 ALA 29 28 GLN 30 29 GLN 31 30 PHE 32 31 VAL 33 32 SER 34 33 THR 35 34 LYS 36 35 ILE 37 36 ASN 38 37 LEU 39 38 ASP 40 39 ASP 41 40 HIS 42 41 ILE 43 42 ALA 44 43 ASN 45 44 ILE 46 45 ASP 47 46 GLY 48 47 THR 49 48 LEU 50 49 LYS 51 50 TRP 52 51 GLN 53 52 PRO 54 53 SER 55 54 ASN 56 55 PHE 57 56 SER 58 57 GLN 59 58 THR 60 59 CYS 61 60 TYR 62 61 ASN 63 62 SER 64 63 ALA 65 64 ILE 66 65 GLN 67 66 GLY 68 67 SER 69 68 VAL 70 69 LEU 71 70 THR 72 71 SER 73 72 THR 74 73 CYS 75 74 GLU 76 75 ARG 77 76 THR 78 77 ASN 79 78 GLY 80 79 GLY 81 80 TYR 82 81 ASN 83 82 THR 84 83 SER 85 84 SER 86 85 ILE 87 86 ASP 88 87 LEU 89 88 ASN 90 89 SER 91 90 VAL 92 91 ILE 93 92 GLU 94 93 ASN 95 94 VAL 96 95 ASP 97 96 GLY 98 97 SER 99 98 LEU 100 99 LYS 101 100 TYR 102 . GLU stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 1N02 'Solution Structure Of A Circular-Permuted Variant Of The Potent Hiv-Inactivating Protein Cyanovirin-N' 100.00 102 100.00 100.00 4.94e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cpCV-N Cyanobacterium . Eubacteria . Nostoc ellipsosporum stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $cpCV-N 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $cpCV-N . mM 0.3 1 [U-15N] 'phosphate buffer' 20 mM 20 . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $cpCV-N . mM 0.3 1.0 '[U-15N; U-13C]' 'phosphate buffer' 20 mM 20 . . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 4.1.1 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_NMR_spectrometer4 _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 . save_ save_2D_1H-13C_HSQC/HMQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label . save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_DIPSI-H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D DIPSI-H(CCO)NH' _Sample_label . save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_3D_15N-edited_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label . save_ save_4D_13C,13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C,13C NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D DIPSI-H(CCO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C,13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Overall_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 n/a temperature 300 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details ; 1H is referenced directly by assigning to the detected H2O signal (at 300K) a value of 4.754 ppm. 13C and 15N shifts are referenced indirectly to 1H. The errors in the chemical shift of a particular atom are upper limit estimates from the spectral resolution in the spectrum where the corresponding signal was assigned. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 H2O H 1 proton ppm 4.754 internal direct . . . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Overall_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Circular Permuted Cyanovirin-N, cpCV-N monomer' _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 GLY HA2 H 3.846 0.01 1 2 . 1 GLY HA3 H 3.772 0.01 1 3 . 1 GLY CA C 43.623 0.05 1 4 . 2 LEU HA H 4.323 0.01 1 5 . 2 LEU HB2 H 1.532 0.01 2 6 . 2 LEU HG H 1.567 0.01 1 7 . 2 LEU HD1 H 0.866 0.01 2 8 . 2 LEU HD2 H 0.885 0.01 2 9 . 2 LEU CA C 54.868 0.05 1 10 . 2 LEU CB C 42.766 0.05 1 11 . 2 LEU CG C 26.940 0.05 1 12 . 2 LEU CD1 C 24.970 0.05 1 13 . 2 LEU CD2 C 27.290 0.05 1 14 . 3 GLY HA2 H 3.762 0.01 1 15 . 3 GLY HA3 H 3.324 0.01 1 16 . 3 GLY C C 174.73 0.05 1 17 . 3 GLY CA C 45.806 0.05 1 18 . 4 LYS H H 8.510 0.01 1 19 . 4 LYS HA H 4.185 0.01 1 20 . 4 LYS HB2 H 2.101 0.01 1 21 . 4 LYS HB3 H 1.989 0.01 1 22 . 4 LYS HG2 H 1.388 0.01 1 23 . 4 LYS HG3 H 1.251 0.01 1 24 . 4 LYS HD2 H 1.552 0.01 2 25 . 4 LYS HE2 H 2.936 0.01 2 26 . 4 LYS C C 179.637 0.05 1 27 . 4 LYS CA C 58.8 0.05 1 28 . 4 LYS CB C 28.834 0.05 1 29 . 4 LYS CG C 25.136 0.05 1 30 . 4 LYS CD C 29.483 0.05 1 31 . 4 LYS CE C 42.081 0.05 1 32 . 4 LYS N N 112.157 0.02 1 33 . 5 PHE H H 8.357 0.01 1 34 . 5 PHE HA H 4.253 0.01 1 35 . 5 PHE HB2 H 2.929 0.01 1 36 . 5 PHE HB3 H 2.644 0.01 1 37 . 5 PHE HD2 H 7.315 0.01 3 38 . 5 PHE HE2 H 6.831 0.01 3 39 . 5 PHE HZ H 6.823 0.01 1 40 . 5 PHE C C 175.566 0.05 1 41 . 5 PHE CA C 60.966 0.05 1 42 . 5 PHE CB C 36.481 0.05 1 43 . 5 PHE CD2 C 133.24 0.05 3 44 . 5 PHE CE2 C 129.787 0.05 3 45 . 5 PHE CZ C 127.944 0.05 1 46 . 5 PHE N N 120.808 0.02 1 47 . 6 ILE H H 7.056 0.01 1 48 . 6 ILE HA H 3.392 0.01 1 49 . 6 ILE HB H 0.526 0.01 1 50 . 6 ILE HG12 H 1.325 0.01 1 51 . 6 ILE HG13 H 1.047 0.01 1 52 . 6 ILE HG2 H 0.574 0.01 1 53 . 6 ILE HD1 H 0.442 0.01 1 54 . 6 ILE C C 175.725 0.05 1 55 . 6 ILE CA C 58.936 0.05 1 56 . 6 ILE CB C 39.423 0.05 1 57 . 6 ILE CG1 C 28.855 0.05 1 58 . 6 ILE CG2 C 19.041 0.05 1 59 . 6 ILE CD1 C 14.315 0.05 1 60 . 6 ILE N N 119.134 0.02 1 61 . 7 GLU H H 7.558 0.01 1 62 . 7 GLU HA H 4.074 0.01 1 63 . 7 GLU HB2 H 2.093 0.01 2 64 . 7 GLU HG2 H 2.387 0.01 1 65 . 7 GLU HG3 H 2.256 0.01 1 66 . 7 GLU C C 179.046 0.05 1 67 . 7 GLU CA C 58.269 0.05 1 68 . 7 GLU CB C 30.023 0.05 1 69 . 7 GLU CG C 37.003 0.05 1 70 . 7 GLU N N 117.598 0.02 1 71 . 8 THR H H 7.531 0.01 1 72 . 8 THR HA H 4.597 0.01 1 73 . 8 THR HB H 4.502 0.01 1 74 . 8 THR HG2 H 1.181 0.01 1 75 . 8 THR C C 172.122 0.05 1 76 . 8 THR CA C 60.537 0.05 1 77 . 8 THR CB C 69.327 0.05 1 78 . 8 THR CG2 C 21.828 0.05 1 79 . 8 THR N N 104.560 0.02 1 80 . 9 CYS H H 7.245 0.01 1 81 . 9 CYS HA H 6.077 0.01 1 82 . 9 CYS HB2 H 3.082 0.01 1 83 . 9 CYS HB3 H 2.817 0.01 1 84 . 9 CYS C C 171.992 0.05 1 85 . 9 CYS CA C 56.576 0.05 1 86 . 9 CYS CB C 50.215 0.05 1 87 . 9 CYS N N 117.504 0.02 1 88 . 10 ARG H H 9.898 0.01 1 89 . 10 ARG HA H 4.865 0.01 1 90 . 10 ARG HB2 H 1.797 0.01 1 91 . 10 ARG HB3 H 1.644 0.01 1 92 . 10 ARG HG2 H 1.534 0.01 1 93 . 10 ARG HG3 H 1.136 0.01 1 94 . 10 ARG HD2 H 2.571 0.01 1 95 . 10 ARG HD3 H 2.227 0.01 1 96 . 10 ARG HE H 6.581 0.01 1 97 . 10 ARG C C 173.577 0.05 1 98 . 10 ARG CA C 53.834 0.05 1 99 . 10 ARG CB C 33.498 0.05 1 100 . 10 ARG CG C 25.636 0.05 1 101 . 10 ARG CD C 43.32 0.05 1 102 . 10 ARG CZ C 158.461 0.05 1 103 . 10 ARG N N 118.108 0.02 1 104 . 10 ARG NE N 84.187 0.02 1 105 . 11 ASN H H 8.965 0.01 1 106 . 11 ASN HA H 4.429 0.01 1 107 . 11 ASN HB2 H 2.958 0.01 1 108 . 11 ASN HB3 H 2.647 0.01 1 109 . 11 ASN HD21 H 7.451 0.01 1 110 . 11 ASN HD22 H 6.732 0.01 1 111 . 11 ASN C C 175.008 0.05 1 112 . 11 ASN CA C 53.683 0.05 1 113 . 11 ASN CB C 36.436 0.05 1 114 . 11 ASN CG C 177.768 0.05 1 115 . 11 ASN N N 116.645 0.02 1 116 . 11 ASN ND2 N 112.148 0.02 1 117 . 12 THR H H 7.872 0.01 1 118 . 12 THR HA H 5.025 0.01 1 119 . 12 THR HB H 4.13 0.01 1 120 . 12 THR HG2 H 1.131 0.01 1 121 . 12 THR C C 176.157 0.05 1 122 . 12 THR CA C 61.133 0.05 1 123 . 12 THR CB C 69.326 0.05 1 124 . 12 THR CG2 C 23.403 0.05 1 125 . 12 THR N N 107.648 0.02 1 126 . 13 GLN H H 9.024 0.01 1 127 . 13 GLN HA H 4.636 0.01 1 128 . 13 GLN HB2 H 2.197 0.01 1 129 . 13 GLN HB3 H 1.946 0.01 1 130 . 13 GLN HG2 H 2.326 0.01 1 131 . 13 GLN HG3 H 2.053 0.01 1 132 . 13 GLN HE21 H 7.37 0.01 1 133 . 13 GLN HE22 H 6.785 0.01 1 134 . 13 GLN C C 173.108 0.05 1 135 . 13 GLN CA C 54.945 0.05 1 136 . 13 GLN CB C 32.779 0.05 1 137 . 13 GLN CG C 33.371 0.05 1 138 . 13 GLN CD C 180.958 0.05 1 139 . 13 GLN N N 118.831 0.02 1 140 . 13 GLN NE2 N 111.413 0.02 1 141 . 14 LEU H H 8.602 0.01 1 142 . 14 LEU HA H 5.059 0.01 1 143 . 14 LEU HB2 H 1.858 0.01 1 144 . 14 LEU HB3 H 1.107 0.01 1 145 . 14 LEU HG H 1.394 0.01 1 146 . 14 LEU HD1 H 0.652 0.01 2 147 . 14 LEU HD2 H 0.637 0.01 2 148 . 14 LEU C C 175.834 0.05 1 149 . 14 LEU CA C 54.036 0.05 1 150 . 14 LEU CB C 42.993 0.05 1 151 . 14 LEU CG C 27.052 0.05 1 152 . 14 LEU CD1 C 23.180 0.05 1 153 . 14 LEU CD2 C 26.784 0.05 1 154 . 14 LEU N N 123.153 0.02 1 155 . 15 ALA H H 9.607 0.01 1 156 . 15 ALA HA H 4.695 0.01 1 157 . 15 ALA HB H 1.288 0.01 1 158 . 15 ALA C C 176.492 0.05 1 159 . 15 ALA CA C 50.666 0.05 1 160 . 15 ALA CB C 20.193 0.05 1 161 . 15 ALA N N 133.475 0.02 1 162 . 16 GLY H H 8.481 0.01 1 163 . 16 GLY HA2 H 4.006 0.01 1 164 . 16 GLY HA3 H 3.714 0.01 1 165 . 16 GLY C C 174.368 0.05 1 166 . 16 GLY CA C 46.304 0.05 1 167 . 16 GLY N N 110.629 0.02 1 168 . 17 SER H H 8.629 0.01 1 169 . 17 SER HA H 4.489 0.01 1 170 . 17 SER HB2 H 3.837 0.01 1 171 . 17 SER HB3 H 3.784 0.01 1 172 . 17 SER C C 176.23 0.05 1 173 . 17 SER CA C 59.392 0.05 1 174 . 17 SER CB C 64.554 0.05 1 175 . 17 SER N N 116.816 0.02 1 176 . 18 SER H H 8.278 0.01 1 177 . 18 SER HA H 4.686 0.01 1 178 . 18 SER HB2 H 4.032 0.01 1 179 . 18 SER HB3 H 3.416 0.01 1 180 . 18 SER C C 172.347 0.05 1 181 . 18 SER CA C 59.203 0.05 1 182 . 18 SER CB C 65.769 0.05 1 183 . 18 SER N N 111.002 0.02 1 184 . 19 GLU H H 8.097 0.01 1 185 . 19 GLU HA H 5.131 0.01 1 186 . 19 GLU HB2 H 2.306 0.01 1 187 . 19 GLU HB3 H 1.785 0.01 1 188 . 19 GLU HG2 H 2.242 0.01 1 189 . 19 GLU HG3 H 1.887 0.01 1 190 . 19 GLU C C 174.807 0.05 1 191 . 19 GLU CA C 55.788 0.05 1 192 . 19 GLU CB C 31.740 0.05 1 193 . 19 GLU CG C 37.210 0.05 1 194 . 19 GLU N N 120.682 0.02 1 195 . 20 LEU H H 8.670 0.01 1 196 . 20 LEU HA H 4.795 0.01 1 197 . 20 LEU HB2 H 1.764 0.01 1 198 . 20 LEU HB3 H 1.214 0.01 1 199 . 20 LEU HG H 1.294 0.01 1 200 . 20 LEU HD1 H 0.892 0.01 2 201 . 20 LEU HD2 H 0.444 0.01 2 202 . 20 LEU C C 173.283 0.05 1 203 . 20 LEU CA C 54.177 0.05 1 204 . 20 LEU CB C 43.294 0.05 1 205 . 20 LEU CG C 27.525 0.05 1 206 . 20 LEU CD1 C 23.928 0.05 1 207 . 20 LEU CD2 C 26.806 0.05 1 208 . 20 LEU N N 126.061 0.02 1 209 . 21 ALA H H 9.085 0.01 1 210 . 21 ALA HA H 5.329 0.01 1 211 . 21 ALA HB H 1.346 0.01 1 212 . 21 ALA C C 175.288 0.05 1 213 . 21 ALA CA C 49.826 0.05 1 214 . 21 ALA CB C 22.293 0.05 1 215 . 21 ALA N N 130.126 0.02 1 216 . 22 ALA H H 8.636 0.01 1 217 . 22 ALA HA H 4.675 0.01 1 218 . 22 ALA HB H 1.323 0.01 1 219 . 22 ALA C C 175.480 0.05 1 220 . 22 ALA CA C 50.999 0.05 1 221 . 22 ALA CB C 24.149 0.05 1 222 . 22 ALA N N 119.126 0.02 1 223 . 23 GLU H H 8.346 0.01 1 224 . 23 GLU HA H 5.386 0.01 1 225 . 23 GLU HB2 H 1.913 0.01 1 226 . 23 GLU HB3 H 1.755 0.01 1 227 . 23 GLU HG2 H 2.287 0.01 1 228 . 23 GLU HG3 H 2.125 0.01 1 229 . 23 GLU C C 176.693 0.05 1 230 . 23 GLU CA C 54.639 0.05 1 231 . 23 GLU CB C 31.839 0.05 1 232 . 23 GLU CG C 36.144 0.05 1 233 . 23 GLU N N 117.833 0.02 1 234 . 24 CYS H H 9.531 0.01 1 235 . 24 CYS HA H 5.525 0.01 1 236 . 24 CYS HB2 H 3.004 0.01 1 237 . 24 CYS HB3 H 2.712 0.01 1 238 . 24 CYS C C 173.488 0.05 1 239 . 24 CYS CA C 55.931 0.05 1 240 . 24 CYS CB C 45.565 0.05 1 241 . 24 CYS N N 121.358 0.02 1 242 . 25 LYS H H 8.398 0.01 1 243 . 25 LYS HA H 4.068 0.01 1 244 . 25 LYS HB2 H 1.326 0.01 1 245 . 25 LYS HB3 H 1.182 0.01 1 246 . 25 LYS HG2 H 0.667 0.01 1 247 . 25 LYS HG3 H 0.501 0.01 1 248 . 25 LYS HD2 H 1.263 0.01 2 249 . 25 LYS HE2 H 2.666 0.01 2 250 . 25 LYS C C 178.156 0.05 1 251 . 25 LYS CA C 56.681 0.05 1 252 . 25 LYS CB C 33.935 0.05 1 253 . 25 LYS CG C 24.857 0.05 1 254 . 25 LYS CD C 29.377 0.05 1 255 . 25 LYS CE C 41.537 0.05 1 256 . 25 LYS N N 122.364 0.02 1 257 . 26 THR H H 8.88 0.02 1 258 . 26 THR HA H 4.112 0.01 1 259 . 26 THR HB H 4.697 0.01 1 260 . 26 THR HG2 H 1.265 0.01 1 261 . 26 THR C C 177.088 0.05 1 262 . 26 THR CA C 60.201 0.05 1 263 . 26 THR CB C 71.840 0.05 1 264 . 26 THR CG2 C 22.650 0.05 1 265 . 26 THR N N 115.768 0.02 1 266 . 27 ARG H H 9.601 0.01 1 267 . 27 ARG HA H 4.059 0.01 1 268 . 27 ARG HB2 H 1.852 0.01 1 269 . 27 ARG HB3 H 1.773 0.01 1 270 . 27 ARG HG2 H 1.675 0.01 2 271 . 27 ARG HD2 H 3.157 0.01 2 272 . 27 ARG HE H 7.202 0.01 1 273 . 27 ARG C C 177.598 0.05 1 274 . 27 ARG CA C 59.474 0.05 1 275 . 27 ARG CB C 29.357 0.05 1 276 . 27 ARG CG C 28.502 0.05 1 277 . 27 ARG CD C 43.362 0.05 1 278 . 27 ARG CZ C 159.535 0.05 1 279 . 27 ARG N N 121.285 0.02 1 280 . 27 ARG NE N 84.792 0.02 1 281 . 28 ALA H H 7.792 0.01 1 282 . 28 ALA HA H 4.437 0.01 1 283 . 28 ALA HB H 1.330 0.01 1 284 . 28 ALA C C 176.231 0.05 1 285 . 28 ALA CA C 51.853 0.05 1 286 . 28 ALA CB C 17.773 0.05 1 287 . 28 ALA N N 120.741 0.02 1 288 . 29 GLN H H 8.009 0.01 1 289 . 29 GLN HA H 3.472 0.01 1 290 . 29 GLN HB2 H 2.404 0.01 1 291 . 29 GLN HB3 H 2.198 0.01 1 292 . 29 GLN HG2 H 2.277 0.01 1 293 . 29 GLN HG3 H 2.054 0.01 1 294 . 29 GLN HE21 H 7.282 0.01 1 295 . 29 GLN HE22 H 6.895 0.01 1 296 . 29 GLN C C 174.193 0.05 1 297 . 29 GLN CA C 56.722 0.05 1 298 . 29 GLN CB C 24.851 0.05 1 299 . 29 GLN CG C 33.527 0.05 1 300 . 29 GLN CD C 180.403 0.05 1 301 . 29 GLN N N 111.110 0.02 1 302 . 29 GLN NE2 N 113.332 0.02 1 303 . 30 GLN H H 7.023 0.01 1 304 . 30 GLN HA H 4.554 0.01 1 305 . 30 GLN HB2 H 2.051 0.01 1 306 . 30 GLN HB3 H 1.743 0.01 1 307 . 30 GLN HG2 H 2.192 0.01 2 308 . 30 GLN HE21 H 7.499 0.01 1 309 . 30 GLN HE22 H 6.808 0.01 1 310 . 30 GLN C C 175.029 0.05 1 311 . 30 GLN CA C 53.802 0.05 1 312 . 30 GLN CB C 30.346 0.05 1 313 . 30 GLN CG C 33.323 0.05 1 314 . 30 GLN N N 116.814 0.02 1 315 . 30 GLN NE2 N 112.035 0.02 1 316 . 31 PHE H H 8.918 0.01 1 317 . 31 PHE HA H 4.707 0.01 1 318 . 31 PHE HB2 H 2.860 0.01 1 319 . 31 PHE HB3 H 2.568 0.01 1 320 . 31 PHE HD2 H 6.998 0.01 3 321 . 31 PHE HE2 H 7.189 0.01 3 322 . 31 PHE HZ H 7.193 0.01 1 323 . 31 PHE C C 176.483 0.05 1 324 . 31 PHE CA C 59.486 0.05 1 325 . 31 PHE CB C 41.028 0.05 1 326 . 31 PHE CD2 C 131.340 0.05 3 327 . 31 PHE CE2 C 131.613 0.05 3 328 . 31 PHE CZ C 129.724 0.05 1 329 . 31 PHE N N 121.285 0.02 1 330 . 32 VAL H H 8.940 0.01 1 331 . 32 VAL HA H 4.727 0.01 1 332 . 32 VAL HB H 2.201 0.01 1 333 . 32 VAL HG1 H 0.889 0.01 2 334 . 32 VAL HG2 H 0.934 0.01 2 335 . 32 VAL C C 175.000 0.05 1 336 . 32 VAL CA C 59.552 0.05 1 337 . 32 VAL CB C 35.601 0.05 1 338 . 32 VAL CG1 C 21.732 0.05 1 339 . 32 VAL CG2 C 19.553 0.05 1 340 . 32 VAL N N 118.707 0.02 1 341 . 33 SER H H 8.581 0.01 1 342 . 33 SER HA H 4.929 0.01 1 343 . 33 SER HB2 H 3.950 0.01 1 344 . 33 SER HB3 H 3.889 0.01 1 345 . 33 SER C C 173.966 0.05 1 346 . 33 SER CA C 59.396 0.05 1 347 . 33 SER CB C 63.660 0.05 1 348 . 33 SER N N 118.363 0.02 1 349 . 34 THR H H 8.886 0.01 1 350 . 34 THR HA H 4.818 0.01 1 351 . 34 THR HB H 4.418 0.01 1 352 . 34 THR HG2 H 0.990 0.01 1 353 . 34 THR C C 170.936 0.05 1 354 . 34 THR CA C 59.980 0.05 1 355 . 34 THR CB C 69.602 0.05 1 356 . 34 THR CG2 C 19.444 0.05 1 357 . 34 THR N N 121.801 0.02 1 358 . 35 LYS H H 7.867 0.01 1 359 . 35 LYS HA H 5.856 0.01 1 360 . 35 LYS HB2 H 1.821 0.01 1 361 . 35 LYS HB3 H 1.618 0.01 1 362 . 35 LYS HG2 H 1.357 0.01 1 363 . 35 LYS HG3 H 1.289 0.01 1 364 . 35 LYS HD2 H 1.496 0.01 2 365 . 35 LYS HE2 H 2.872 0.01 2 366 . 35 LYS C C 175.276 0.05 1 367 . 35 LYS CA C 55.145 0.05 1 368 . 35 LYS CB C 37.022 0.05 1 369 . 35 LYS CG C 24.084 0.05 1 370 . 35 LYS CD C 29.490 0.05 1 371 . 35 LYS CE C 42.012 0.05 1 372 . 35 LYS N N 123.176 0.02 1 373 . 36 ILE H H 8.975 0.01 1 374 . 36 ILE HA H 4.599 0.01 1 375 . 36 ILE HB H 1.623 0.01 1 376 . 36 ILE HG12 H 0.979 0.01 2 377 . 36 ILE HG2 H 0.809 0.01 1 378 . 36 ILE HD1 H 0.572 0.01 1 379 . 36 ILE C C 172.292 0.05 1 380 . 36 ILE CA C 60.317 0.05 1 381 . 36 ILE CB C 42.071 0.05 1 382 . 36 ILE CG1 C 28.701 0.05 1 383 . 36 ILE CG2 C 17.262 0.05 1 384 . 36 ILE CD1 C 14.029 0.05 1 385 . 36 ILE N N 119.395 0.02 1 386 . 37 ASN H H 8.900 0.01 1 387 . 37 ASN HA H 4.741 0.01 1 388 . 37 ASN HB2 H 3.190 0.01 1 389 . 37 ASN HB3 H 2.844 0.01 1 390 . 37 ASN HD21 H 7.640 0.01 1 391 . 37 ASN HD22 H 7.287 0.01 1 392 . 37 ASN C C 176.592 0.05 1 393 . 37 ASN CA C 53.671 0.05 1 394 . 37 ASN CB C 37.873 0.05 1 395 . 37 ASN CG C 176.995 0.05 1 396 . 37 ASN N N 125.066 0.02 1 397 . 37 ASN ND2 N 112.727 0.02 1 398 . 38 LEU H H 9.249 0.01 1 399 . 38 LEU HA H 4.325 0.01 1 400 . 38 LEU HB2 H 2.214 0.01 1 401 . 38 LEU HB3 H 1.635 0.01 1 402 . 38 LEU HG H 1.978 0.01 1 403 . 38 LEU HD1 H 0.922 0.01 2 404 . 38 LEU HD2 H 0.821 0.01 2 405 . 38 LEU C C 179.024 0.05 1 406 . 38 LEU CA C 56.486 0.05 1 407 . 38 LEU CB C 42.133 0.05 1 408 . 38 LEU CG C 26.283 0.05 1 409 . 38 LEU CD1 C 22.232 0.05 1 410 . 38 LEU CD2 C 26.566 0.05 1 411 . 38 LEU N N 126.098 0.02 1 412 . 39 ASP H H 8.148 0.01 1 413 . 39 ASP HA H 5.102 0.01 1 414 . 39 ASP HB2 H 2.909 0.01 1 415 . 39 ASP HB3 H 2.787 0.01 1 416 . 39 ASP C C 178.627 0.05 1 417 . 39 ASP CA C 57.230 0.05 1 418 . 39 ASP CB C 40.541 0.05 1 419 . 39 ASP N N 119.098 0.02 1 420 . 40 ASP H H 7.389 0.01 1 421 . 40 ASP HA H 4.348 0.01 1 422 . 40 ASP HB2 H 2.268 0.01 2 423 . 40 ASP C C 176.766 0.05 1 424 . 40 ASP CA C 56.386 0.05 1 425 . 40 ASP CB C 40.265 0.05 1 426 . 40 ASP N N 114.140 0.02 1 427 . 41 HIS H H 7.395 0.01 1 428 . 41 HIS HA H 4.069 0.01 1 429 . 41 HIS HB2 H 1.950 0.01 2 430 . 41 HIS HD2 H 6.690 0.01 1 431 . 41 HIS HE1 H 7.921 0.01 1 432 . 41 HIS C C 171.459 0.05 1 433 . 41 HIS CA C 54.590 0.05 1 434 . 41 HIS CB C 32.433 0.05 1 435 . 41 HIS CD2 C 119.965 0.05 1 436 . 41 HIS CE1 C 136.725 0.05 1 437 . 41 HIS N N 113.551 0.02 1 438 . 41 HIS ND1 N 180.512 0.02 1 439 . 41 HIS NE2 N 178.452 0.02 1 440 . 42 ILE H H 7.248 0.01 1 441 . 42 ILE HA H 4.820 0.01 1 442 . 42 ILE HB H 1.512 0.01 1 443 . 42 ILE HG12 H 1.524 0.01 2 444 . 42 ILE HG2 H 0.249 0.01 1 445 . 42 ILE HD1 H 0.453 0.01 1 446 . 42 ILE C C 172.815 0.05 1 447 . 42 ILE CA C 61.121 0.05 1 448 . 42 ILE CB C 39.588 0.05 1 449 . 42 ILE CG1 C 28.702 0.05 1 450 . 42 ILE CG2 C 18.007 0.05 1 451 . 42 ILE CD1 C 16.223 0.05 1 452 . 42 ILE N N 119.025 0.02 1 453 . 43 ALA H H 8.489 0.01 1 454 . 43 ALA HA H 4.467 0.01 1 455 . 43 ALA HB H 1.086 0.01 1 456 . 43 ALA C C 175.742 0.05 1 457 . 43 ALA CA C 49.808 0.05 1 458 . 43 ALA CB C 23.310 0.05 1 459 . 43 ALA N N 127.808 0.02 1 460 . 44 ASN H H 8.513 0.01 1 461 . 44 ASN HA H 4.635 0.01 1 462 . 44 ASN HB2 H 2.750 0.01 2 463 . 44 ASN HD21 H 8.420 0.01 1 464 . 44 ASN HD22 H 7.946 0.01 1 465 . 44 ASN C C 175.712 0.05 1 466 . 44 ASN CA C 51.464 0.05 1 467 . 44 ASN CB C 39.091 0.05 1 468 . 44 ASN CG C 175.722 0.05 1 469 . 44 ASN N N 116.149 0.02 1 470 . 44 ASN ND2 N 112.035 0.02 1 471 . 45 ILE H H 8.724 0.01 1 472 . 45 ILE HA H 4.314 0.01 1 473 . 45 ILE HB H 1.960 0.01 1 474 . 45 ILE HG12 H 1.157 0.01 1 475 . 45 ILE HG13 H 1.259 0.01 1 476 . 45 ILE HG2 H 0.806 0.01 1 477 . 45 ILE HD1 H 0.627 0.01 1 478 . 45 ILE C C 176.139 0.05 1 479 . 45 ILE CA C 57.881 0.05 1 480 . 45 ILE CB C 35.085 0.05 1 481 . 45 ILE CG1 C 26.240 0.05 1 482 . 45 ILE CG2 C 16.576 0.05 1 483 . 45 ILE CD1 C 9.768 0.05 1 484 . 45 ILE N N 126.947 0.02 1 485 . 46 ASP H H 9.080 0.01 1 486 . 46 ASP HA H 4.326 0.01 1 487 . 46 ASP HB2 H 2.983 0.01 1 488 . 46 ASP HB3 H 2.342 0.01 1 489 . 46 ASP C C 174.819 0.05 1 490 . 46 ASP CA C 55.044 0.05 1 491 . 46 ASP CB C 40.247 0.05 1 492 . 46 ASP N N 127.905 0.02 1 493 . 47 GLY H H 8.836 0.01 1 494 . 47 GLY HA2 H 3.959 0.01 1 495 . 47 GLY HA3 H 3.212 0.01 1 496 . 47 GLY C C 173.176 0.05 1 497 . 47 GLY CA C 45.978 0.05 1 498 . 47 GLY N N 108.351 0.02 1 499 . 48 THR H H 7.664 0.01 1 500 . 48 THR HA H 4.403 0.01 1 501 . 48 THR HB H 3.896 0.01 1 502 . 48 THR HG2 H 1.172 0.01 1 503 . 48 THR C C 172.598 0.05 1 504 . 48 THR CA C 61.470 0.05 1 505 . 48 THR CB C 71.475 0.05 1 506 . 48 THR CG2 C 21.827 0.05 1 507 . 48 THR N N 118.879 0.02 1 508 . 49 LEU H H 8.146 0.01 1 509 . 49 LEU HA H 4.702 0.01 1 510 . 49 LEU HB2 H 1.317 0.01 1 511 . 49 LEU HB3 H 0.672 0.01 1 512 . 49 LEU HG H 1.671 0.01 1 513 . 49 LEU HD1 H 0.364 0.01 2 514 . 49 LEU HD2 H 0.442 0.01 2 515 . 49 LEU C C 176.888 0.05 1 516 . 49 LEU CA C 54.614 0.05 1 517 . 49 LEU CB C 43.409 0.05 1 518 . 49 LEU CG C 26.435 0.05 1 519 . 49 LEU CD1 C 24.071 0.05 1 520 . 49 LEU CD2 C 26.466 0.05 1 521 . 49 LEU N N 126.267 0.02 1 522 . 50 LYS H H 8.763 0.01 1 523 . 50 LYS HA H 4.606 0.01 1 524 . 50 LYS HB2 H 1.718 0.01 1 525 . 50 LYS HB3 H 1.440 0.01 1 526 . 50 LYS HG2 H 1.334 0.01 2 527 . 50 LYS HD2 H 1.677 0.01 2 528 . 50 LYS HE2 H 2.973 0.01 2 529 . 50 LYS C C 175.13 0.05 1 530 . 50 LYS CA C 53.958 0.05 1 531 . 50 LYS CB C 37.650 0.05 1 532 . 50 LYS CG C 25.067 0.05 1 533 . 50 LYS CD C 28.867 0.05 1 534 . 50 LYS CE C 42.087 0.05 1 535 . 50 LYS N N 120.668 0.02 1 536 . 51 TRP H H 8.860 0.01 1 537 . 51 TRP HA H 5.061 0.01 1 538 . 51 TRP HB2 H 3.421 0.01 1 539 . 51 TRP HB3 H 3.016 0.01 1 540 . 51 TRP HD1 H 7.271 0.01 2 541 . 51 TRP HE1 H 10.024 0.01 1 542 . 51 TRP HE3 H 7.386 0.01 1 543 . 51 TRP HZ3 H 6.664 0.01 1 544 . 51 TRP C C 173.737 0.05 1 545 . 51 TRP CA C 55.951 0.05 1 546 . 51 TRP CB C 27.528 0.05 1 547 . 51 TRP CD1 C 127.986 0.05 1 548 . 51 TRP CE3 C 121.802 0.05 1 549 . 51 TRP CZ3 C 120.381 0.05 1 550 . 51 TRP N N 123.139 0.02 1 551 . 51 TRP NE1 N 129.331 0.02 1 552 . 52 GLN H H 8.018 0.01 1 553 . 52 GLN HA H 4.416 0.01 1 554 . 52 GLN HB2 H 2.189 0.01 1 555 . 52 GLN HB3 H 1.861 0.01 1 556 . 52 GLN HG2 H 1.949 0.01 1 557 . 52 GLN HG3 H 1.885 0.01 1 558 . 52 GLN HE21 H 7.402 0.01 1 559 . 52 GLN HE22 H 6.762 0.01 1 560 . 52 GLN CA C 53.857 0.05 1 561 . 52 GLN CB C 29.895 0.05 1 562 . 52 GLN CG C 33.251 0.05 1 563 . 52 GLN CD C 180.423 0.05 1 564 . 52 GLN N N 128.169 0.02 1 565 . 52 GLN NE2 N 111.953 0.02 1 566 . 53 PRO HA H 3.914 0.01 1 567 . 53 PRO HB2 H 2.196 0.01 1 568 . 53 PRO HB3 H 1.797 0.01 1 569 . 53 PRO HG2 H 2.036 0.01 1 570 . 53 PRO HG3 H 1.800 0.01 1 571 . 53 PRO HD2 H 3.435 0.01 2 572 . 53 PRO C C 178.152 0.05 1 573 . 53 PRO CA C 60.567 0.05 1 574 . 53 PRO CB C 32.500 0.05 1 575 . 53 PRO CG C 28.059 0.05 1 576 . 53 PRO CD C 49.832 0.05 1 577 . 54 SER H H 7.029 0.01 1 578 . 54 SER HA H 4.322 0.01 1 579 . 54 SER HB2 H 4.226 0.01 1 580 . 54 SER HB3 H 3.729 0.01 1 581 . 54 SER C C 174.456 0.05 1 582 . 54 SER CA C 58.770 0.05 1 583 . 54 SER CB C 67.763 0.05 1 584 . 54 SER N N 115.613 0.02 1 585 . 55 ASN H H 10.300 0.01 1 586 . 55 ASN HA H 4.547 0.01 1 587 . 55 ASN HB2 H 2.977 0.01 1 588 . 55 ASN HB3 H 2.860 0.01 1 589 . 55 ASN HD21 H 7.438 0.01 1 590 . 55 ASN HD22 H 6.682 0.01 1 591 . 55 ASN C C 177.749 0.05 1 592 . 55 ASN CA C 54.692 0.05 1 593 . 55 ASN CB C 35.625 0.05 1 594 . 55 ASN CG C 178.061 0.05 1 595 . 55 ASN N N 111.869 0.02 1 596 . 55 ASN ND2 N 110.842 0.02 1 597 . 56 PHE H H 8.618 0.01 1 598 . 56 PHE HA H 4.240 0.01 1 599 . 56 PHE HB2 H 2.948 0.01 1 600 . 56 PHE HB3 H 2.640 0.01 1 601 . 56 PHE HD2 H 6.966 0.01 3 602 . 56 PHE HE2 H 6.900 0.01 3 603 . 56 PHE HZ H 6.908 0.01 1 604 . 56 PHE C C 175.228 0.05 1 605 . 56 PHE CA C 61.182 0.05 1 606 . 56 PHE CB C 36.868 0.05 1 607 . 56 PHE CD2 C 133.386 0.05 3 608 . 56 PHE CE2 C 132.992 0.05 3 609 . 56 PHE CZ C 128.630 0.05 1 610 . 56 PHE N N 120.498 0.02 1 611 . 57 SER H H 7.570 0.01 1 612 . 57 SER HA H 3.049 0.01 1 613 . 57 SER HB2 H 3.390 0.01 1 614 . 57 SER HB3 H 2.827 0.01 1 615 . 57 SER C C 175.828 0.05 1 616 . 57 SER CA C 61.376 0.05 1 617 . 57 SER CB C 61.403 0.05 1 618 . 57 SER N N 115.263 0.02 1 619 . 58 GLN H H 7.350 0.01 1 620 . 58 GLN HA H 4.131 0.01 1 621 . 58 GLN HB2 H 2.232 0.01 1 622 . 58 GLN HB3 H 2.107 0.01 1 623 . 58 GLN HG2 H 2.439 0.01 2 624 . 58 GLN HE21 H 7.528 0.01 1 625 . 58 GLN HE22 H 6.748 0.01 1 626 . 58 GLN C C 178.039 0.05 1 627 . 58 GLN CA C 57.878 0.05 1 628 . 58 GLN CB C 29.078 0.05 1 629 . 58 GLN CG C 34.210 0.05 1 630 . 58 GLN CD C 179.776 0.05 1 631 . 58 GLN N N 118.541 0.02 1 632 . 58 GLN NE2 N 111.800 0.02 1 633 . 59 THR H H 7.573 0.01 1 634 . 59 THR HA H 4.711 0.01 1 635 . 59 THR HB H 4.663 0.01 1 636 . 59 THR HG2 H 1.192 0.01 1 637 . 59 THR C C 172.024 0.05 1 638 . 59 THR CA C 60.496 0.05 1 639 . 59 THR CB C 69.070 0.05 1 640 . 59 THR CG2 C 21.841 0.05 1 641 . 59 THR N N 105.613 0.02 1 642 . 60 CYS H H 6.947 0.01 1 643 . 60 CYS HA H 5.796 0.01 1 644 . 60 CYS HB2 H 3.826 0.01 1 645 . 60 CYS HB3 H 2.689 0.01 1 646 . 60 CYS C C 172.837 0.05 1 647 . 60 CYS CA C 56.610 0.05 1 648 . 60 CYS CB C 49.438 0.05 1 649 . 60 CYS N N 118.890 0.02 1 650 . 61 TYR H H 9.664 0.01 1 651 . 61 TYR HA H 4.781 0.01 1 652 . 61 TYR HB2 H 3.032 0.01 1 653 . 61 TYR HB3 H 2.908 0.01 1 654 . 61 TYR HD2 H 6.936 0.01 3 655 . 61 TYR HE2 H 6.337 0.01 3 656 . 61 TYR C C 172.643 0.05 1 657 . 61 TYR CA C 56.480 0.05 1 658 . 61 TYR CB C 40.516 0.05 1 659 . 61 TYR CD2 C 133.600 0.05 3 660 . 61 TYR CE2 C 117.748 0.05 3 661 . 61 TYR N N 120.282 0.02 1 662 . 62 ASN H H 8.949 0.01 1 663 . 62 ASN HA H 4.442 0.01 1 664 . 62 ASN HB2 H 3.043 0.01 1 665 . 62 ASN HB3 H 2.606 0.01 1 666 . 62 ASN HD21 H 7.527 0.01 1 667 . 62 ASN HD22 H 6.830 0.01 1 668 . 62 ASN C C 176.108 0.05 1 669 . 62 ASN CA C 53.473 0.05 1 670 . 62 ASN CB C 36.240 0.05 1 671 . 62 ASN CG C 178.300 0.05 1 672 . 62 ASN N N 115.182 0.02 1 673 . 62 ASN ND2 N 111.117 0.02 1 674 . 63 SER H H 8.248 0.01 1 675 . 63 SER HA H 5.399 0.01 1 676 . 63 SER HB2 H 3.777 0.01 1 677 . 63 SER HB3 H 3.679 0.01 1 678 . 63 SER C C 174.088 0.05 1 679 . 63 SER CA C 58.650 0.05 1 680 . 63 SER CB C 64.161 0.05 1 681 . 63 SER N N 115.441 0.02 1 682 . 64 ALA H H 9.202 0.01 1 683 . 64 ALA HA H 4.517 0.01 1 684 . 64 ALA HB H 1.346 0.01 1 685 . 64 ALA C C 174.933 0.05 1 686 . 64 ALA CA C 52.264 0.05 1 687 . 64 ALA CB C 22.447 0.05 1 688 . 64 ALA N N 125.018 0.02 1 689 . 65 ILE H H 8.488 0.01 1 690 . 65 ILE HA H 5.085 0.01 1 691 . 65 ILE HB H 1.399 0.01 1 692 . 65 ILE HG12 H 1.410 0.01 1 693 . 65 ILE HG13 H 0.922 0.01 1 694 . 65 ILE HG2 H 0.576 0.01 1 695 . 65 ILE HD1 H 0.719 0.01 1 696 . 65 ILE C C 174.690 0.05 1 697 . 65 ILE CA C 58.912 0.05 1 698 . 65 ILE CB C 40.606 0.05 1 699 . 65 ILE CG1 C 28.961 0.05 1 700 . 65 ILE CG2 C 16.220 0.05 1 701 . 65 ILE CD1 C 13.692 0.05 1 702 . 65 ILE N N 120.066 0.02 1 703 . 66 GLN H H 8.343 0.01 1 704 . 66 GLN HA H 4.545 0.01 1 705 . 66 GLN HB2 H 2.007 0.01 1 706 . 66 GLN HB3 H 1.906 0.01 1 707 . 66 GLN HG2 H 2.248 0.01 2 708 . 66 GLN HE21 H 7.401 0.01 1 709 . 66 GLN HE22 H 6.855 0.01 1 710 . 66 GLN C C 176.466 0.05 1 711 . 66 GLN CA C 54.607 0.05 1 712 . 66 GLN CB C 30.453 0.05 1 713 . 66 GLN CG C 33.779 0.05 1 714 . 66 GLN CD C 180.145 0.05 1 715 . 66 GLN N N 127.539 0.02 1 716 . 66 GLN NE2 N 112.684 0.02 1 717 . 67 GLY H H 9.548 0.01 1 718 . 67 GLY HA2 H 4.132 0.01 1 719 . 67 GLY HA3 H 3.501 0.01 1 720 . 67 GLY C C 173.905 0.05 1 721 . 67 GLY CA C 46.759 0.05 1 722 . 67 GLY N N 118.516 0.02 1 723 . 68 SER H H 9.139 0.01 1 724 . 68 SER HA H 4.568 0.01 1 725 . 68 SER HB2 H 4.376 0.01 1 726 . 68 SER HB3 H 3.026 0.01 1 727 . 68 SER C C 172.440 0.05 1 728 . 68 SER CA C 57.767 0.05 1 729 . 68 SER CB C 64.629 0.05 1 730 . 68 SER N N 120.844 0.02 1 731 . 69 VAL H H 8.098 0.01 1 732 . 69 VAL HA H 4.519 0.01 1 733 . 69 VAL HB H 2.173 0.01 1 734 . 69 VAL HG1 H 0.883 0.01 2 735 . 69 VAL HG2 H 0.779 0.01 2 736 . 69 VAL C C 175.605 0.05 1 737 . 69 VAL CA C 63.336 0.05 1 738 . 69 VAL CB C 33.258 0.05 1 739 . 69 VAL CG1 C 21.797 0.05 1 740 . 69 VAL CG2 C 21.797 0.05 1 741 . 69 VAL N N 123.424 0.02 1 742 . 70 LEU H H 8.796 0.01 1 743 . 70 LEU HA H 5.144 0.01 1 744 . 70 LEU HB2 H 1.813 0.01 1 745 . 70 LEU HB3 H 1.092 0.01 1 746 . 70 LEU HG H 1.125 0.01 1 747 . 70 LEU HD1 H 0.762 0.01 2 748 . 70 LEU HD2 H 0.338 0.01 2 749 . 70 LEU C C 174.359 0.05 1 750 . 70 LEU CA C 53.691 0.05 1 751 . 70 LEU CB C 44.363 0.05 1 752 . 70 LEU CG C 27.422 0.05 1 753 . 70 LEU CD1 C 23.077 0.05 1 754 . 70 LEU CD2 C 27.071 0.05 1 755 . 70 LEU N N 133.110 0.02 1 756 . 71 THR H H 9.129 0.01 1 757 . 71 THR HA H 5.300 0.01 1 758 . 71 THR HB H 3.745 0.01 1 759 . 71 THR HG2 H 1.123 0.01 1 760 . 71 THR C C 173.069 0.05 1 761 . 71 THR CA C 61.290 0.05 1 762 . 71 THR CB C 71.780 0.05 1 763 . 71 THR CG2 C 21.096 0.05 1 764 . 71 THR N N 124.181 0.02 1 765 . 72 SER H H 8.727 0.01 1 766 . 72 SER HA H 4.381 0.01 1 767 . 72 SER HB2 H 3.554 0.01 1 768 . 72 SER HB3 H 3.456 0.01 1 769 . 72 SER C C 173.745 0.05 1 770 . 72 SER CA C 59.761 0.05 1 771 . 72 SER CB C 64.419 0.05 1 772 . 72 SER N N 117.332 0.02 1 773 . 73 THR H H 8.684 0.01 1 774 . 73 THR HA H 4.878 0.01 1 775 . 73 THR HB H 3.440 0.01 1 776 . 73 THR HG2 H 0.933 0.01 1 777 . 73 THR C C 173.212 0.05 1 778 . 73 THR CA C 62.775 0.05 1 779 . 73 THR CB C 69.765 0.05 1 780 . 73 THR CG2 C 21.900 0.05 1 781 . 73 THR N N 124.193 0.02 1 782 . 74 CYS H H 9.180 0.01 1 783 . 74 CYS HA H 5.473 0.01 1 784 . 74 CYS HB2 H 3.130 0.01 1 785 . 74 CYS HB3 H 2.623 0.01 1 786 . 74 CYS C C 174.524 0.05 1 787 . 74 CYS CA C 56.179 0.05 1 788 . 74 CYS CB C 46.049 0.05 1 789 . 74 CYS N N 123.590 0.02 1 790 . 75 GLU H H 8.657 0.01 1 791 . 75 GLU HA H 3.952 0.01 1 792 . 75 GLU HB2 H 1.965 0.01 1 793 . 75 GLU HB3 H 1.878 0.01 1 794 . 75 GLU HG2 H 2.443 0.01 1 795 . 75 GLU HG3 H 2.213 0.01 1 796 . 75 GLU C C 177.578 0.05 1 797 . 75 GLU CA C 57.100 0.05 1 798 . 75 GLU CB C 31.276 0.05 1 799 . 75 GLU CG C 36.216 0.05 1 800 . 75 GLU N N 123.271 0.02 1 801 . 76 ARG H H 8.433 0.01 1 802 . 76 ARG HA H 4.045 0.01 1 803 . 76 ARG HB2 H 1.999 0.01 1 804 . 76 ARG HB3 H 1.511 0.01 1 805 . 76 ARG HG2 H 1.371 0.01 1 806 . 76 ARG HG3 H 1.232 0.01 1 807 . 76 ARG HD2 H 3.061 0.01 2 808 . 76 ARG HE H 6.563 0.01 1 809 . 76 ARG C C 177.600 0.05 1 810 . 76 ARG CA C 56.163 0.05 1 811 . 76 ARG CB C 30.372 0.05 1 812 . 76 ARG CG C 27.905 0.05 1 813 . 76 ARG CD C 43.470 0.05 1 814 . 76 ARG CZ C 159.665 0.05 1 815 . 76 ARG N N 123.756 0.02 1 816 . 76 ARG NE N 83.838 0.02 1 817 . 77 THR H H 9.279 0.01 1 818 . 77 THR HA H 3.882 0.01 1 819 . 77 THR HB H 3.945 0.01 1 820 . 77 THR HG2 H 1.219 0.01 1 821 . 77 THR C C 175.837 0.05 1 822 . 77 THR CA C 66.459 0.05 1 823 . 77 THR CB C 69.005 0.05 1 824 . 77 THR CG2 C 22.107 0.05 1 825 . 77 THR N N 119.451 0.02 1 826 . 78 ASN H H 8.500 0.01 1 827 . 78 ASN HA H 4.802 0.01 1 828 . 78 ASN HB2 H 2.923 0.01 1 829 . 78 ASN HB3 H 2.752 0.01 1 830 . 78 ASN HD21 H 7.542 0.01 1 831 . 78 ASN HD22 H 6.756 0.01 1 832 . 78 ASN C C 175.290 0.05 1 833 . 78 ASN CA C 52.845 0.05 1 834 . 78 ASN CB C 38.047 0.05 1 835 . 78 ASN CG C 177.488 0.05 1 836 . 78 ASN N N 116.268 0.02 1 837 . 78 ASN ND2 N 111.944 0.02 1 838 . 79 GLY H H 7.255 0.01 1 839 . 79 GLY HA2 H 4.419 0.01 1 840 . 79 GLY HA3 H 3.662 0.01 1 841 . 79 GLY C C 174.319 0.05 1 842 . 79 GLY CA C 44.53 0.05 1 843 . 79 GLY N N 107.748 0.02 1 844 . 80 GLY H H 8.101 0.01 1 845 . 80 GLY HA2 H 4.154 0.01 1 846 . 80 GLY HA3 H 3.786 0.01 1 847 . 80 GLY C C 172.277 0.05 1 848 . 80 GLY CA C 44.237 0.05 1 849 . 80 GLY N N 108.007 0.02 1 850 . 81 TYR H H 8.421 0.01 1 851 . 81 TYR HA H 5.331 0.01 1 852 . 81 TYR HB2 H 2.770 0.01 1 853 . 81 TYR HB3 H 2.673 0.01 1 854 . 81 TYR HD2 H 6.899 0.01 3 855 . 81 TYR HE2 H 6.854 0.01 3 856 . 81 TYR C C 175.316 0.05 1 857 . 81 TYR CA C 57.602 0.05 1 858 . 81 TYR CB C 43.021 0.05 1 859 . 81 TYR CD2 C 132.929 0.05 3 860 . 81 TYR CE2 C 118.369 0.05 3 861 . 81 TYR N N 115.465 0.02 1 862 . 82 ASN H H 9.047 0.01 1 863 . 82 ASN HA H 5.074 0.01 1 864 . 82 ASN HB2 H 3.167 0.01 1 865 . 82 ASN HB3 H 2.404 0.01 1 866 . 82 ASN C C 173.457 0.05 1 867 . 82 ASN CA C 52.876 0.05 1 868 . 82 ASN CB C 42.900 0.05 1 869 . 82 ASN N N 118.259 0.02 1 870 . 83 THR H H 8.734 0.01 1 871 . 83 THR HA H 5.261 0.01 1 872 . 83 THR HB H 3.908 0.01 1 873 . 83 THR HG2 H 1.105 0.01 1 874 . 83 THR C C 172.608 0.05 1 875 . 83 THR CA C 63.028 0.05 1 876 . 83 THR CB C 69.643 0.05 1 877 . 83 THR CG2 C 21.734 0.05 2 878 . 83 THR N N 125.569 0.02 1 879 . 84 SER H H 8.856 0.01 1 880 . 84 SER HA H 4.874 0.01 1 881 . 84 SER HB2 H 4.191 0.01 1 882 . 84 SER HB3 H 3.731 0.01 1 883 . 84 SER C C 171.243 0.05 1 884 . 84 SER CA C 57.561 0.05 1 885 . 84 SER CB C 67.150 0.05 1 886 . 84 SER N N 123.251 0.02 1 887 . 85 SER H H 8.171 0.01 1 888 . 85 SER HA H 6.039 0.01 1 889 . 85 SER HB2 H 3.690 0.01 1 890 . 85 SER HB3 H 3.444 0.01 1 891 . 85 SER C C 173.616 0.05 1 892 . 85 SER CA C 56.842 0.05 1 893 . 85 SER CB C 67.567 0.05 1 894 . 85 SER N N 112.031 0.02 1 895 . 86 ILE H H 9.371 0.01 1 896 . 86 ILE HA H 4.423 0.01 1 897 . 86 ILE HB H 1.422 0.01 1 898 . 86 ILE HG12 H 1.525 0.01 1 899 . 86 ILE HG13 H 0.749 0.01 1 900 . 86 ILE HG2 H 0.728 0.01 1 901 . 86 ILE HD1 H 0.666 0.01 1 902 . 86 ILE C C 172.160 0.05 1 903 . 86 ILE CA C 60.232 0.05 1 904 . 86 ILE CB C 42.532 0.05 1 905 . 86 ILE CG1 C 28.663 0.05 1 906 . 86 ILE CG2 C 16.978 0.05 1 907 . 86 ILE CD1 C 13.393 0.05 1 908 . 86 ILE N N 122.230 0.02 1 909 . 87 ASP H H 8.814 0.01 1 910 . 87 ASP HA H 4.836 0.01 1 911 . 87 ASP HB2 H 3.034 0.01 1 912 . 87 ASP HB3 H 2.480 0.01 1 913 . 87 ASP C C 177.470 0.05 1 914 . 87 ASP CA C 53.332 0.05 1 915 . 87 ASP CB C 39.989 0.05 1 916 . 87 ASP N N 125.693 0.02 1 917 . 88 LEU H H 9.355 0.01 1 918 . 88 LEU HA H 4.234 0.01 1 919 . 88 LEU HB2 H 2.194 0.01 1 920 . 88 LEU HB3 H 1.593 0.01 1 921 . 88 LEU HG H 2.043 0.01 1 922 . 88 LEU HD1 H 0.815 0.01 2 923 . 88 LEU HD2 H 0.820 0.01 2 924 . 88 LEU C C 178.577 0.05 1 925 . 88 LEU CA C 55.921 0.05 1 926 . 88 LEU CB C 41.734 0.05 1 927 . 88 LEU CG C 26.814 0.05 1 928 . 88 LEU CD1 C 23.156 0.05 1 929 . 88 LEU CD2 C 26.933 0.05 1 930 . 88 LEU N N 127.227 0.02 1 931 . 89 ASN H H 8.873 0.01 1 932 . 89 ASN HA H 4.882 0.01 1 933 . 89 ASN HB2 H 2.837 0.01 1 934 . 89 ASN HB3 H 2.480 0.01 1 935 . 89 ASN HD21 H 7.358 0.01 1 936 . 89 ASN HD22 H 6.782 0.01 1 937 . 89 ASN C C 176.121 0.05 1 938 . 89 ASN CA C 55.400 0.05 1 939 . 89 ASN CB C 39.627 0.05 1 940 . 89 ASN CG C 175.971 0.05 1 941 . 89 ASN N N 117.504 0.02 1 942 . 89 ASN ND2 N 115.054 0.02 1 943 . 90 SER H H 7.658 0.01 1 944 . 90 SER HA H 4.380 0.01 1 945 . 90 SER HB2 H 3.924 0.01 1 946 . 90 SER HB3 H 3.875 0.01 1 947 . 90 SER C C 174.635 0.05 1 948 . 90 SER CA C 59.987 0.05 1 949 . 90 SER CB C 63.716 0.05 1 950 . 90 SER N N 109.808 0.02 1 951 . 91 VAL H H 6.787 0.01 1 952 . 91 VAL HA H 4.090 0.01 1 953 . 91 VAL HB H 1.140 0.01 1 954 . 91 VAL HG1 H 0.016 0.01 2 955 . 91 VAL HG2 H -0.416 0.01 2 956 . 91 VAL C C 174.812 0.05 1 957 . 91 VAL CA C 61.863 0.05 1 958 . 91 VAL CB C 35.228 0.05 1 959 . 91 VAL CG1 C 21.502 0.05 1 960 . 91 VAL CG2 C 17.967 0.05 1 961 . 91 VAL N N 110.835 0.02 1 962 . 92 ILE H H 7.460 0.01 1 963 . 92 ILE HA H 4.249 0.01 1 964 . 92 ILE HB H 1.520 0.01 1 965 . 92 ILE HG12 H 1.453 0.01 1 966 . 92 ILE HG13 H 0.991 0.01 1 967 . 92 ILE HG2 H 0.281 0.01 1 968 . 92 ILE HD1 H 0.521 0.01 1 969 . 92 ILE C C 173.234 0.05 1 970 . 92 ILE CA C 61.317 0.05 1 971 . 92 ILE CB C 37.932 0.05 1 972 . 92 ILE CG1 C 28.704 0.05 1 973 . 92 ILE CG2 C 18.568 0.05 1 974 . 92 ILE CD1 C 13.917 0.05 1 975 . 92 ILE N N 120.841 0.02 1 976 . 93 GLU H H 8.754 0.01 1 977 . 93 GLU HA H 4.518 0.01 1 978 . 93 GLU HB2 H 1.814 0.01 1 979 . 93 GLU HB3 H 1.845 0.01 1 980 . 93 GLU HG2 H 2.173 0.01 2 981 . 93 GLU C C 174.734 0.05 1 982 . 93 GLU CA C 53.993 0.05 1 983 . 93 GLU CB C 34.216 0.05 1 984 . 93 GLU CG C 35.629 0.05 1 985 . 93 GLU N N 125.756 0.02 1 986 . 94 ASN H H 8.628 0.01 1 987 . 94 ASN HA H 4.874 0.01 1 988 . 94 ASN HB2 H 2.731 0.01 1 989 . 94 ASN HB3 H 2.552 0.01 1 990 . 94 ASN HD21 H 8.158 0.01 1 991 . 94 ASN HD22 H 7.582 0.01 1 992 . 94 ASN C C 176.197 0.05 1 993 . 94 ASN CA C 51.661 0.05 1 994 . 94 ASN CB C 39.052 0.05 1 995 . 94 ASN CG C 174.962 0.05 1 996 . 94 ASN N N 118.248 0.02 1 997 . 94 ASN ND2 N 110.680 0.02 1 998 . 95 VAL H H 9.062 0.01 1 999 . 95 VAL HA H 4.072 0.01 1 1000 . 95 VAL HB H 1.890 0.01 1 1001 . 95 VAL HG1 H 0.838 0.01 2 1002 . 95 VAL HG2 H 0.788 0.01 2 1003 . 95 VAL C C 175.946 0.05 1 1004 . 95 VAL CA C 61.604 0.05 1 1005 . 95 VAL CB C 31.624 0.05 1 1006 . 95 VAL CG1 C 21.095 0.05 1 1007 . 95 VAL CG2 C 21.095 0.05 1 1008 . 95 VAL N N 129.025 0.02 1 1009 . 96 ASP H H 9.105 0.01 1 1010 . 96 ASP HA H 4.194 0.01 1 1011 . 96 ASP HB2 H 3.111 0.01 1 1012 . 96 ASP HB3 H 2.192 0.01 1 1013 . 96 ASP C C 174.177 0.05 1 1014 . 96 ASP CA C 55.203 0.05 1 1015 . 96 ASP CB C 40.561 0.05 1 1016 . 96 ASP CG C 180.171 0.05 1 1017 . 96 ASP N N 128.262 0.02 1 1018 . 97 GLY H H 8.364 0.01 1 1019 . 97 GLY HA2 H 3.936 0.01 1 1020 . 97 GLY HA3 H 2.897 0.01 1 1021 . 97 GLY C C 172.003 0.05 1 1022 . 97 GLY CA C 45.494 0.05 1 1023 . 97 GLY N N 108.231 0.02 1 1024 . 98 SER H H 7.358 0.01 1 1025 . 98 SER HA H 4.858 0.01 1 1026 . 98 SER HB2 H 3.676 0.01 2 1027 . 98 SER HB3 H 3.640 0.01 2 1028 . 98 SER C C 173.662 0.05 1 1029 . 98 SER CA C 56.185 0.05 1 1030 . 98 SER CB C 65.316 0.05 1 1031 . 98 SER N N 112.812 0.02 1 1032 . 99 LEU H H 7.759 0.01 1 1033 . 99 LEU HA H 4.806 0.01 1 1034 . 99 LEU HB2 H 1.336 0.01 1 1035 . 99 LEU HB3 H 0.730 0.01 1 1036 . 99 LEU HG H 1.656 0.01 1 1037 . 99 LEU HD1 H 0.412 0.01 2 1038 . 99 LEU HD2 H 0.334 0.01 2 1039 . 99 LEU C C 176.806 0.05 1 1040 . 99 LEU CA C 54.393 0.05 1 1041 . 99 LEU CB C 42.396 0.05 1 1042 . 99 LEU CG C 26.102 0.05 1 1043 . 99 LEU CD1 C 26.562 0.05 1 1044 . 99 LEU CD2 C 24.026 0.05 1 1045 . 99 LEU N N 125.256 0.02 1 1046 . 100 LYS H H 8.941 0.01 1 1047 . 100 LYS HA H 4.538 0.01 1 1048 . 100 LYS HB2 H 1.766 0.01 1 1049 . 100 LYS HB3 H 1.542 0.01 1 1050 . 100 LYS HG2 H 1.251 0.01 1 1051 . 100 LYS HD2 H 1.600 0.01 2 1052 . 100 LYS HE2 H 2.845 0.01 2 1053 . 100 LYS C C 121.156 0.05 1 1054 . 100 LYS CA C 54.4 0.05 1 1055 . 100 LYS CB C 37.195 0.05 1 1056 . 100 LYS CD C 28.745 0.05 1 1057 . 100 LYS CG C 25.136 0.05 1 1058 . 100 LYS CE C 41.757 0.05 1 1059 . 100 LYS N N 121.973 0.02 1 1060 . 101 TYR HD2 H 6.846 0.01 3 1061 . 101 TYR HE2 H 6.754 0.01 3 1062 . 101 TYR CD2 C 133.219 0.05 3 1063 . 101 TYR CE2 C 118.446 0.05 3 stop_ save_