data_16737 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,13C and 15N chemical shift assignment for NMB1343 apoprotein ; _BMRB_accession_number 16737 _BMRB_flat_file_name bmr16737.str _Entry_type original _Submission_date 2010-02-19 _Accession_date 2010-02-19 _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 Koehler Christian . . 2 Carlier Ludovic . . 3 Veggi Daniele . . 4 Soriani Marco . . 5 Pizza Mariagrazia . . 6 Boelens Rolf . . 7 Bonvin Alexandre M.J.J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 876 "13C chemical shifts" 590 "15N chemical shifts" 157 "T1 relaxation values" 107 "T2 relaxation values" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-20 original author . stop_ _Original_release_date 2011-05-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and Biochemical Characterization of NarE, an Iron-containing ADP-ribosyltransferase from Neisseria meningitidis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21367854 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Koehler Christian . . 2 Carlier Ludovic . . 3 Veggi Daniele . . 4 Balducci Enrico . . 5 'Di Marcello' Federica . . 6 Ferrer-Navarro Mario . . 7 Pizza Mariagrazia . . 8 Daura Xavier . . 9 Soriani Marco . . 10 Boelens Rolf . . 11 Bonvin 'Alexandre M J J' . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14842 _Page_last 14851 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NMB1343 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NMB1343 $NMB1343 stop_ _System_molecular_weight 16000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function ADP-ribosyltransferase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NMB1343 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NMB1343 _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' loop_ _Biological_function ADP-ribosyltransferase stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; MGNFLYRGISCQQDEQNNGQ LKPKGNKAEVAIRYDGKFKY DGKATHGPSVKNAVYAHQIE TGLYDGCYISTTTDKEIAKK FATSSGIENGYIYVLNRDLF GQYSIFEYEVEHPENPNEKE VTIRAEDCGCIPEEVIIAKE LIEINLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ASN 4 PHE 5 LEU 6 TYR 7 ARG 8 GLY 9 ILE 10 SER 11 CYS 12 GLN 13 GLN 14 ASP 15 GLU 16 GLN 17 ASN 18 ASN 19 GLY 20 GLN 21 LEU 22 LYS 23 PRO 24 LYS 25 GLY 26 ASN 27 LYS 28 ALA 29 GLU 30 VAL 31 ALA 32 ILE 33 ARG 34 TYR 35 ASP 36 GLY 37 LYS 38 PHE 39 LYS 40 TYR 41 ASP 42 GLY 43 LYS 44 ALA 45 THR 46 HIS 47 GLY 48 PRO 49 SER 50 VAL 51 LYS 52 ASN 53 ALA 54 VAL 55 TYR 56 ALA 57 HIS 58 GLN 59 ILE 60 GLU 61 THR 62 GLY 63 LEU 64 TYR 65 ASP 66 GLY 67 CYS 68 TYR 69 ILE 70 SER 71 THR 72 THR 73 THR 74 ASP 75 LYS 76 GLU 77 ILE 78 ALA 79 LYS 80 LYS 81 PHE 82 ALA 83 THR 84 SER 85 SER 86 GLY 87 ILE 88 GLU 89 ASN 90 GLY 91 TYR 92 ILE 93 TYR 94 VAL 95 LEU 96 ASN 97 ARG 98 ASP 99 LEU 100 PHE 101 GLY 102 GLN 103 TYR 104 SER 105 ILE 106 PHE 107 GLU 108 TYR 109 GLU 110 VAL 111 GLU 112 HIS 113 PRO 114 GLU 115 ASN 116 PRO 117 ASN 118 GLU 119 LYS 120 GLU 121 VAL 122 THR 123 ILE 124 ARG 125 ALA 126 GLU 127 ASP 128 CYS 129 GLY 130 CYS 131 ILE 132 PRO 133 GLU 134 GLU 135 VAL 136 ILE 137 ILE 138 ALA 139 LYS 140 GLU 141 LEU 142 ILE 143 GLU 144 ILE 145 ASN 146 LEU 147 GLU 148 HIS 149 HIS 150 HIS 151 HIS 152 HIS 153 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2KXI "Solution Nmr Structure Of The Apoform Of Nare (Nmb1343)" 100.00 153 100.00 100.00 7.07e-108 EMBL CCI72935 "hypothetical protein BN21_0900 [Neisseria meningitidis alpha704]" 94.77 145 100.00 100.00 3.89e-101 GB AAF41718 "hypothetical protein NMB1343 [Neisseria meningitidis MC58]" 94.77 145 100.00 100.00 3.89e-101 GB ADO31780 "hypothetical protein NMBB_1484A [Neisseria meningitidis alpha710]" 94.77 145 100.00 100.00 3.89e-101 GB ADY97402 "conserved hypothetical protein [Neisseria meningitidis M01-240149]" 94.77 145 100.00 100.00 3.89e-101 GB ADZ03753 "hypothetical protein NMBNZ0533_1330 [Neisseria meningitidis NZ-05/33]" 94.77 145 100.00 100.00 3.89e-101 GB AJC62209 "hypothetical protein N875_00270 [Neisseria meningitidis LNP21362]" 94.77 145 99.31 100.00 1.58e-100 REF NP_274362 "hypothetical protein NMB1343 [Neisseria meningitidis MC58]" 94.77 145 100.00 100.00 3.89e-101 REF WP_002219146 "hypothetical protein [Neisseria meningitidis]" 94.77 145 100.00 100.00 3.89e-101 REF WP_016687434 "hypothetical protein [Neisseria sicca]" 94.77 145 97.93 99.31 6.83e-99 REF WP_029670159 "hypothetical protein [Neisseria gonorrhoeae]" 93.46 144 97.20 99.30 1.75e-96 REF WP_039637683 "hypothetical protein [Neisseria meningitidis]" 94.77 145 99.31 100.00 1.58e-100 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Variant $NMB1343 'Neisseria meningitidis' 487 Bacteria . Neisseria meningitidis MC58 'serogroup B' 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 $NMB1343 'recombinant technology' . Escherichia coli BL21(DE3) pET21b+ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NMB1343 0.3 mM '[U-100% 15N]' 'sodium chloride' 75 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' TSP 0.5 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NMB1343 0.6 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 75 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' TSP 0.5 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NMB1343 0.8 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 75 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' TSP 0.5 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer 'Oxford Instruments' _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_T1_edited_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T1 edited' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T2_edited_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T2 edited' _Sample_label $sample_1 save_ save_2D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.3 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'rereferenced with RCI server' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NMB1343 _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 1 MET HA H 4.43 0.000 1 2 1 1 MET HB2 H 1.91 0.000 2 3 1 1 MET HB3 H 1.76 0.000 2 4 1 1 MET CB C 26.23 0.000 1 5 2 2 GLY H H 8.03 0.006 1 6 2 2 GLY HA2 H 4.05 0.005 2 7 2 2 GLY HA3 H 3.79 0.000 2 8 2 2 GLY CA C 44.06 0.081 1 9 2 2 GLY N N 107.89 0.097 1 10 3 3 ASN H H 8.26 0.009 1 11 3 3 ASN HA H 4.73 0.000 1 12 3 3 ASN HB2 H 2.58 0.000 2 13 3 3 ASN HB3 H 2.43 0.000 2 14 3 3 ASN HD21 H 7.49 0.000 1 15 3 3 ASN HD22 H 6.85 0.000 1 16 3 3 ASN C C 173.82 0.000 1 17 3 3 ASN CA C 51.58 0.028 1 18 3 3 ASN CB C 38.68 0.046 1 19 3 3 ASN N N 119.26 0.020 1 20 3 3 ASN ND2 N 111.43 0.003 1 21 4 4 PHE H H 8.05 0.010 1 22 4 4 PHE HA H 5.75 0.026 1 23 4 4 PHE HB2 H 2.68 0.027 1 24 4 4 PHE HB3 H 2.68 0.027 1 25 4 4 PHE HD1 H 7.12 0.003 3 26 4 4 PHE HD2 H 7.12 0.003 3 27 4 4 PHE HE1 H 7.11 0.000 3 28 4 4 PHE HE2 H 7.11 0.000 3 29 4 4 PHE C C 176.26 0.012 1 30 4 4 PHE CA C 54.30 0.039 1 31 4 4 PHE CB C 41.64 0.038 1 32 4 4 PHE CD1 C 130.59 0.000 3 33 4 4 PHE CD2 C 130.59 0.000 3 34 4 4 PHE CE1 C 128.47 0.000 3 35 4 4 PHE CE2 C 128.47 0.000 3 36 4 4 PHE N N 121.21 0.020 1 37 5 5 LEU H H 8.21 0.015 1 38 5 5 LEU HA H 4.68 0.000 1 39 5 5 LEU HB2 H 1.53 0.019 2 40 5 5 LEU HB3 H 1.38 0.005 2 41 5 5 LEU HD1 H 0.87 0.011 1 42 5 5 LEU HD2 H 0.87 0.011 1 43 5 5 LEU HG H 1.28 0.000 1 44 5 5 LEU C C 174.33 0.000 1 45 5 5 LEU CA C 52.81 0.032 1 46 5 5 LEU CB C 47.42 0.067 1 47 5 5 LEU N N 120.26 0.038 1 48 6 6 TYR H H 9.07 0.006 1 49 6 6 TYR HA H 5.77 0.029 1 50 6 6 TYR HB2 H 2.69 0.006 1 51 6 6 TYR HB3 H 2.69 0.006 1 52 6 6 TYR HD1 H 7.03 0.008 3 53 6 6 TYR HD2 H 7.03 0.008 3 54 6 6 TYR HE1 H 6.80 0.000 3 55 6 6 TYR HE2 H 6.80 0.000 3 56 6 6 TYR C C 175.04 0.007 1 57 6 6 TYR CA C 56.35 0.040 1 58 6 6 TYR CB C 42.12 0.080 1 59 6 6 TYR CD1 C 130.54 0.000 3 60 6 6 TYR CD2 C 130.54 0.000 3 61 6 6 TYR CE1 C 115.45 0.000 3 62 6 6 TYR CE2 C 115.45 0.000 3 63 6 6 TYR N N 117.05 0.028 1 64 7 7 ARG H H 9.31 0.007 1 65 7 7 ARG HA H 5.14 0.019 1 66 7 7 ARG HB2 H 1.59 0.000 1 67 7 7 ARG HB3 H 1.59 0.000 1 68 7 7 ARG HD2 H 3.13 0.003 2 69 7 7 ARG HD3 H 2.90 0.000 2 70 7 7 ARG HG2 H 1.99 0.000 2 71 7 7 ARG HG3 H 1.46 0.000 2 72 7 7 ARG C C 174.85 0.001 1 73 7 7 ARG CA C 54.53 0.056 1 74 7 7 ARG CB C 33.91 0.076 1 75 7 7 ARG CD C 40.18 0.000 1 76 7 7 ARG N N 125.94 0.033 1 77 8 8 GLY H H 9.71 0.007 1 78 8 8 GLY HA2 H 5.70 0.029 2 79 8 8 GLY HA3 H 4.11 0.031 2 80 8 8 GLY C C 171.45 0.010 1 81 8 8 GLY CA C 44.77 0.021 1 82 8 8 GLY N N 117.59 0.025 1 83 9 9 ILE H H 9.46 0.010 1 84 9 9 ILE HA H 4.84 0.014 1 85 9 9 ILE HB H 1.92 0.026 1 86 9 9 ILE HD1 H 0.99 0.005 1 87 9 9 ILE HG12 H 1.82 0.000 2 88 9 9 ILE HG13 H 1.72 0.000 2 89 9 9 ILE HG2 H 1.25 0.008 1 90 9 9 ILE C C 171.39 0.000 1 91 9 9 ILE CA C 59.99 0.063 1 92 9 9 ILE CB C 41.79 0.086 1 93 9 9 ILE CD1 C 11.93 0.108 1 94 9 9 ILE CG2 C 12.94 0.073 1 95 9 9 ILE N N 124.67 0.030 1 96 10 10 SER H H 8.91 0.004 1 97 10 10 SER HA H 5.36 0.020 1 98 10 10 SER HB2 H 4.37 0.029 2 99 10 10 SER HB3 H 4.08 0.029 2 100 10 10 SER C C 175.19 0.038 1 101 10 10 SER CA C 58.78 0.029 1 102 10 10 SER CB C 64.49 0.078 1 103 10 10 SER N N 126.54 0.039 1 104 11 11 CYS H H 9.05 0.019 1 105 11 11 CYS HA H 4.20 0.017 1 106 11 11 CYS HB2 H 3.28 0.021 1 107 11 11 CYS HB3 H 3.28 0.021 1 108 11 11 CYS C C 176.76 0.012 1 109 11 11 CYS CA C 64.01 0.096 1 110 11 11 CYS CB C 26.49 0.056 1 111 11 11 CYS N N 123.37 0.048 1 112 12 12 GLN H H 8.44 0.021 1 113 12 12 GLN HA H 4.27 0.008 1 114 12 12 GLN HB2 H 2.12 0.022 1 115 12 12 GLN HB3 H 2.12 0.022 1 116 12 12 GLN HE21 H 7.83 0.000 1 117 12 12 GLN HE22 H 6.89 0.000 1 118 12 12 GLN HG2 H 2.48 0.018 2 119 12 12 GLN HG3 H 2.35 0.000 2 120 12 12 GLN C C 178.44 0.015 1 121 12 12 GLN CA C 59.35 0.060 1 122 12 12 GLN CB C 28.74 0.021 1 123 12 12 GLN CG C 31.15 0.000 1 124 12 12 GLN N N 118.37 0.021 1 125 12 12 GLN NE2 N 112.55 0.006 1 126 13 13 GLN H H 8.00 0.024 1 127 13 13 GLN HA H 4.15 0.015 1 128 13 13 GLN HB2 H 2.23 0.017 1 129 13 13 GLN HB3 H 2.23 0.017 1 130 13 13 GLN HE21 H 7.58 0.000 1 131 13 13 GLN HE22 H 7.00 0.000 1 132 13 13 GLN HG2 H 2.46 0.000 2 133 13 13 GLN HG3 H 2.34 0.000 2 134 13 13 GLN C C 178.24 0.008 1 135 13 13 GLN CA C 58.73 0.050 1 136 13 13 GLN CB C 28.37 0.072 1 137 13 13 GLN CG C 31.15 0.000 1 138 13 13 GLN N N 120.28 0.023 1 139 13 13 GLN NE2 N 113.05 0.010 1 140 14 14 ASP H H 9.05 0.020 1 141 14 14 ASP HA H 4.57 0.014 1 142 14 14 ASP HB2 H 3.05 0.029 2 143 14 14 ASP HB3 H 2.87 0.005 2 144 14 14 ASP C C 179.17 0.015 1 145 14 14 ASP CA C 58.41 0.095 1 146 14 14 ASP CB C 44.20 0.045 1 147 14 14 ASP N N 122.72 0.023 1 148 15 15 GLU H H 8.56 0.007 1 149 15 15 GLU HA H 4.22 0.020 1 150 15 15 GLU HB2 H 2.29 0.021 2 151 15 15 GLU HB3 H 2.17 0.022 2 152 15 15 GLU HG2 H 2.30 0.000 2 153 15 15 GLU HG3 H 2.52 0.000 2 154 15 15 GLU C C 180.83 0.021 1 155 15 15 GLU CA C 59.46 0.019 1 156 15 15 GLU CB C 29.43 0.022 1 157 15 15 GLU CG C 33.97 0.026 1 158 15 15 GLU N N 120.63 0.052 1 159 16 16 GLN H H 7.60 0.015 1 160 16 16 GLN HA H 4.25 0.019 1 161 16 16 GLN HB2 H 2.27 0.021 1 162 16 16 GLN HB3 H 2.27 0.021 1 163 16 16 GLN HE21 H 7.46 0.000 1 164 16 16 GLN HE22 H 6.83 0.000 1 165 16 16 GLN HG2 H 2.59 0.000 2 166 16 16 GLN HG3 H 2.50 0.000 2 167 16 16 GLN C C 176.53 0.011 1 168 16 16 GLN CA C 58.31 0.040 1 169 16 16 GLN CB C 28.33 0.044 1 170 16 16 GLN CG C 31.38 0.074 1 171 16 16 GLN N N 121.63 0.020 1 172 16 16 GLN NE2 N 111.50 0.010 1 173 17 17 ASN H H 7.51 0.011 1 174 17 17 ASN HA H 4.90 0.021 1 175 17 17 ASN HB2 H 3.48 0.030 2 176 17 17 ASN HB3 H 3.15 0.021 2 177 17 17 ASN HD21 H 7.74 0.000 1 178 17 17 ASN HD22 H 6.91 0.000 1 179 17 17 ASN C C 174.78 0.014 1 180 17 17 ASN CA C 52.46 0.038 1 181 17 17 ASN CB C 39.15 0.024 1 182 17 17 ASN N N 117.91 0.040 1 183 17 17 ASN ND2 N 110.11 0.014 1 184 18 18 ASN H H 8.24 0.013 1 185 18 18 ASN HA H 4.56 0.023 1 186 18 18 ASN HB2 H 3.14 0.036 2 187 18 18 ASN HB3 H 2.75 0.025 2 188 18 18 ASN HD21 H 7.62 0.000 1 189 18 18 ASN HD22 H 7.20 0.000 1 190 18 18 ASN C C 174.99 0.017 1 191 18 18 ASN CA C 54.25 0.031 1 192 18 18 ASN CB C 38.01 0.069 1 193 18 18 ASN N N 118.05 0.059 1 194 18 18 ASN ND2 N 110.34 0.013 1 195 19 19 GLY H H 8.47 0.009 1 196 19 19 GLY HA2 H 3.94 0.000 2 197 19 19 GLY HA3 H 3.80 0.000 2 198 19 19 GLY C C 172.99 0.011 1 199 19 19 GLY CA C 45.94 0.009 1 200 19 19 GLY N N 104.08 0.045 1 201 20 20 GLN H H 7.12 0.013 1 202 20 20 GLN HA H 4.61 0.014 1 203 20 20 GLN HB2 H 1.95 0.009 1 204 20 20 GLN HB3 H 1.95 0.009 1 205 20 20 GLN HE21 H 7.53 0.000 1 206 20 20 GLN HE22 H 6.82 0.000 1 207 20 20 GLN HG2 H 2.29 0.005 1 208 20 20 GLN HG3 H 2.29 0.005 1 209 20 20 GLN C C 175.75 0.013 1 210 20 20 GLN CA C 53.72 0.049 1 211 20 20 GLN CB C 32.52 0.030 1 212 20 20 GLN CG C 31.45 0.020 1 213 20 20 GLN N N 116.31 0.032 1 214 20 20 GLN NE2 N 111.97 0.008 1 215 21 21 LEU H H 9.05 0.012 1 216 21 21 LEU HA H 4.12 0.037 1 217 21 21 LEU HB2 H 1.39 0.009 2 218 21 21 LEU HB3 H 1.00 0.021 2 219 21 21 LEU HD1 H 0.24 0.008 1 220 21 21 LEU HD2 H 0.24 0.008 1 221 21 21 LEU C C 172.78 0.001 1 222 21 21 LEU CA C 53.96 0.102 1 223 21 21 LEU CB C 39.95 0.050 1 224 21 21 LEU CD1 C 22.86 0.023 2 225 21 21 LEU CD2 C 21.49 0.047 2 226 21 21 LEU N N 126.76 0.041 1 227 22 22 LYS H H 7.23 0.019 1 228 22 22 LYS HA H 4.76 0.010 1 229 22 22 LYS HB2 H 1.70 0.004 2 230 22 22 LYS HB3 H 1.59 0.000 2 231 22 22 LYS HD2 H 1.64 0.000 1 232 22 22 LYS HD3 H 1.64 0.000 1 233 22 22 LYS HE2 H 2.96 0.000 1 234 22 22 LYS HE3 H 2.96 0.000 1 235 22 22 LYS HG2 H 1.30 0.000 1 236 22 22 LYS HG3 H 1.30 0.000 1 237 22 22 LYS C C 172.77 0.000 1 238 22 22 LYS CA C 52.97 0.072 1 239 22 22 LYS CB C 34.43 0.014 1 240 22 22 LYS N N 124.40 0.047 1 241 23 23 PRO HA H 4.46 0.007 1 242 23 23 PRO HB2 H 1.94 0.029 1 243 23 23 PRO HB3 H 1.94 0.029 1 244 23 23 PRO HD2 H 3.52 0.000 2 245 23 23 PRO HD3 H 3.63 0.000 2 246 23 23 PRO HG2 H 1.53 0.548 2 247 23 23 PRO HG3 H 1.74 0.000 2 248 23 23 PRO C C 175.25 0.012 1 249 23 23 PRO CA C 62.24 0.099 1 250 23 23 PRO CB C 32.38 0.000 1 251 23 23 PRO CD C 48.02 0.053 1 252 24 24 LYS H H 8.54 0.006 1 253 24 24 LYS HA H 4.28 0.008 1 254 24 24 LYS HB2 H 1.84 0.038 1 255 24 24 LYS HB3 H 1.84 0.038 1 256 24 24 LYS HD2 H 1.74 0.000 1 257 24 24 LYS HD3 H 1.74 0.000 1 258 24 24 LYS HE2 H 3.02 0.007 1 259 24 24 LYS HE3 H 3.02 0.007 1 260 24 24 LYS HG2 H 1.51 0.006 1 261 24 24 LYS HG3 H 1.51 0.006 1 262 24 24 LYS C C 177.19 0.010 1 263 24 24 LYS CA C 57.61 0.075 1 264 24 24 LYS CB C 33.54 0.121 1 265 24 24 LYS N N 121.80 0.036 1 266 25 25 GLY H H 8.47 0.009 1 267 25 25 GLY HA2 H 4.12 0.000 2 268 25 25 GLY HA3 H 3.99 0.000 2 269 25 25 GLY C C 172.92 0.018 1 270 25 25 GLY CA C 44.84 0.018 1 271 25 25 GLY N N 109.17 0.089 1 272 26 26 ASN H H 8.35 0.010 1 273 26 26 ASN HA H 4.67 0.000 1 274 26 26 ASN HB2 H 3.10 0.000 2 275 26 26 ASN HB3 H 2.91 0.000 2 276 26 26 ASN HD21 H 8.15 0.000 1 277 26 26 ASN HD22 H 6.84 0.000 1 278 26 26 ASN C C 175.97 0.012 1 279 26 26 ASN CA C 51.05 0.000 1 280 26 26 ASN CB C 40.33 0.000 1 281 26 26 ASN N N 119.32 0.097 1 282 26 26 ASN ND2 N 113.53 0.001 1 283 27 27 LYS H H 8.18 0.011 1 284 27 27 LYS HA H 3.93 0.024 1 285 27 27 LYS HB2 H 1.86 0.000 1 286 27 27 LYS HB3 H 1.86 0.000 1 287 27 27 LYS HD2 H 1.60 0.000 1 288 27 27 LYS HD3 H 1.60 0.000 1 289 27 27 LYS HE2 H 2.62 0.000 1 290 27 27 LYS HE3 H 2.62 0.000 1 291 27 27 LYS HG2 H 0.99 0.000 1 292 27 27 LYS HG3 H 0.99 0.000 1 293 27 27 LYS C C 175.52 0.000 1 294 27 27 LYS CA C 60.56 0.107 1 295 27 27 LYS CB C 32.78 0.035 1 296 27 27 LYS N N 123.16 0.000 1 297 28 28 ALA H H 8.26 0.000 1 298 28 28 ALA HA H 4.36 0.020 1 299 28 28 ALA HB H 1.36 0.046 1 300 28 28 ALA C C 177.31 0.016 1 301 28 28 ALA CA C 52.64 0.043 1 302 28 28 ALA CB C 19.51 0.043 1 303 28 28 ALA N N 125.40 0.000 1 304 29 29 GLU H H 8.34 0.005 1 305 29 29 GLU HA H 4.31 0.006 1 306 29 29 GLU HB2 H 2.03 0.000 2 307 29 29 GLU HB3 H 1.95 0.000 2 308 29 29 GLU HG2 H 2.24 0.000 1 309 29 29 GLU HG3 H 2.24 0.000 1 310 29 29 GLU C C 176.10 0.020 1 311 29 29 GLU CA C 56.78 0.048 1 312 29 29 GLU CB C 30.44 0.025 1 313 29 29 GLU CG C 33.75 0.012 1 314 29 29 GLU N N 120.66 0.018 1 315 30 30 VAL H H 7.96 0.003 1 316 30 30 VAL HA H 4.15 0.012 1 317 30 30 VAL HB H 2.04 0.009 1 318 30 30 VAL HG1 H 0.88 0.000 1 319 30 30 VAL HG2 H 0.88 0.000 1 320 30 30 VAL C C 175.22 0.024 1 321 30 30 VAL CA C 62.23 0.086 1 322 30 30 VAL CB C 33.07 0.060 1 323 30 30 VAL N N 120.67 0.036 1 324 31 31 ALA H H 8.24 0.004 1 325 31 31 ALA HA H 4.41 0.007 1 326 31 31 ALA HB H 1.33 0.017 1 327 31 31 ALA C C 176.98 0.015 1 328 31 31 ALA CA C 52.49 0.043 1 329 31 31 ALA CB C 19.52 0.028 1 330 31 31 ALA N N 127.55 0.017 1 331 32 32 ILE H H 7.94 0.004 1 332 32 32 ILE HA H 4.11 0.018 1 333 32 32 ILE HB H 1.71 0.006 1 334 32 32 ILE HD1 H 0.67 0.000 1 335 32 32 ILE HG12 H 1.36 0.014 2 336 32 32 ILE HG13 H 1.06 0.000 2 337 32 32 ILE HG2 H 0.72 0.000 1 338 32 32 ILE C C 175.44 0.018 1 339 32 32 ILE CA C 61.13 0.070 1 340 32 32 ILE CB C 39.05 0.052 1 341 32 32 ILE CD1 C 14.71 0.043 1 342 32 32 ILE CG1 C 25.11 0.006 1 343 32 32 ILE CG2 C 14.74 0.023 1 344 32 32 ILE N N 120.66 0.029 1 345 33 33 ARG H H 8.17 0.005 1 346 33 33 ARG HA H 4.36 0.005 1 347 33 33 ARG HB2 H 1.69 0.000 2 348 33 33 ARG HB3 H 1.62 0.000 2 349 33 33 ARG HD2 H 3.07 0.000 1 350 33 33 ARG HD3 H 3.07 0.000 1 351 33 33 ARG HG2 H 1.49 0.003 2 352 33 33 ARG HG3 H 1.41 0.000 2 353 33 33 ARG C C 175.42 0.023 1 354 33 33 ARG CA C 55.64 0.027 1 355 33 33 ARG CB C 31.51 0.060 1 356 33 33 ARG CD C 40.48 0.000 1 357 33 33 ARG CG C 24.38 0.038 1 358 33 33 ARG N N 125.00 0.021 1 359 34 34 TYR H H 8.30 0.007 1 360 34 34 TYR HA H 4.62 0.004 1 361 34 34 TYR HB2 H 2.99 0.014 1 362 34 34 TYR HB3 H 2.99 0.014 1 363 34 34 TYR HD1 H 7.02 0.000 3 364 34 34 TYR HD2 H 7.02 0.000 3 365 34 34 TYR HE1 H 6.92 0.000 3 366 34 34 TYR HE2 H 6.92 0.000 3 367 34 34 TYR C C 174.95 0.021 1 368 34 34 TYR CA C 57.85 0.070 1 369 34 34 TYR CB C 39.05 0.052 1 370 34 34 TYR CD1 C 130.61 0.000 3 371 34 34 TYR CD2 C 130.61 0.000 3 372 34 34 TYR CE1 C 115.45 0.000 3 373 34 34 TYR CE2 C 115.45 0.000 3 374 34 34 TYR N N 122.53 0.080 1 375 35 35 ASP H H 8.23 0.005 1 376 35 35 ASP HA H 4.65 0.025 1 377 35 35 ASP HB2 H 2.66 0.015 1 378 35 35 ASP HB3 H 2.66 0.015 1 379 35 35 ASP C C 176.12 0.015 1 380 35 35 ASP CA C 53.83 0.057 1 381 35 35 ASP CB C 41.66 0.051 1 382 35 35 ASP N N 123.91 0.027 1 383 36 36 GLY H H 7.81 0.008 1 384 36 36 GLY HA2 H 4.02 0.000 2 385 36 36 GLY HA3 H 3.94 0.000 2 386 36 36 GLY C C 173.74 0.016 1 387 36 36 GLY CA C 45.63 0.017 1 388 36 36 GLY N N 109.71 0.023 1 389 37 37 LYS H H 8.13 0.005 1 390 37 37 LYS HA H 4.30 0.015 1 391 37 37 LYS HB2 H 1.62 0.014 1 392 37 37 LYS HB3 H 1.62 0.014 1 393 37 37 LYS HD2 H 1.57 0.000 1 394 37 37 LYS HD3 H 1.57 0.000 1 395 37 37 LYS HE2 H 2.92 0.018 1 396 37 37 LYS HE3 H 2.92 0.018 1 397 37 37 LYS HG2 H 1.19 0.000 1 398 37 37 LYS HG3 H 1.19 0.000 1 399 37 37 LYS C C 175.87 0.000 1 400 37 37 LYS CA C 56.47 0.141 1 401 37 37 LYS CB C 33.21 0.080 1 402 37 37 LYS CE C 39.26 0.000 1 403 37 37 LYS N N 121.12 0.079 1 404 38 38 PHE H H 8.14 0.011 1 405 38 38 PHE HA H 4.68 0.000 1 406 38 38 PHE HB2 H 2.76 0.000 1 407 38 38 PHE HB3 H 2.76 0.000 1 408 38 38 PHE HD1 H 6.96 0.014 3 409 38 38 PHE HD2 H 6.96 0.014 3 410 38 38 PHE HE1 H 7.25 0.004 3 411 38 38 PHE HE2 H 7.25 0.004 3 412 38 38 PHE C C 174.84 0.000 1 413 38 38 PHE CA C 57.47 0.092 1 414 38 38 PHE CB C 39.75 0.080 1 415 38 38 PHE CD1 C 130.30 0.000 3 416 38 38 PHE CD2 C 130.30 0.000 3 417 38 38 PHE CE1 C 129.00 0.000 3 418 38 38 PHE CE2 C 129.00 0.000 3 419 38 38 PHE N N 120.88 0.069 1 420 39 39 LYS H H 8.04 0.010 1 421 39 39 LYS HA H 4.33 0.021 1 422 39 39 LYS HB2 H 1.61 0.003 1 423 39 39 LYS HB3 H 1.61 0.003 1 424 39 39 LYS HD2 H 1.57 0.000 1 425 39 39 LYS HD3 H 1.57 0.000 1 426 39 39 LYS HE2 H 2.90 0.000 1 427 39 39 LYS HE3 H 2.90 0.000 1 428 39 39 LYS HG2 H 1.20 0.000 1 429 39 39 LYS HG3 H 1.20 0.000 1 430 39 39 LYS C C 175.24 0.000 1 431 39 39 LYS CA C 55.94 0.091 1 432 39 39 LYS CB C 33.55 0.070 1 433 39 39 LYS N N 123.67 0.096 1 434 40 40 TYR H H 8.19 0.015 1 435 40 40 TYR HA H 4.61 0.000 1 436 40 40 TYR HB2 H 3.08 0.002 2 437 40 40 TYR HB3 H 2.88 0.000 2 438 40 40 TYR HD1 H 7.05 0.002 3 439 40 40 TYR HD2 H 7.05 0.002 3 440 40 40 TYR HE1 H 6.95 0.006 3 441 40 40 TYR HE2 H 6.95 0.006 3 442 40 40 TYR C C 174.94 0.026 1 443 40 40 TYR CA C 57.80 0.053 1 444 40 40 TYR CB C 38.99 0.031 1 445 40 40 TYR CD1 C 130.65 0.000 3 446 40 40 TYR CD2 C 130.65 0.000 3 447 40 40 TYR CE1 C 115.45 0.000 3 448 40 40 TYR CE2 C 115.45 0.000 3 449 40 40 TYR N N 122.69 0.089 1 450 41 41 ASP H H 8.25 0.004 1 451 41 41 ASP HA H 4.66 0.000 1 452 41 41 ASP HB2 H 2.69 0.000 1 453 41 41 ASP HB3 H 2.69 0.000 1 454 41 41 ASP C C 176.15 0.011 1 455 41 41 ASP CA C 54.00 0.063 1 456 41 41 ASP CB C 41.60 0.063 1 457 41 41 ASP N N 123.05 0.035 1 458 42 42 GLY H H 7.96 0.008 1 459 42 42 GLY HA2 H 3.99 0.000 2 460 42 42 GLY HA3 H 3.92 0.000 2 461 42 42 GLY C C 173.79 0.000 1 462 42 42 GLY CA C 45.69 0.042 1 463 42 42 GLY N N 109.52 0.025 1 464 43 43 LYS H H 8.07 0.018 1 465 43 43 LYS HA H 4.36 0.008 1 466 43 43 LYS HB2 H 1.81 0.001 1 467 43 43 LYS HB3 H 1.81 0.001 1 468 43 43 LYS HD2 H 1.74 0.000 1 469 43 43 LYS HD3 H 1.74 0.000 1 470 43 43 LYS HE2 H 2.95 0.000 1 471 43 43 LYS HE3 H 2.95 0.000 1 472 43 43 LYS HG2 H 1.39 0.000 1 473 43 43 LYS HG3 H 1.39 0.000 1 474 43 43 LYS C C 175.88 0.017 1 475 43 43 LYS CA C 56.60 0.072 1 476 43 43 LYS CB C 33.18 0.034 1 477 43 43 LYS N N 121.14 0.018 1 478 44 44 ALA H H 8.30 0.005 1 479 44 44 ALA HA H 4.42 0.000 1 480 44 44 ALA HB H 1.38 0.000 1 481 44 44 ALA C C 177.34 0.033 1 482 44 44 ALA CA C 52.58 0.089 1 483 44 44 ALA CB C 19.53 0.023 1 484 44 44 ALA N N 125.46 0.036 1 485 45 45 THR H H 8.08 0.011 1 486 45 45 THR HA H 5.16 0.009 1 487 45 45 THR HB H 3.87 0.007 1 488 45 45 THR HG2 H 1.05 0.010 1 489 45 45 THR C C 173.77 0.000 1 490 45 45 THR CA C 61.82 0.075 1 491 45 45 THR CB C 69.86 0.094 1 492 45 45 THR CG2 C 20.28 0.011 1 493 45 45 THR N N 113.62 0.040 1 494 46 46 HIS H H 8.19 0.007 1 495 46 46 HIS HA H 4.79 0.003 1 496 46 46 HIS HB2 H 3.11 0.018 1 497 46 46 HIS HB3 H 3.11 0.018 1 498 46 46 HIS HD2 H 7.08 0.000 1 499 46 46 HIS C C 174.94 0.002 1 500 46 46 HIS CA C 56.02 0.019 1 501 46 46 HIS CB C 31.70 0.013 1 502 46 46 HIS CD2 C 117.40 0.033 1 503 46 46 HIS N N 122.16 0.105 1 504 47 47 GLY H H 8.22 0.008 1 505 47 47 GLY HA2 H 4.13 0.000 2 506 47 47 GLY HA3 H 3.99 0.000 2 507 47 47 GLY C C 171.41 0.000 1 508 47 47 GLY CA C 44.81 0.094 1 509 47 47 GLY N N 110.86 0.032 1 510 48 48 PRO HA H 4.42 0.000 1 511 48 48 PRO HB2 H 1.89 0.000 1 512 48 48 PRO HB3 H 1.89 0.000 1 513 48 48 PRO HD2 H 3.45 0.001 1 514 48 48 PRO HD3 H 3.45 0.001 1 515 48 48 PRO HG2 H 2.03 0.009 2 516 48 48 PRO HG3 H 1.74 0.000 2 517 48 48 PRO CD C 47.96 0.019 1 518 49 49 SER HA H 4.51 0.008 1 519 49 49 SER HB2 H 3.85 0.004 1 520 49 49 SER HB3 H 3.85 0.004 1 521 49 49 SER C C 174.35 0.000 1 522 49 49 SER CA C 58.42 0.047 1 523 49 49 SER CB C 63.93 0.033 1 524 50 50 VAL H H 8.03 0.003 1 525 50 50 VAL HA H 4.20 0.009 1 526 50 50 VAL HB H 2.04 0.000 1 527 50 50 VAL HG1 H 0.88 0.001 1 528 50 50 VAL HG2 H 0.88 0.001 1 529 50 50 VAL C C 175.78 0.039 1 530 50 50 VAL CA C 62.39 0.062 1 531 50 50 VAL CB C 32.80 0.116 1 532 50 50 VAL N N 122.39 0.014 1 533 51 51 LYS H H 8.30 0.007 1 534 51 51 LYS HA H 4.28 0.002 1 535 51 51 LYS HB2 H 1.61 0.000 1 536 51 51 LYS HB3 H 1.61 0.000 1 537 51 51 LYS HD2 H 1.56 0.000 1 538 51 51 LYS HD3 H 1.56 0.000 1 539 51 51 LYS HE2 H 2.90 0.000 1 540 51 51 LYS HE3 H 2.90 0.000 1 541 51 51 LYS HG2 H 1.19 0.000 1 542 51 51 LYS HG3 H 1.19 0.000 1 543 51 51 LYS C C 174.65 0.056 1 544 51 51 LYS CA C 56.68 0.061 1 545 51 51 LYS CB C 33.09 0.101 1 546 51 51 LYS N N 124.64 0.052 1 547 52 52 ASN H H 8.15 0.012 1 548 52 52 ASN HA H 4.65 0.016 1 549 52 52 ASN HB2 H 2.77 0.012 1 550 52 52 ASN HB3 H 2.77 0.012 1 551 52 52 ASN HD21 H 7.63 0.000 1 552 52 52 ASN HD22 H 6.93 0.000 1 553 52 52 ASN C C 174.48 0.000 1 554 52 52 ASN CA C 53.33 0.116 1 555 52 52 ASN CB C 38.97 0.000 1 556 52 52 ASN N N 120.61 0.123 1 557 52 52 ASN ND2 N 112.47 0.008 1 558 53 53 ALA H H 8.15 0.007 1 559 53 53 ALA HA H 4.35 0.007 1 560 53 53 ALA HB H 1.36 0.025 1 561 53 53 ALA C C 177.24 0.056 1 562 53 53 ALA CA C 53.03 0.089 1 563 53 53 ALA CB C 19.48 0.070 1 564 53 53 ALA N N 124.93 0.051 1 565 54 54 VAL H H 7.95 0.004 1 566 54 54 VAL HA H 3.99 0.002 1 567 54 54 VAL HB H 1.91 0.002 1 568 54 54 VAL HG1 H 0.80 0.006 2 569 54 54 VAL HG2 H 0.73 0.002 2 570 54 54 VAL C C 175.76 0.015 1 571 54 54 VAL CA C 62.95 0.067 1 572 54 54 VAL CB C 32.76 0.069 1 573 54 54 VAL CG1 C 18.11 0.002 2 574 54 54 VAL CG2 C 18.35 0.034 2 575 54 54 VAL N N 119.41 0.013 1 576 55 55 TYR H H 8.01 0.006 1 577 55 55 TYR HA H 4.62 0.006 1 578 55 55 TYR HB2 H 2.85 0.013 1 579 55 55 TYR HB3 H 2.85 0.013 1 580 55 55 TYR HD1 H 7.03 0.014 3 581 55 55 TYR HD2 H 7.03 0.014 3 582 55 55 TYR HE1 H 6.68 0.008 3 583 55 55 TYR HE2 H 6.68 0.008 3 584 55 55 TYR C C 175.52 0.000 1 585 55 55 TYR CA C 57.72 0.015 1 586 55 55 TYR CB C 39.10 0.083 1 587 55 55 TYR CD1 C 130.58 0.000 3 588 55 55 TYR CD2 C 130.58 0.000 3 589 55 55 TYR CE1 C 115.45 0.000 3 590 55 55 TYR CE2 C 115.45 0.000 3 591 55 55 TYR N N 123.14 0.028 1 592 56 56 ALA H H 8.17 0.011 1 593 56 56 ALA HA H 4.25 0.018 1 594 56 56 ALA HB H 1.33 0.021 1 595 56 56 ALA C C 177.19 0.014 1 596 56 56 ALA CA C 53.19 0.100 1 597 56 56 ALA CB C 19.32 0.002 1 598 56 56 ALA N N 124.94 0.097 1 599 57 57 HIS H H 8.01 0.009 1 600 57 57 HIS HA H 4.62 0.005 1 601 57 57 HIS HB2 H 3.07 0.011 1 602 57 57 HIS HB3 H 3.07 0.011 1 603 57 57 HIS HD2 H 6.88 0.042 1 604 57 57 HIS C C 175.39 0.015 1 605 57 57 HIS CA C 56.83 0.102 1 606 57 57 HIS CB C 30.92 0.069 1 607 57 57 HIS CD2 C 117.42 0.000 1 608 57 57 HIS N N 118.16 0.031 1 609 58 58 GLN H H 8.13 0.008 1 610 58 58 GLN HA H 4.25 0.006 1 611 58 58 GLN HB2 H 1.98 0.006 1 612 58 58 GLN HB3 H 1.98 0.006 1 613 58 58 GLN HE21 H 7.58 0.000 1 614 58 58 GLN HE22 H 6.89 0.000 1 615 58 58 GLN HG2 H 2.21 0.011 2 616 58 58 GLN HG3 H 2.29 0.000 2 617 58 58 GLN C C 175.84 0.000 1 618 58 58 GLN CA C 56.42 0.008 1 619 58 58 GLN CB C 29.42 0.097 1 620 58 58 GLN CG C 31.18 0.011 1 621 58 58 GLN N N 121.45 0.011 1 622 58 58 GLN NE2 N 111.81 0.006 1 623 59 59 ILE H H 8.04 0.006 1 624 59 59 ILE HA H 4.02 0.010 1 625 59 59 ILE HB H 1.72 0.006 1 626 59 59 ILE HD1 H 0.63 0.001 1 627 59 59 ILE HG12 H 0.93 0.006 2 628 59 59 ILE HG13 H 1.28 0.003 2 629 59 59 ILE HG2 H 0.72 0.005 1 630 59 59 ILE C C 176.28 0.021 1 631 59 59 ILE CA C 61.84 0.042 1 632 59 59 ILE CB C 38.67 0.058 1 633 59 59 ILE CD1 C 10.23 0.081 1 634 59 59 ILE CG1 C 24.69 0.045 1 635 59 59 ILE CG2 C 14.75 0.000 1 636 59 59 ILE N N 121.75 0.047 1 637 60 60 GLU H H 8.39 0.003 1 638 60 60 GLU HA H 4.36 0.024 1 639 60 60 GLU HB2 H 2.02 0.003 2 640 60 60 GLU HB3 H 1.95 0.000 2 641 60 60 GLU HG2 H 2.29 0.000 1 642 60 60 GLU HG3 H 2.29 0.000 1 643 60 60 GLU C C 176.48 0.000 1 644 60 60 GLU CA C 57.04 0.046 1 645 60 60 GLU CB C 30.30 0.040 1 646 60 60 GLU CG C 33.70 0.000 1 647 60 60 GLU N N 123.99 0.033 1 648 61 61 THR H H 8.04 0.006 1 649 61 61 THR HA H 4.33 0.003 1 650 61 61 THR HB H 4.14 0.004 1 651 61 61 THR HG2 H 1.11 0.000 1 652 61 61 THR C C 174.99 0.004 1 653 61 61 THR CA C 62.51 0.037 1 654 61 61 THR CB C 70.08 0.094 1 655 61 61 THR CG2 C 18.85 0.049 1 656 61 61 THR N N 113.97 0.029 1 657 62 62 GLY H H 8.32 0.005 1 658 62 62 GLY HA2 H 4.01 0.000 1 659 62 62 GLY HA3 H 4.01 0.000 1 660 62 62 GLY C C 174.09 0.012 1 661 62 62 GLY CA C 45.62 0.034 1 662 62 62 GLY N N 111.58 0.045 1 663 63 63 LEU H H 7.81 0.006 1 664 63 63 LEU HA H 4.19 0.004 1 665 63 63 LEU HB2 H 1.32 0.011 2 666 63 63 LEU HB3 H 1.16 0.008 2 667 63 63 LEU HD1 H 0.69 0.013 2 668 63 63 LEU HD2 H 0.62 0.012 2 669 63 63 LEU HG H 1.25 0.005 1 670 63 63 LEU C C 176.79 0.009 1 671 63 63 LEU CA C 55.73 0.040 1 672 63 63 LEU CB C 42.52 0.084 1 673 63 63 LEU CD1 C 21.98 0.046 2 674 63 63 LEU CD2 C 20.93 0.025 2 675 63 63 LEU CG C 24.02 0.045 1 676 63 63 LEU N N 122.07 0.024 1 677 64 64 TYR H H 8.10 0.010 1 678 64 64 TYR HA H 4.57 0.000 1 679 64 64 TYR HB2 H 2.74 0.002 1 680 64 64 TYR HB3 H 2.74 0.002 1 681 64 64 TYR HD1 H 6.96 0.014 3 682 64 64 TYR HD2 H 6.96 0.014 3 683 64 64 TYR HE1 H 6.56 0.005 3 684 64 64 TYR HE2 H 6.56 0.005 3 685 64 64 TYR C C 175.30 0.026 1 686 64 64 TYR CA C 57.56 0.101 1 687 64 64 TYR CB C 38.71 0.144 1 688 64 64 TYR CD1 C 130.63 0.000 3 689 64 64 TYR CD2 C 130.63 0.000 3 690 64 64 TYR CE1 C 115.38 0.000 3 691 64 64 TYR CE2 C 115.38 0.000 3 692 64 64 TYR N N 118.88 0.069 1 693 65 65 ASP H H 7.95 0.007 1 694 65 65 ASP HA H 4.64 0.000 1 695 65 65 ASP HB2 H 2.77 0.000 1 696 65 65 ASP HB3 H 2.77 0.000 1 697 65 65 ASP C C 176.62 0.029 1 698 65 65 ASP CA C 55.85 0.020 1 699 65 65 ASP CB C 41.26 0.054 1 700 65 65 ASP N N 121.52 0.053 1 701 66 66 GLY H H 8.37 0.009 1 702 66 66 GLY HA2 H 4.08 0.000 1 703 66 66 GLY HA3 H 4.08 0.000 1 704 66 66 GLY C C 173.92 0.032 1 705 66 66 GLY CA C 45.71 0.057 1 706 66 66 GLY N N 109.19 0.057 1 707 67 67 CYS H H 8.13 0.010 1 708 67 67 CYS HA H 4.62 0.024 1 709 67 67 CYS HB2 H 2.75 0.000 1 710 67 67 CYS HB3 H 2.75 0.000 1 711 67 67 CYS C C 173.00 0.002 1 712 67 67 CYS CA C 57.30 0.020 1 713 67 67 CYS CB C 46.15 0.115 1 714 67 67 CYS N N 116.90 0.031 1 715 68 68 TYR H H 7.65 0.013 1 716 68 68 TYR HA H 5.09 0.025 1 717 68 68 TYR HB2 H 2.78 0.044 1 718 68 68 TYR HB3 H 2.78 0.044 1 719 68 68 TYR HD1 H 6.91 0.005 3 720 68 68 TYR HD2 H 6.91 0.005 3 721 68 68 TYR HE1 H 6.61 0.003 3 722 68 68 TYR HE2 H 6.61 0.003 3 723 68 68 TYR C C 175.91 0.014 1 724 68 68 TYR CA C 57.73 0.053 1 725 68 68 TYR CB C 40.76 0.053 1 726 68 68 TYR CD1 C 130.58 0.000 3 727 68 68 TYR CD2 C 130.58 0.000 3 728 68 68 TYR CE1 C 115.38 0.000 3 729 68 68 TYR CE2 C 115.38 0.000 3 730 68 68 TYR N N 116.88 0.034 1 731 69 69 ILE H H 9.35 0.004 1 732 69 69 ILE HA H 4.38 0.027 1 733 69 69 ILE HB H 1.49 0.006 1 734 69 69 ILE HD1 H 0.44 0.007 1 735 69 69 ILE HG12 H 1.39 0.002 2 736 69 69 ILE HG13 H 0.74 0.006 2 737 69 69 ILE HG2 H 0.67 0.005 1 738 69 69 ILE C C 174.48 0.018 1 739 69 69 ILE CA C 60.15 0.066 1 740 69 69 ILE CB C 42.01 0.057 1 741 69 69 ILE CD1 C 11.25 0.044 1 742 69 69 ILE CG1 C 24.54 0.066 1 743 69 69 ILE CG2 C 14.80 0.016 1 744 69 69 ILE N N 120.80 0.027 1 745 70 70 SER H H 8.59 0.004 1 746 70 70 SER HA H 4.65 0.035 1 747 70 70 SER HB2 H 3.79 0.001 1 748 70 70 SER HB3 H 3.79 0.001 1 749 70 70 SER C C 173.56 0.000 1 750 70 70 SER CA C 59.41 0.116 1 751 70 70 SER CB C 63.56 0.065 1 752 70 70 SER N N 122.50 0.031 1 753 71 71 THR H H 8.16 0.013 1 754 71 71 THR HA H 5.23 0.035 1 755 71 71 THR HB H 4.07 0.026 1 756 71 71 THR HG2 H 1.00 0.009 1 757 71 71 THR C C 172.78 0.012 1 758 71 71 THR CA C 60.67 0.037 1 759 71 71 THR CB C 72.00 0.118 1 760 71 71 THR CG2 C 19.62 0.081 1 761 71 71 THR N N 118.76 0.044 1 762 72 72 THR H H 9.15 0.011 1 763 72 72 THR HA H 5.88 0.019 1 764 72 72 THR HB H 4.54 0.013 1 765 72 72 THR HG2 H 1.38 0.012 1 766 72 72 THR C C 173.08 0.012 1 767 72 72 THR CA C 58.66 0.033 1 768 72 72 THR CB C 70.44 0.071 1 769 72 72 THR CG2 C 17.07 0.049 1 770 72 72 THR N N 113.98 0.024 1 771 73 73 THR H H 8.25 0.010 1 772 73 73 THR HA H 4.90 0.007 1 773 73 73 THR HB H 4.61 0.002 1 774 73 73 THR HG2 H 0.99 0.007 1 775 73 73 THR C C 174.17 0.015 1 776 73 73 THR CA C 63.33 0.028 1 777 73 73 THR CB C 69.98 0.014 1 778 73 73 THR CG2 C 19.61 0.000 1 779 73 73 THR N N 116.94 0.054 1 780 74 74 ASP H H 8.49 0.006 1 781 74 74 ASP HA H 4.98 0.027 1 782 74 74 ASP HB2 H 3.01 0.001 2 783 74 74 ASP HB3 H 2.37 0.002 2 784 74 74 ASP C C 175.16 0.015 1 785 74 74 ASP CA C 52.75 0.009 1 786 74 74 ASP CB C 43.38 0.058 1 787 74 74 ASP N N 124.59 0.031 1 788 75 75 LYS H H 8.87 0.004 1 789 75 75 LYS HA H 3.03 0.021 1 790 75 75 LYS HB2 H 1.41 0.025 2 791 75 75 LYS HB3 H 0.71 0.025 2 792 75 75 LYS HD2 H 1.26 0.000 1 793 75 75 LYS HD3 H 1.26 0.000 1 794 75 75 LYS HE2 H 2.93 0.024 1 795 75 75 LYS HE3 H 2.93 0.024 1 796 75 75 LYS HG2 H 1.15 0.000 1 797 75 75 LYS HG3 H 1.15 0.000 1 798 75 75 LYS C C 177.53 0.015 1 799 75 75 LYS CA C 59.97 0.046 1 800 75 75 LYS CB C 33.00 0.029 1 801 75 75 LYS N N 129.85 0.027 1 802 76 76 GLU H H 8.25 0.011 1 803 76 76 GLU HA H 4.01 0.014 1 804 76 76 GLU HB2 H 2.17 0.006 2 805 76 76 GLU HB3 H 2.02 0.019 2 806 76 76 GLU HG2 H 2.30 0.011 1 807 76 76 GLU HG3 H 2.30 0.011 1 808 76 76 GLU C C 180.09 0.019 1 809 76 76 GLU CA C 58.72 0.050 1 810 76 76 GLU CB C 28.83 0.040 1 811 76 76 GLU CG C 33.22 0.000 1 812 76 76 GLU N N 117.28 0.060 1 813 77 77 ILE H H 7.52 0.013 1 814 77 77 ILE HA H 3.68 0.018 1 815 77 77 ILE HB H 2.09 0.022 1 816 77 77 ILE HD1 H 0.78 0.000 1 817 77 77 ILE HG12 H 1.51 0.006 2 818 77 77 ILE HG13 H 0.97 0.004 2 819 77 77 ILE HG2 H 0.78 0.000 1 820 77 77 ILE C C 177.80 0.021 1 821 77 77 ILE CA C 64.53 0.103 1 822 77 77 ILE CB C 37.03 0.108 1 823 77 77 ILE CG1 C 25.95 0.013 1 824 77 77 ILE N N 123.77 0.032 1 825 78 78 ALA H H 7.59 0.010 1 826 78 78 ALA HA H 4.41 0.002 1 827 78 78 ALA HB H 1.43 0.010 1 828 78 78 ALA C C 178.94 0.024 1 829 78 78 ALA CA C 55.40 0.096 1 830 78 78 ALA CB C 18.76 0.026 1 831 78 78 ALA N N 122.72 0.015 1 832 79 79 LYS H H 8.34 0.009 1 833 79 79 LYS HA H 3.74 0.014 1 834 79 79 LYS HB2 H 1.93 0.000 2 835 79 79 LYS HB3 H 1.84 0.047 2 836 79 79 LYS HD2 H 1.62 0.000 1 837 79 79 LYS HD3 H 1.62 0.000 1 838 79 79 LYS HE2 H 2.80 0.001 2 839 79 79 LYS HE3 H 2.69 0.006 2 840 79 79 LYS HG2 H 1.40 0.000 2 841 79 79 LYS HG3 H 1.28 0.001 2 842 79 79 LYS C C 177.90 0.018 1 843 79 79 LYS CA C 60.41 0.081 1 844 79 79 LYS CB C 32.79 0.029 1 845 79 79 LYS CE C 38.71 0.035 1 846 79 79 LYS N N 119.55 0.015 1 847 80 80 LYS H H 7.70 0.012 1 848 80 80 LYS HA H 3.93 0.004 1 849 80 80 LYS HB2 H 1.97 0.008 2 850 80 80 LYS HB3 H 1.86 0.000 2 851 80 80 LYS HD2 H 1.54 0.000 2 852 80 80 LYS HD3 H 1.49 0.000 2 853 80 80 LYS HE2 H 2.79 0.005 1 854 80 80 LYS HE3 H 2.79 0.005 1 855 80 80 LYS HG2 H 1.17 0.005 1 856 80 80 LYS HG3 H 1.17 0.005 1 857 80 80 LYS C C 178.62 0.017 1 858 80 80 LYS CA C 60.42 0.044 1 859 80 80 LYS CB C 31.97 0.068 1 860 80 80 LYS CG C 22.35 0.000 1 861 80 80 LYS N N 122.81 0.017 1 862 81 81 PHE H H 8.10 0.005 1 863 81 81 PHE HA H 4.54 0.017 1 864 81 81 PHE HB2 H 3.29 0.018 2 865 81 81 PHE HB3 H 3.25 0.000 2 866 81 81 PHE HD1 H 7.38 0.024 3 867 81 81 PHE HD2 H 7.38 0.024 3 868 81 81 PHE HE1 H 7.40 0.000 3 869 81 81 PHE HE2 H 7.40 0.000 3 870 81 81 PHE C C 178.61 0.012 1 871 81 81 PHE CA C 60.66 0.028 1 872 81 81 PHE CB C 38.99 0.064 1 873 81 81 PHE CD1 C 130.20 0.000 3 874 81 81 PHE CD2 C 130.20 0.000 3 875 81 81 PHE CE1 C 128.75 0.000 3 876 81 81 PHE CE2 C 128.75 0.000 3 877 81 81 PHE N N 119.12 0.021 1 878 82 82 ALA H H 8.93 0.004 1 879 82 82 ALA HA H 3.82 0.017 1 880 82 82 ALA HB H 1.40 0.019 1 881 82 82 ALA C C 175.67 0.019 1 882 82 82 ALA CA C 54.80 0.028 1 883 82 82 ALA CB C 19.99 0.027 1 884 82 82 ALA N N 122.43 0.027 1 885 83 83 THR H H 7.19 0.012 1 886 83 83 THR HA H 5.07 0.025 1 887 83 83 THR HB H 4.77 0.007 1 888 83 83 THR HG2 H 1.19 0.011 1 889 83 83 THR C C 176.20 0.022 1 890 83 83 THR CA C 59.10 0.033 1 891 83 83 THR CB C 73.08 0.044 1 892 83 83 THR CG2 C 18.09 0.019 1 893 83 83 THR N N 98.24 0.018 1 894 84 84 SER H H 7.87 0.012 1 895 84 84 SER HA H 4.14 0.038 1 896 84 84 SER HB2 H 4.29 0.014 2 897 84 84 SER HB3 H 3.91 0.027 2 898 84 84 SER C C 174.69 0.000 1 899 84 84 SER CA C 58.57 0.112 1 900 84 84 SER CB C 61.14 0.025 1 901 84 84 SER N N 118.64 0.036 1 902 85 85 SER H H 9.22 0.004 1 903 85 85 SER HA H 4.16 0.001 1 904 85 85 SER HB2 H 4.27 0.000 2 905 85 85 SER HB3 H 3.91 0.000 2 906 85 85 SER C C 174.86 0.000 1 907 85 85 SER CA C 58.62 0.058 1 908 85 85 SER CB C 61.47 0.062 1 909 85 85 SER N N 110.18 0.034 1 910 86 86 GLY H H 8.17 0.006 1 911 86 86 GLY HA2 H 4.22 0.027 2 912 86 86 GLY HA3 H 3.54 0.015 2 913 86 86 GLY C C 173.93 0.014 1 914 86 86 GLY CA C 45.93 0.032 1 915 86 86 GLY N N 106.44 0.042 1 916 87 87 ILE H H 8.01 0.017 1 917 87 87 ILE HA H 4.57 0.005 1 918 87 87 ILE HB H 2.02 0.011 1 919 87 87 ILE HD1 H 0.84 0.008 1 920 87 87 ILE HG12 H 1.45 0.005 2 921 87 87 ILE HG13 H 1.26 0.008 2 922 87 87 ILE HG2 H 0.84 0.003 1 923 87 87 ILE C C 175.01 0.012 1 924 87 87 ILE CA C 61.25 0.056 1 925 87 87 ILE CB C 40.08 0.070 1 926 87 87 ILE CD1 C 10.58 0.135 1 927 87 87 ILE CG1 C 23.82 0.032 1 928 87 87 ILE CG2 C 14.63 0.000 1 929 87 87 ILE N N 115.02 0.035 1 930 88 88 GLU H H 8.42 0.024 1 931 88 88 GLU HA H 4.83 0.022 1 932 88 88 GLU HB2 H 1.97 0.000 1 933 88 88 GLU HB3 H 1.97 0.000 1 934 88 88 GLU HG2 H 2.15 0.000 1 935 88 88 GLU HG3 H 2.15 0.000 1 936 88 88 GLU C C 171.65 0.008 1 937 88 88 GLU CA C 54.07 0.051 1 938 88 88 GLU CB C 33.44 0.017 1 939 88 88 GLU N N 121.78 0.007 1 940 89 89 ASN H H 8.36 0.004 1 941 89 89 ASN HA H 4.93 0.013 1 942 89 89 ASN HB2 H 2.73 0.000 1 943 89 89 ASN HB3 H 2.73 0.000 1 944 89 89 ASN HD21 H 7.58 0.000 1 945 89 89 ASN HD22 H 6.96 0.000 1 946 89 89 ASN C C 176.26 0.016 1 947 89 89 ASN CA C 52.72 0.024 1 948 89 89 ASN CB C 39.00 0.070 1 949 89 89 ASN N N 117.61 0.024 1 950 89 89 ASN ND2 N 112.52 0.034 1 951 90 90 GLY H H 8.34 0.008 1 952 90 90 GLY HA2 H 4.88 0.028 2 953 90 90 GLY HA3 H 4.10 0.019 2 954 90 90 GLY C C 169.64 0.000 1 955 90 90 GLY CA C 45.83 0.036 1 956 90 90 GLY N N 109.07 0.051 1 957 91 91 TYR H H 9.52 0.008 1 958 91 91 TYR HA H 5.86 0.020 1 959 91 91 TYR HB2 H 2.45 0.001 2 960 91 91 TYR HB3 H 2.35 0.014 2 961 91 91 TYR HD1 H 6.81 0.012 3 962 91 91 TYR HD2 H 6.81 0.012 3 963 91 91 TYR HE1 H 6.70 0.012 3 964 91 91 TYR HE2 H 6.70 0.012 3 965 91 91 TYR C C 175.39 0.021 1 966 91 91 TYR CA C 56.01 0.054 1 967 91 91 TYR CB C 43.49 0.042 1 968 91 91 TYR CD1 C 130.62 0.000 3 969 91 91 TYR CD2 C 130.62 0.000 3 970 91 91 TYR CE1 C 115.47 0.000 3 971 91 91 TYR CE2 C 115.47 0.000 3 972 91 91 TYR N N 116.16 0.042 1 973 92 92 ILE H H 9.14 0.021 1 974 92 92 ILE HA H 4.88 0.015 1 975 92 92 ILE HB H 1.73 0.027 1 976 92 92 ILE HD1 H 0.80 0.000 1 977 92 92 ILE HG12 H 1.55 0.001 2 978 92 92 ILE HG13 H 0.86 0.001 2 979 92 92 ILE HG2 H 0.70 0.046 1 980 92 92 ILE C C 176.08 0.005 1 981 92 92 ILE CA C 60.33 0.071 1 982 92 92 ILE CB C 41.13 0.064 1 983 92 92 ILE CD1 C 9.99 0.043 1 984 92 92 ILE CG1 C 22.15 0.000 1 985 92 92 ILE CG2 C 11.30 0.058 1 986 92 92 ILE N N 117.70 0.025 1 987 93 93 TYR H H 9.38 0.009 1 988 93 93 TYR HA H 5.00 0.015 1 989 93 93 TYR HB2 H 3.17 0.021 2 990 93 93 TYR HB3 H 2.62 0.020 2 991 93 93 TYR HD1 H 7.05 0.005 3 992 93 93 TYR HD2 H 7.05 0.005 3 993 93 93 TYR HE1 H 6.75 0.000 3 994 93 93 TYR HE2 H 6.75 0.000 3 995 93 93 TYR C C 174.88 0.012 1 996 93 93 TYR CA C 58.41 0.038 1 997 93 93 TYR CB C 40.54 0.066 1 998 93 93 TYR CD1 C 130.59 0.000 3 999 93 93 TYR CD2 C 130.59 0.000 3 1000 93 93 TYR CE1 C 115.44 0.000 3 1001 93 93 TYR CE2 C 115.44 0.000 3 1002 93 93 TYR N N 127.21 0.034 1 1003 94 94 VAL H H 9.07 0.006 1 1004 94 94 VAL HA H 4.52 0.025 1 1005 94 94 VAL HB H 1.96 0.032 1 1006 94 94 VAL HG1 H 0.97 0.008 2 1007 94 94 VAL HG2 H 0.49 0.008 2 1008 94 94 VAL C C 174.59 0.010 1 1009 94 94 VAL CA C 61.94 0.121 1 1010 94 94 VAL CB C 32.47 0.012 1 1011 94 94 VAL CG1 C 16.82 0.006 2 1012 94 94 VAL CG2 C 18.00 0.050 2 1013 94 94 VAL N N 125.53 0.037 1 1014 95 95 LEU H H 9.48 0.014 1 1015 95 95 LEU HA H 5.37 0.016 1 1016 95 95 LEU HB2 H 1.73 0.025 2 1017 95 95 LEU HB3 H 1.39 0.019 2 1018 95 95 LEU HD1 H 0.75 0.000 2 1019 95 95 LEU HD2 H 0.71 0.000 2 1020 95 95 LEU HG H 1.60 0.002 1 1021 95 95 LEU C C 175.52 0.016 1 1022 95 95 LEU CA C 53.46 0.045 1 1023 95 95 LEU CB C 44.55 0.045 1 1024 95 95 LEU CD1 C 23.24 0.000 2 1025 95 95 LEU CD2 C 23.14 0.000 2 1026 95 95 LEU CG C 25.53 0.000 1 1027 95 95 LEU N N 127.56 0.043 1 1028 96 96 ASN H H 9.08 0.005 1 1029 96 96 ASN HA H 4.87 0.003 1 1030 96 96 ASN HB2 H 3.21 0.022 2 1031 96 96 ASN HB3 H 2.55 0.021 2 1032 96 96 ASN HD21 H 7.94 0.000 1 1033 96 96 ASN HD22 H 7.48 0.000 1 1034 96 96 ASN C C 173.95 0.010 1 1035 96 96 ASN CA C 51.49 0.030 1 1036 96 96 ASN CB C 37.37 0.045 1 1037 96 96 ASN N N 118.65 0.050 1 1038 96 96 ASN ND2 N 110.66 0.001 1 1039 97 97 ARG H H 7.98 0.009 1 1040 97 97 ARG HA H 1.95 0.011 1 1041 97 97 ARG HB2 H 1.31 0.033 2 1042 97 97 ARG HB3 H 0.84 0.020 2 1043 97 97 ARG HD2 H 2.89 0.010 2 1044 97 97 ARG HD3 H 2.44 0.014 2 1045 97 97 ARG HG2 H 1.00 0.008 1 1046 97 97 ARG HG3 H 1.00 0.008 1 1047 97 97 ARG C C 177.53 0.032 1 1048 97 97 ARG CA C 57.27 0.066 1 1049 97 97 ARG CB C 32.06 0.043 1 1050 97 97 ARG CD C 41.73 0.044 1 1051 97 97 ARG N N 126.56 0.014 1 1052 98 98 ASP H H 7.78 0.013 1 1053 98 98 ASP HA H 4.51 0.026 1 1054 98 98 ASP HB2 H 2.77 0.000 1 1055 98 98 ASP HB3 H 2.77 0.000 1 1056 98 98 ASP C C 177.20 0.019 1 1057 98 98 ASP CA C 56.58 0.120 1 1058 98 98 ASP CB C 40.45 0.036 1 1059 98 98 ASP N N 116.75 0.027 1 1060 99 99 LEU H H 7.31 0.013 1 1061 99 99 LEU HA H 4.72 0.018 1 1062 99 99 LEU HB2 H 2.03 0.024 2 1063 99 99 LEU HB3 H 1.87 0.016 2 1064 99 99 LEU HD1 H 1.06 0.009 2 1065 99 99 LEU HD2 H 0.93 0.014 2 1066 99 99 LEU HG H 1.59 0.009 1 1067 99 99 LEU C C 176.85 0.018 1 1068 99 99 LEU CA C 54.24 0.073 1 1069 99 99 LEU CB C 44.05 0.054 1 1070 99 99 LEU CD1 C 23.73 0.000 2 1071 99 99 LEU CD2 C 19.68 0.024 2 1072 99 99 LEU N N 117.71 0.021 1 1073 100 100 PHE H H 7.54 0.020 1 1074 100 100 PHE HA H 4.48 0.021 1 1075 100 100 PHE HB2 H 3.46 0.012 1 1076 100 100 PHE HB3 H 3.46 0.012 1 1077 100 100 PHE HD1 H 7.09 0.006 3 1078 100 100 PHE HD2 H 7.09 0.006 3 1079 100 100 PHE HE1 H 7.11 0.000 3 1080 100 100 PHE HE2 H 7.11 0.000 3 1081 100 100 PHE C C 178.03 0.019 1 1082 100 100 PHE CA C 58.59 0.019 1 1083 100 100 PHE CB C 35.89 0.136 1 1084 100 100 PHE CD1 C 130.27 0.000 3 1085 100 100 PHE CD2 C 130.27 0.000 3 1086 100 100 PHE CE1 C 129.22 0.000 3 1087 100 100 PHE CE2 C 129.22 0.000 3 1088 100 100 PHE N N 119.94 0.024 1 1089 101 101 GLY H H 8.86 0.006 1 1090 101 101 GLY HA2 H 3.98 0.014 1 1091 101 101 GLY HA3 H 3.98 0.014 1 1092 101 101 GLY C C 176.81 0.014 1 1093 101 101 GLY CA C 47.25 0.028 1 1094 101 101 GLY N N 108.44 0.045 1 1095 102 102 GLN H H 8.15 0.009 1 1096 102 102 GLN HA H 4.03 0.021 1 1097 102 102 GLN HB2 H 2.06 0.017 2 1098 102 102 GLN HB3 H 1.87 0.039 2 1099 102 102 GLN HE21 H 7.24 0.000 1 1100 102 102 GLN HE22 H 6.74 0.000 1 1101 102 102 GLN HG2 H 2.02 0.000 2 1102 102 102 GLN HG3 H 1.82 0.000 2 1103 102 102 GLN C C 176.20 0.020 1 1104 102 102 GLN CA C 57.81 0.007 1 1105 102 102 GLN CB C 28.62 0.015 1 1106 102 102 GLN CG C 30.66 0.000 1 1107 102 102 GLN N N 122.80 0.039 1 1108 102 102 GLN NE2 N 110.60 0.001 1 1109 103 103 TYR H H 7.35 0.012 1 1110 103 103 TYR HA H 4.59 0.024 1 1111 103 103 TYR HB2 H 3.46 0.028 2 1112 103 103 TYR HB3 H 2.34 0.022 2 1113 103 103 TYR HD1 H 7.29 0.029 3 1114 103 103 TYR HD2 H 7.29 0.029 3 1115 103 103 TYR HE1 H 6.96 0.004 3 1116 103 103 TYR HE2 H 6.96 0.004 3 1117 103 103 TYR C C 173.05 0.009 1 1118 103 103 TYR CA C 58.79 0.086 1 1119 103 103 TYR CB C 38.74 0.057 1 1120 103 103 TYR CD1 C 130.70 0.000 3 1121 103 103 TYR CD2 C 130.70 0.000 3 1122 103 103 TYR CE1 C 115.41 0.000 3 1123 103 103 TYR CE2 C 115.41 0.000 3 1124 103 103 TYR N N 115.96 0.036 1 1125 104 104 SER H H 7.74 0.012 1 1126 104 104 SER HA H 4.12 0.000 1 1127 104 104 SER HB2 H 3.84 0.000 1 1128 104 104 SER HB3 H 3.84 0.000 1 1129 104 104 SER C C 171.70 0.000 1 1130 104 104 SER CA C 58.80 0.090 1 1131 104 104 SER CB C 61.58 0.077 1 1132 104 104 SER N N 113.59 0.034 1 1133 105 105 ILE H H 7.90 0.006 1 1134 105 105 ILE HA H 4.37 0.021 1 1135 105 105 ILE HB H 1.12 0.008 1 1136 105 105 ILE HD1 H 0.60 0.018 1 1137 105 105 ILE HG12 H 1.39 0.003 2 1138 105 105 ILE HG13 H 0.77 0.012 2 1139 105 105 ILE HG2 H -0.10 0.005 1 1140 105 105 ILE C C 175.16 0.011 1 1141 105 105 ILE CA C 59.03 0.053 1 1142 105 105 ILE CB C 38.73 0.058 1 1143 105 105 ILE CD1 C 12.57 0.032 1 1144 105 105 ILE CG1 C 25.22 0.017 1 1145 105 105 ILE CG2 C 14.11 0.067 1 1146 105 105 ILE N N 119.04 0.022 1 1147 106 106 PHE H H 8.53 0.008 1 1148 106 106 PHE HA H 4.62 0.000 1 1149 106 106 PHE HB2 H 2.85 0.005 1 1150 106 106 PHE HB3 H 2.85 0.005 1 1151 106 106 PHE HD1 H 7.12 0.052 3 1152 106 106 PHE HD2 H 7.12 0.052 3 1153 106 106 PHE HE1 H 7.09 0.043 3 1154 106 106 PHE HE2 H 7.09 0.043 3 1155 106 106 PHE C C 173.76 0.002 1 1156 106 106 PHE CA C 56.76 0.035 1 1157 106 106 PHE CB C 41.24 0.031 1 1158 106 106 PHE CD1 C 130.21 0.000 3 1159 106 106 PHE CD2 C 130.21 0.000 3 1160 106 106 PHE CE1 C 128.84 0.000 3 1161 106 106 PHE CE2 C 128.84 0.000 3 1162 106 106 PHE N N 129.47 0.027 1 1163 107 107 GLU H H 8.05 0.005 1 1164 107 107 GLU HA H 5.51 0.035 1 1165 107 107 GLU HB2 H 1.89 0.000 2 1166 107 107 GLU HB3 H 1.80 0.030 2 1167 107 107 GLU HG2 H 2.24 0.004 2 1168 107 107 GLU HG3 H 2.09 0.008 2 1169 107 107 GLU C C 174.46 0.005 1 1170 107 107 GLU CA C 53.74 0.045 1 1171 107 107 GLU CB C 34.76 0.083 1 1172 107 107 GLU CG C 32.82 0.017 1 1173 107 107 GLU N N 119.92 0.036 1 1174 108 108 TYR H H 8.69 0.034 1 1175 108 108 TYR HA H 4.72 0.041 1 1176 108 108 TYR HB2 H 2.82 0.004 1 1177 108 108 TYR HB3 H 2.82 0.004 1 1178 108 108 TYR HD1 H 7.15 0.012 3 1179 108 108 TYR HD2 H 7.15 0.012 3 1180 108 108 TYR HE1 H 6.94 0.018 3 1181 108 108 TYR HE2 H 6.94 0.018 3 1182 108 108 TYR C C 173.43 0.007 1 1183 108 108 TYR CA C 57.41 0.074 1 1184 108 108 TYR CB C 41.07 0.051 1 1185 108 108 TYR CD1 C 130.61 0.000 3 1186 108 108 TYR CD2 C 130.61 0.000 3 1187 108 108 TYR CE1 C 115.41 0.000 3 1188 108 108 TYR CE2 C 115.41 0.000 3 1189 108 108 TYR N N 121.72 0.039 1 1190 109 109 GLU H H 8.58 0.003 1 1191 109 109 GLU HA H 5.07 0.005 1 1192 109 109 GLU HB2 H 1.88 0.000 2 1193 109 109 GLU HB3 H 1.80 0.008 2 1194 109 109 GLU HG2 H 2.07 0.002 2 1195 109 109 GLU HG3 H 2.01 0.000 2 1196 109 109 GLU C C 174.18 0.007 1 1197 109 109 GLU CA C 55.35 0.038 1 1198 109 109 GLU CB C 33.20 0.031 1 1199 109 109 GLU CG C 34.21 0.000 1 1200 109 109 GLU N N 127.68 0.022 1 1201 110 110 VAL H H 8.67 0.019 1 1202 110 110 VAL HA H 4.42 0.007 1 1203 110 110 VAL HB H 2.12 0.016 1 1204 110 110 VAL HG1 H 0.88 0.000 2 1205 110 110 VAL HG2 H 0.86 0.001 2 1206 110 110 VAL C C 174.44 0.012 1 1207 110 110 VAL CA C 60.62 0.024 1 1208 110 110 VAL CB C 35.70 0.116 1 1209 110 110 VAL CG1 C 17.69 0.031 2 1210 110 110 VAL CG2 C 18.52 0.328 2 1211 110 110 VAL N N 122.58 0.045 1 1212 111 111 GLU H H 8.56 0.004 1 1213 111 111 GLU HA H 4.33 0.014 1 1214 111 111 GLU HB2 H 2.05 0.005 2 1215 111 111 GLU HB3 H 1.93 0.010 2 1216 111 111 GLU HG2 H 2.25 0.002 1 1217 111 111 GLU HG3 H 2.25 0.002 1 1218 111 111 GLU C C 175.31 0.011 1 1219 111 111 GLU CA C 56.94 0.032 1 1220 111 111 GLU CB C 30.65 0.036 1 1221 111 111 GLU N N 125.18 0.042 1 1222 112 112 HIS H H 8.71 0.007 1 1223 112 112 HIS HA H 4.57 0.009 1 1224 112 112 HIS HB2 H 3.28 0.013 2 1225 112 112 HIS HB3 H 2.73 0.027 2 1226 112 112 HIS HD2 H 6.95 0.001 1 1227 112 112 HIS C C 174.66 0.000 1 1228 112 112 HIS CA C 55.80 0.060 1 1229 112 112 HIS CB C 30.79 0.005 1 1230 112 112 HIS CD2 C 117.13 0.000 1 1231 112 112 HIS N N 126.22 0.058 1 1232 113 113 PRO HA H 4.36 0.000 1 1233 113 113 PRO HB2 H 2.31 0.001 2 1234 113 113 PRO HB3 H 1.92 0.000 2 1235 113 113 PRO HD2 H 3.64 0.001 1 1236 113 113 PRO HD3 H 3.64 0.001 1 1237 113 113 PRO HG2 H 2.01 0.000 1 1238 113 113 PRO HG3 H 2.01 0.000 1 1239 113 113 PRO C C 177.51 0.018 1 1240 113 113 PRO CA C 64.66 0.107 1 1241 113 113 PRO CB C 32.58 0.007 1 1242 114 114 GLU H H 10.05 0.011 1 1243 114 114 GLU HA H 4.46 0.013 1 1244 114 114 GLU HB2 H 2.22 0.010 2 1245 114 114 GLU HB3 H 2.06 0.000 2 1246 114 114 GLU HG2 H 2.31 0.021 1 1247 114 114 GLU HG3 H 2.31 0.021 1 1248 114 114 GLU C C 176.46 0.016 1 1249 114 114 GLU CA C 56.88 0.038 1 1250 114 114 GLU CB C 30.61 0.048 1 1251 114 114 GLU CG C 34.13 0.000 1 1252 114 114 GLU N N 118.32 0.018 1 1253 115 115 ASN H H 7.75 0.007 1 1254 115 115 ASN HA H 5.04 0.008 1 1255 115 115 ASN HB2 H 2.75 0.004 1 1256 115 115 ASN HB3 H 2.75 0.004 1 1257 115 115 ASN HD21 H 7.71 0.000 1 1258 115 115 ASN HD22 H 7.14 0.000 1 1259 115 115 ASN C C 172.30 0.000 1 1260 115 115 ASN CA C 50.89 0.035 1 1261 115 115 ASN CB C 39.06 0.002 1 1262 115 115 ASN N N 115.89 0.022 1 1263 115 115 ASN ND2 N 112.77 0.006 1 1264 116 116 PRO HA H 4.62 0.004 1 1265 116 116 PRO HB2 H 2.35 0.004 2 1266 116 116 PRO HB3 H 1.98 0.000 2 1267 116 116 PRO HD2 H 3.83 0.000 2 1268 116 116 PRO HD3 H 3.66 0.000 2 1269 116 116 PRO HG2 H 2.03 0.000 1 1270 116 116 PRO HG3 H 2.03 0.000 1 1271 116 116 PRO C C 176.37 0.013 1 1272 116 116 PRO CA C 64.26 0.078 1 1273 116 116 PRO CB C 32.50 0.065 1 1274 117 117 ASN H H 8.07 0.005 1 1275 117 117 ASN HA H 4.74 0.045 1 1276 117 117 ASN HB2 H 2.80 0.025 1 1277 117 117 ASN HB3 H 2.80 0.025 1 1278 117 117 ASN HD21 H 7.74 0.000 1 1279 117 117 ASN HD22 H 7.05 0.000 1 1280 117 117 ASN C C 174.68 0.000 1 1281 117 117 ASN CA C 54.05 0.033 1 1282 117 117 ASN CB C 39.30 0.039 1 1283 117 117 ASN N N 115.86 0.012 1 1284 117 117 ASN ND2 N 113.99 0.000 1 1285 118 118 GLU H H 8.16 0.021 1 1286 118 118 GLU HA H 4.76 0.019 1 1287 118 118 GLU HB2 H 1.72 0.036 1 1288 118 118 GLU HB3 H 1.72 0.036 1 1289 118 118 GLU HG2 H 2.08 0.000 1 1290 118 118 GLU HG3 H 2.08 0.000 1 1291 118 118 GLU C C 174.76 0.010 1 1292 118 118 GLU CA C 54.53 0.065 1 1293 118 118 GLU CB C 31.21 0.078 1 1294 118 118 GLU N N 120.80 0.018 1 1295 119 119 LYS H H 8.61 0.019 1 1296 119 119 LYS HA H 5.12 0.006 1 1297 119 119 LYS HB2 H 1.77 0.010 1 1298 119 119 LYS HB3 H 1.77 0.010 1 1299 119 119 LYS HD2 H 1.57 0.000 1 1300 119 119 LYS HD3 H 1.57 0.000 1 1301 119 119 LYS HE2 H 2.89 0.000 1 1302 119 119 LYS HE3 H 2.89 0.000 1 1303 119 119 LYS HG2 H 1.39 0.002 1 1304 119 119 LYS HG3 H 1.39 0.002 1 1305 119 119 LYS C C 176.24 0.015 1 1306 119 119 LYS CA C 54.96 0.046 1 1307 119 119 LYS CB C 35.17 0.104 1 1308 119 119 LYS N N 119.16 0.071 1 1309 120 120 GLU H H 8.96 0.008 1 1310 120 120 GLU HA H 5.17 0.022 1 1311 120 120 GLU HB2 H 2.06 0.000 2 1312 120 120 GLU HB3 H 1.80 0.030 2 1313 120 120 GLU HG2 H 2.33 0.002 2 1314 120 120 GLU HG3 H 2.14 0.006 2 1315 120 120 GLU C C 174.85 0.015 1 1316 120 120 GLU CA C 55.52 0.072 1 1317 120 120 GLU CB C 32.08 0.082 1 1318 120 120 GLU CG C 33.65 0.021 1 1319 120 120 GLU N N 125.40 0.017 1 1320 121 121 VAL H H 8.69 0.011 1 1321 121 121 VAL HA H 4.96 0.006 1 1322 121 121 VAL HB H 1.99 0.015 1 1323 121 121 VAL HG1 H 0.78 0.005 2 1324 121 121 VAL HG2 H 0.73 0.008 2 1325 121 121 VAL C C 176.26 0.016 1 1326 121 121 VAL CA C 61.06 0.029 1 1327 121 121 VAL CB C 32.59 0.122 1 1328 121 121 VAL CG1 C 18.79 0.103 2 1329 121 121 VAL CG2 C 19.04 0.003 2 1330 121 121 VAL N N 128.72 0.043 1 1331 122 122 THR H H 9.37 0.016 1 1332 122 122 THR HA H 5.19 0.037 1 1333 122 122 THR HB H 3.89 0.000 1 1334 122 122 THR HG2 H 1.05 0.000 1 1335 122 122 THR C C 174.02 0.009 1 1336 122 122 THR CA C 61.55 0.102 1 1337 122 122 THR CB C 69.63 0.100 1 1338 122 122 THR CG2 C 20.25 0.000 1 1339 122 122 THR N N 128.39 0.114 1 1340 123 123 ILE H H 9.10 0.011 1 1341 123 123 ILE HA H 6.02 0.011 1 1342 123 123 ILE HB H 1.49 0.002 1 1343 123 123 ILE HD1 H 0.41 0.002 1 1344 123 123 ILE HG12 H 1.15 0.009 1 1345 123 123 ILE HG13 H 1.15 0.009 1 1346 123 123 ILE HG2 H 0.78 0.010 1 1347 123 123 ILE C C 174.39 0.023 1 1348 123 123 ILE CA C 58.54 0.090 1 1349 123 123 ILE CB C 41.89 0.059 1 1350 123 123 ILE CD1 C 11.71 0.101 1 1351 123 123 ILE CG1 C 62.73 0.087 1 1352 123 123 ILE CG2 C 15.26 0.001 1 1353 123 123 ILE N N 119.27 0.088 1 1354 124 124 ARG H H 8.30 0.011 1 1355 124 124 ARG HA H 4.72 0.011 1 1356 124 124 ARG HB2 H 1.63 0.011 1 1357 124 124 ARG HB3 H 1.63 0.011 1 1358 124 124 ARG HD2 H 2.93 0.008 1 1359 124 124 ARG HD3 H 2.93 0.008 1 1360 124 124 ARG HG2 H 1.43 0.006 1 1361 124 124 ARG HG3 H 1.43 0.006 1 1362 124 124 ARG C C 173.38 0.006 1 1363 124 124 ARG CA C 54.52 0.086 1 1364 124 124 ARG CB C 33.96 0.130 1 1365 124 124 ARG N N 115.46 0.076 1 1366 125 125 ALA H H 9.38 0.004 1 1367 125 125 ALA HA H 4.66 0.010 1 1368 125 125 ALA HB H 1.26 0.012 1 1369 125 125 ALA C C 179.88 0.028 1 1370 125 125 ALA CA C 50.73 0.065 1 1371 125 125 ALA CB C 20.72 0.038 1 1372 125 125 ALA N N 125.46 0.039 1 1373 126 126 GLU H H 9.33 0.005 1 1374 126 126 GLU HA H 4.02 0.018 1 1375 126 126 GLU HB2 H 2.31 0.006 2 1376 126 126 GLU HB3 H 2.11 0.008 2 1377 126 126 GLU HG2 H 2.53 0.000 2 1378 126 126 GLU HG3 H 2.31 0.010 2 1379 126 126 GLU C C 176.17 0.000 1 1380 126 126 GLU CA C 59.55 0.046 1 1381 126 126 GLU CB C 29.67 0.048 1 1382 126 126 GLU CG C 33.33 0.000 1 1383 126 126 GLU N N 126.21 0.039 1 1384 127 127 ASP H H 8.04 0.013 1 1385 127 127 ASP HA H 4.74 0.017 1 1386 127 127 ASP HB2 H 2.73 0.000 1 1387 127 127 ASP HB3 H 2.73 0.000 1 1388 127 127 ASP C C 176.22 0.000 1 1389 127 127 ASP CA C 52.66 0.077 1 1390 127 127 ASP CB C 40.68 0.000 1 1391 127 127 ASP N N 115.71 0.046 1 1392 128 128 CYS H H 7.98 0.011 1 1393 128 128 CYS HA H 4.77 0.009 1 1394 128 128 CYS HB2 H 4.39 0.001 1 1395 128 128 CYS HB3 H 4.39 0.001 1 1396 128 128 CYS C C 173.58 0.000 1 1397 128 128 CYS CA C 58.52 0.129 1 1398 128 128 CYS CB C 44.04 0.022 1 1399 128 128 CYS N N 114.65 0.055 1 1400 129 129 GLY H H 7.69 0.008 1 1401 129 129 GLY HA2 H 4.35 0.000 2 1402 129 129 GLY HA3 H 3.64 0.007 2 1403 129 129 GLY C C 172.82 0.009 1 1404 129 129 GLY CA C 43.71 0.091 1 1405 129 129 GLY N N 106.07 0.035 1 1406 130 130 CYS H H 8.21 0.005 1 1407 130 130 CYS HA H 4.45 0.013 1 1408 130 130 CYS HB2 H 2.72 0.012 1 1409 130 130 CYS HB3 H 2.72 0.012 1 1410 130 130 CYS C C 174.47 0.015 1 1411 130 130 CYS CA C 58.16 0.058 1 1412 130 130 CYS CB C 27.96 0.026 1 1413 130 130 CYS N N 117.05 0.054 1 1414 131 131 ILE H H 8.06 0.008 1 1415 131 131 ILE HA H 4.15 0.021 1 1416 131 131 ILE HB H 1.86 0.012 1 1417 131 131 ILE HD1 H 0.46 0.003 1 1418 131 131 ILE HG12 H 1.51 0.010 2 1419 131 131 ILE HG13 H 0.89 0.020 2 1420 131 131 ILE HG2 H 0.61 0.008 1 1421 131 131 ILE C C 173.35 0.000 1 1422 131 131 ILE CA C 55.94 0.049 1 1423 131 131 ILE CB C 36.11 0.105 1 1424 131 131 ILE CD1 C 5.85 0.067 1 1425 131 131 ILE CG1 C 24.82 0.017 1 1426 131 131 ILE CG2 C 13.43 0.057 1 1427 131 131 ILE N N 123.94 0.036 1 1428 132 132 PRO HA H 4.33 0.004 1 1429 132 132 PRO HB2 H 2.42 0.012 2 1430 132 132 PRO HB3 H 1.78 0.009 2 1431 132 132 PRO HD2 H 3.97 0.000 2 1432 132 132 PRO HD3 H 3.38 0.043 2 1433 132 132 PRO HG2 H 2.18 0.000 2 1434 132 132 PRO HG3 H 2.04 0.000 2 1435 132 132 PRO C C 175.91 0.009 1 1436 132 132 PRO CA C 63.46 0.092 1 1437 132 132 PRO CB C 32.54 0.082 1 1438 132 132 PRO CD C 48.40 0.039 1 1439 133 133 GLU H H 8.49 0.003 1 1440 133 133 GLU HA H 3.91 0.021 1 1441 133 133 GLU HB2 H 2.12 0.000 2 1442 133 133 GLU HB3 H 2.00 0.000 2 1443 133 133 GLU HG2 H 2.31 0.004 2 1444 133 133 GLU HG3 H 2.18 0.000 2 1445 133 133 GLU C C 178.09 0.013 1 1446 133 133 GLU CA C 58.81 0.013 1 1447 133 133 GLU CB C 29.58 0.006 1 1448 133 133 GLU CG C 33.81 0.070 1 1449 133 133 GLU N N 123.17 0.027 1 1450 134 134 GLU H H 9.74 0.006 1 1451 134 134 GLU HA H 3.90 0.017 1 1452 134 134 GLU HB2 H 1.97 0.011 2 1453 134 134 GLU HB3 H 1.55 0.015 2 1454 134 134 GLU HG2 H 2.23 0.009 2 1455 134 134 GLU HG3 H 1.85 0.001 2 1456 134 134 GLU C C 177.43 0.012 1 1457 134 134 GLU CA C 60.46 0.028 1 1458 134 134 GLU CB C 29.20 0.141 1 1459 134 134 GLU CG C 33.70 0.054 1 1460 134 134 GLU N N 120.04 0.012 1 1461 135 135 VAL H H 7.12 0.009 1 1462 135 135 VAL HA H 4.48 0.023 1 1463 135 135 VAL HB H 2.55 0.021 1 1464 135 135 VAL HG1 H 0.80 0.002 2 1465 135 135 VAL HG2 H 0.83 0.011 2 1466 135 135 VAL C C 173.86 0.015 1 1467 135 135 VAL CA C 60.95 0.068 1 1468 135 135 VAL CB C 31.22 0.066 1 1469 135 135 VAL CG1 C 16.79 0.086 2 1470 135 135 VAL CG2 C 20.32 0.001 2 1471 135 135 VAL N N 108.08 0.019 1 1472 136 136 ILE H H 7.75 0.009 1 1473 136 136 ILE HA H 4.31 0.025 1 1474 136 136 ILE HB H 2.06 0.020 1 1475 136 136 ILE HD1 H 0.90 0.010 1 1476 136 136 ILE HG12 H 1.70 0.006 2 1477 136 136 ILE HG13 H 0.95 0.014 2 1478 136 136 ILE HG2 H 0.92 0.000 1 1479 136 136 ILE C C 175.56 0.015 1 1480 136 136 ILE CA C 61.69 0.104 1 1481 136 136 ILE CB C 38.33 0.056 1 1482 136 136 ILE CD1 C 11.99 0.071 1 1483 136 136 ILE CG1 C 24.70 0.081 1 1484 136 136 ILE CG2 C 15.43 0.017 1 1485 136 136 ILE N N 124.41 0.038 1 1486 137 137 ILE H H 9.17 0.006 1 1487 137 137 ILE HA H 4.11 0.017 1 1488 137 137 ILE HB H 1.56 0.017 1 1489 137 137 ILE HD1 H 0.69 0.012 1 1490 137 137 ILE HG12 H 1.35 0.004 2 1491 137 137 ILE HG13 H 1.06 0.007 2 1492 137 137 ILE HG2 H 0.79 0.006 1 1493 137 137 ILE C C 175.83 0.016 1 1494 137 137 ILE CA C 61.90 0.086 1 1495 137 137 ILE CB C 39.12 0.107 1 1496 137 137 ILE CD1 C 11.01 0.070 1 1497 137 137 ILE CG1 C 25.16 0.017 1 1498 137 137 ILE CG2 C 14.34 0.007 1 1499 137 137 ILE N N 128.98 0.094 1 1500 138 138 ALA H H 7.65 0.016 1 1501 138 138 ALA HA H 4.49 0.013 1 1502 138 138 ALA HB H 1.31 0.020 1 1503 138 138 ALA C C 173.34 0.010 1 1504 138 138 ALA CA C 51.59 0.075 1 1505 138 138 ALA CB C 22.73 0.076 1 1506 138 138 ALA N N 120.11 0.020 1 1507 139 139 LYS H H 8.37 0.004 1 1508 139 139 LYS HA H 4.65 0.019 1 1509 139 139 LYS HB2 H 1.48 0.022 2 1510 139 139 LYS HB3 H 1.10 0.021 2 1511 139 139 LYS HD2 H 1.31 0.000 2 1512 139 139 LYS HD3 H 1.01 0.000 2 1513 139 139 LYS HE2 H 2.80 0.000 2 1514 139 139 LYS HE3 H 2.69 0.000 2 1515 139 139 LYS HG2 H 0.27 0.006 2 1516 139 139 LYS HG3 H -0.40 0.004 2 1517 139 139 LYS C C 174.41 0.009 1 1518 139 139 LYS CA C 55.40 0.049 1 1519 139 139 LYS CB C 34.44 0.046 1 1520 139 139 LYS CE C 38.47 0.018 1 1521 139 139 LYS CG C 22.33 0.056 1 1522 139 139 LYS N N 123.76 0.021 1 1523 140 140 GLU H H 9.00 0.009 1 1524 140 140 GLU HA H 4.54 0.023 1 1525 140 140 GLU HB2 H 1.91 0.017 1 1526 140 140 GLU HB3 H 1.91 0.017 1 1527 140 140 GLU HG2 H 2.17 0.003 2 1528 140 140 GLU HG3 H 2.03 0.003 2 1529 140 140 GLU C C 175.01 0.007 1 1530 140 140 GLU CA C 55.52 0.071 1 1531 140 140 GLU CB C 32.18 0.088 1 1532 140 140 GLU CG C 33.12 0.000 1 1533 140 140 GLU N N 128.49 0.030 1 1534 141 141 LEU H H 8.69 0.004 1 1535 141 141 LEU HA H 4.58 0.024 1 1536 141 141 LEU HB2 H 1.83 0.040 2 1537 141 141 LEU HB3 H 1.48 0.017 2 1538 141 141 LEU HD1 H 0.80 0.006 2 1539 141 141 LEU HD2 H 0.34 0.005 2 1540 141 141 LEU HG H 1.14 0.006 1 1541 141 141 LEU C C 175.00 0.011 1 1542 141 141 LEU CA C 55.01 0.057 1 1543 141 141 LEU CB C 42.95 0.087 1 1544 141 141 LEU CD1 C 23.42 0.065 2 1545 141 141 LEU CD2 C 19.54 0.043 2 1546 141 141 LEU CG C 25.25 0.018 1 1547 141 141 LEU N N 127.20 0.020 1 1548 142 142 ILE H H 9.67 0.005 1 1549 142 142 ILE HA H 4.22 0.011 1 1550 142 142 ILE HB H 1.76 0.028 1 1551 142 142 ILE HD1 H 0.68 0.006 1 1552 142 142 ILE HG12 H 1.41 0.000 2 1553 142 142 ILE HG13 H 1.05 0.001 2 1554 142 142 ILE HG2 H 0.68 0.004 1 1555 142 142 ILE C C 173.49 0.007 1 1556 142 142 ILE CA C 58.66 0.070 1 1557 142 142 ILE CB C 36.75 0.089 1 1558 142 142 ILE CD1 C 15.51 0.041 1 1559 142 142 ILE CG1 C 24.06 0.000 1 1560 142 142 ILE CG2 C 16.01 0.019 1 1561 142 142 ILE N N 131.81 0.045 1 1562 143 143 GLU H H 8.26 0.006 1 1563 143 143 GLU HA H 4.46 0.006 1 1564 143 143 GLU HB2 H 1.91 0.012 2 1565 143 143 GLU HB3 H 1.77 0.005 2 1566 143 143 GLU HG2 H 2.06 0.013 2 1567 143 143 GLU HG3 H 1.91 0.006 2 1568 143 143 GLU C C 176.36 0.013 1 1569 143 143 GLU CA C 54.59 0.032 1 1570 143 143 GLU CB C 31.76 0.084 1 1571 143 143 GLU CG C 35.15 0.016 1 1572 143 143 GLU N N 125.91 0.029 1 1573 144 144 ILE H H 8.21 0.006 1 1574 144 144 ILE HA H 4.22 0.018 1 1575 144 144 ILE HB H 1.80 0.020 1 1576 144 144 ILE HD1 H 0.72 0.013 1 1577 144 144 ILE HG12 H 1.25 0.146 1 1578 144 144 ILE HG13 H 1.25 0.146 1 1579 144 144 ILE HG2 H 0.60 0.007 1 1580 144 144 ILE C C 175.43 0.012 1 1581 144 144 ILE CA C 60.00 0.056 1 1582 144 144 ILE CB C 38.63 0.044 1 1583 144 144 ILE CD1 C 10.30 0.023 1 1584 144 144 ILE CG1 C 23.92 0.139 1 1585 144 144 ILE CG2 C 8.03 0.067 1 1586 144 144 ILE N N 121.61 0.016 1 1587 145 145 ASN H H 8.62 0.004 1 1588 145 145 ASN HA H 4.79 0.001 1 1589 145 145 ASN HB2 H 2.77 0.000 2 1590 145 145 ASN HB3 H 2.69 0.000 2 1591 145 145 ASN C C 174.55 0.013 1 1592 145 145 ASN CA C 52.98 0.014 1 1593 145 145 ASN CB C 39.02 0.039 1 1594 145 145 ASN N N 121.68 0.021 1 1595 146 146 LEU H H 8.29 0.006 1 1596 146 146 LEU HA H 4.33 0.004 1 1597 146 146 LEU HB2 H 1.53 0.011 1 1598 146 146 LEU HB3 H 1.53 0.011 1 1599 146 146 LEU HD1 H 0.86 0.000 2 1600 146 146 LEU HD2 H 0.77 0.009 2 1601 146 146 LEU C C 177.05 0.010 1 1602 146 146 LEU CA C 55.21 0.037 1 1603 146 146 LEU CB C 42.55 0.038 1 1604 146 146 LEU CD1 C 22.38 0.051 2 1605 146 146 LEU CD2 C 20.58 0.030 2 1606 146 146 LEU N N 124.24 0.010 1 1607 147 147 GLU H H 8.32 0.004 1 1608 147 147 GLU HA H 4.33 0.000 1 1609 147 147 GLU HB2 H 1.96 0.000 1 1610 147 147 GLU HB3 H 1.96 0.000 1 1611 147 147 GLU HG2 H 2.26 0.000 1 1612 147 147 GLU HG3 H 2.26 0.000 1 1613 147 147 GLU C C 175.96 0.019 1 1614 147 147 GLU CA C 56.84 0.038 1 1615 147 147 GLU CB C 30.39 0.102 1 1616 147 147 GLU N N 121.62 0.012 1 1617 148 148 HIS H H 8.13 0.005 1 1618 148 148 HIS C C 174.83 0.000 1 1619 148 148 HIS CA C 56.30 0.152 1 1620 148 148 HIS CB C 31.04 0.000 1 1621 148 148 HIS N N 120.32 0.078 1 1622 149 149 HIS H H 7.93 0.000 1 1623 149 149 HIS N N 126.68 0.000 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units ms-1 _Mol_system_component_name NMB1343 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLY N 738.4 148 2 3 ASN N 735.5 51.9 3 5 LEU N 718.3 38.3 4 6 TYR N 749.8 60.4 5 7 ARG N 832.9 57.2 6 8 GLY N 830.3 31 7 9 ILE N 750.2 61.9 8 10 SER N 919.5 60.4 9 11 CYS N 877 142 10 12 GLN N 769 61.9 11 13 GLN N 743.5 71.8 12 14 ASP N 804.8 49.8 13 15 GLU N 871.2 54.5 14 16 GLN N 818.1 55.6 15 17 ASN N 939.6 91.5 16 18 ASN N 723.5 28.5 17 19 GLY N 732.9 62.4 18 20 GLN N 758.3 59.3 19 21 LEU N 781.2 50.6 20 22 LYS N 937.3 65.1 21 24 LYS N 673.3 79.5 22 25 GLY N 494.7 59.3 23 29 GLU N 568.4 297 24 30 VAL N 639.1 55 25 31 ALA N 571.1 122 26 34 TYR N 387.4 108 27 35 ASP N 531.6 101 28 36 GLY N 504.9 95.4 29 39 LYS N 536.4 68.7 30 42 GLY N 540.5 119 31 44 ALA N 619.9 134 32 46 HIS N 642.7 118 33 50 VAL N 532.5 40.9 34 51 LYS N 595.4 87.1 35 54 VAL N 670.6 96.2 36 55 TYR N 606.1 127 37 59 ILE N 641.7 78.3 38 61 THR N 662.3 67.6 39 62 GLY N 594.4 179 40 63 LEU N 674.4 83.6 41 64 TYR N 707.8 62.9 42 67 CYS N 641.1 169 43 68 TYR N 740.1 72.4 44 69 ILE N 868.6 47 45 70 SER N 692.7 52.4 46 71 THR N 908.1 81.1 47 72 THR N 884.1 29.2 48 74 ASP N 792 99.2 49 75 LYS N 775.7 59.8 50 77 ILE N 836.5 21.8 51 78 ALA N 789.2 34.6 52 80 LYS N 804.6 58.1 53 81 PHE N 825.5 25.1 54 82 ALA N 783.5 42.5 55 83 THR N 830.9 80.1 56 84 SER N 821 91.4 57 85 SER N 851.8 49.6 58 86 GLY N 932.6 81.3 59 87 ILE N 923.8 42.8 60 88 GLU N 773.3 63 61 89 ASN N 805.2 30.7 62 90 GLY N 850.4 41.2 63 91 TYR N 834.1 84.5 64 92 ILE N 878.3 42.3 65 93 TYR N 811.2 48.3 66 94 VAL N 802.3 79.6 67 95 LEU N 781.7 67.5 68 96 ASN N 842.9 30 69 97 ARG N 903.5 59.3 70 98 ASP N 875.5 21.9 71 99 LEU N 814.5 23.3 72 100 PHE N 785.5 68.6 73 101 GLY N 824.2 248 74 103 TYR N 844.9 50.6 75 104 SER N 820.9 65.8 76 106 PHE N 923.4 64.8 77 107 GLU N 851.8 88.4 78 109 GLU N 846.6 40.5 79 110 VAL N 798.1 23.8 80 111 GLU N 826.6 50.1 81 112 HIS N 762.7 51.5 82 114 GLU N 787.6 288 83 115 ASN N 857.9 28.5 84 117 ASN N 727.7 40.6 85 119 LYS N 754.2 65.9 86 120 GLU N 796.6 35.7 87 121 VAL N 1038 77.4 88 122 THR N 833 57.6 89 123 ILE N 861.9 85.5 90 125 ALA N 766.1 120 91 126 GLU N 872.1 64.5 92 128 CYS N 742.6 77.6 93 131 ILE N 827.5 61.5 94 133 GLU N 875.4 23.6 95 134 GLU N 862.9 13.6 96 135 VAL N 811.7 59.6 97 136 ILE N 808.5 71.5 98 137 ILE N 785.6 35.5 99 138 ALA N 832.1 16.8 100 140 GLU N 896.4 59.7 101 141 LEU N 914.6 36 102 142 ILE N 912.7 62.3 103 143 GLU N 853.4 42.6 104 144 ILE N 803.9 66.7 105 145 ASN N 811.2 48 106 146 LEU N 641.6 96.5 107 147 GLU N 588.1 96.9 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nz _T2_value_units ms-1 _Mol_system_component_name NMB1343 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 GLY N 53.06 5.62 . . 2 3 ASN N 49 2.84 . . 3 5 LEU N 67.85 6.12 . . 4 6 TYR N 71.68 6.13 . . 5 7 ARG N 66.95 3.37 . . 6 8 GLY N 63.32 4.22 . . 7 9 ILE N 58.54 1.91 . . 8 10 SER N 57.85 2.64 . . 9 11 CYS N 57.13 3.12 . . 10 12 GLN N 56.61 2.41 . . 11 13 GLN N 62.4 3 . . 12 14 ASP N 54.85 2.89 . . 13 15 GLU N 64.36 3.32 . . 14 16 GLN N 65.09 2.45 . . 15 17 ASN N 58.48 5.54 . . 16 18 ASN N 57.04 5.22 . . 17 19 GLY N 56.03 5.59 . . 18 20 GLN N 63.76 4.62 . . 19 21 LEU N 65.22 4.78 . . 20 22 LYS N 60.95 7 . . 21 24 LYS N 111.1 13 . . 22 25 GLY N 57.81 5.23 . . 23 29 GLU N 65.76 3.83 . . 24 30 VAL N 82.41 4.7 . . 25 31 ALA N 69.59 3.96 . . 26 34 TYR N 73 5.25 . . 27 35 ASP N 68.78 2.3 . . 28 36 GLY N 70.8 8.68 . . 29 39 LYS N 66.25 4.31 . . 30 42 GLY N 75.97 10.8 . . 31 44 ALA N 69.52 6.4 . . 32 46 HIS N 119.8 12.6 . . 33 50 VAL N 83.48 8.96 . . 34 51 LYS N 81.5 7.44 . . 35 54 VAL N 81.95 8.55 . . 36 55 TYR N 69.44 4.5 . . 37 59 ILE N 75.78 2.94 . . 38 61 THR N 47.33 6 . . 39 62 GLY N 49.28 7.45 . . 40 63 LEU N 59.9 6.72 . . 41 64 TYR N 59.58 2.45 . . 42 67 CYS N 43.99 2.64 . . 43 68 TYR N 49.69 4.98 . . 44 69 ILE N 55.47 2.92 . . 45 70 SER N 63.96 4.49 . . 46 71 THR N 53.92 2.28 . . 47 72 THR N 61.73 2.35 . . 48 74 ASP N 52.68 1.92 . . 49 75 LYS N 60.79 2.32 . . 50 77 ILE N 67.45 4.07 . . 51 78 ALA N 63.42 2.94 . . 52 80 LYS N 66.08 4.71 . . 53 81 PHE N 66.73 5.47 . . 54 82 ALA N 68.19 4.42 . . 55 83 THR N 63.07 2.35 . . 56 84 SER N 53.27 2.7 . . 57 85 SER N 60.86 2.69 . . 58 86 GLY N 57.07 5.97 . . 59 87 ILE N 58.32 2.18 . . 60 88 GLU N 68.75 7.14 . . 61 89 ASN N 68.13 3.28 . . 62 90 GLY N 58.59 3.27 . . 63 91 TYR N 59.24 3.13 . . 64 92 ILE N 70.83 4.27 . . 65 93 TYR N 66.79 4.35 . . 66 94 VAL N 72.87 4.73 . . 67 95 LEU N 69.09 4 . . 68 96 ASN N 68.9 5.65 . . 69 97 ARG N 82.39 3.71 . . 70 98 ASP N 54.53 4.32 . . 71 99 LEU N 65.56 3.45 . . 72 100 PHE N 58.75 4.35 . . 73 101 GLY N 46.58 3.89 . . 74 103 TYR N 68.23 2.75 . . 75 104 SER N 65.79 2.66 . . 76 106 PHE N 67 5.82 . . 77 107 GLU N 63 2.49 . . 78 109 GLU N 58.23 4.03 . . 79 110 VAL N 60.14 2.12 . . 80 111 GLU N 66.39 3.42 . . 81 112 HIS N 47.21 3.64 . . 82 114 GLU N 68.82 6.78 . . 83 115 ASN N 63.84 2.19 . . 84 117 ASN N 59.76 3.02 . . 85 119 LYS N 57.72 2.16 . . 86 120 GLU N 53.44 3.59 . . 87 121 VAL N 55.84 5.65 . . 88 122 THR N 57.82 4.49 . . 89 123 ILE N 59.59 4.93 . . 90 125 ALA N 59.22 4.63 . . 91 126 GLU N 53.47 2.87 . . 92 128 CYS N 47.18 4.48 . . 93 131 ILE N 57.44 3.86 . . 94 133 GLU N 73.16 1.82 . . 95 134 GLU N 65.19 4.14 . . 96 135 VAL N 71.18 2.06 . . 97 136 ILE N 65.81 2.31 . . 98 137 ILE N 73.83 2.36 . . 99 138 ALA N 65.25 3.71 . . 100 140 GLU N 63.14 4 . . 101 141 LEU N 75.07 3.03 . . 102 142 ILE N 60.76 2.83 . . 103 143 GLU N 72.03 1.87 . . 104 144 ILE N 71.38 3.79 . . 105 145 ASN N 61.49 3.24 . . 106 146 LEU N 87.4 5.31 . . 107 147 GLU N 98.26 14.8 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N NOESY' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name NMB1343 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 GLY 3.80 0.48 3 ASN 4.43 0.50 5 LEU 3.43 0.29 6 TYR 4.50 0.50 7 ARG 3.18 0.22 8 GLY 3.56 0.30 9 ILE 3.69 0.31 10 SER 3.53 0.28 11 CYS 3.46 0.37 12 GLN 3.36 0.18 13 GLN 3.12 0.24 14 ASP 4.11 0.42 15 GLU 3.64 0.16 16 GLN 2.98 0.16 17 ASN 3.31 0.23 18 ASN 3.58 0.22 19 GLY 3.41 0.21 20 GLN 3.15 0.27 21 LEU 2.39 0.25 22 LYS 2.51 0.28 24 LYS 2.93 0.45 25 GLY 3.89 0.74 27 LYS 2.98 0.23 29 GLU 1.15 0.25 31 ALA 1.30 0.19 36 GLY 1.74 0.45 40 TYR 1.60 0.32 41 ASP 2.19 0.46 42 GLY 2.30 0.44 50 VAL 1.57 0.31 51 LYS 1.86 0.52 54 VAL 2.08 0.12 55 TYR 2.33 0.23 57 HIS 2.00 0.83 59 ILE 2.13 0.16 61 THR 3.39 0.50 62 GLY 2.61 0.50 63 LEU 3.43 0.31 64 TYR 2.21 0.21 67 CYS 3.61 0.46 68 TYR 3.79 0.36 69 ILE 5.56 1.19 70 SER 3.07 0.27 71 THR 3.43 0.37 72 THR 3.88 0.34 74 ASP 3.83 0.34 75 LYS 2.99 0.20 77 ILE 3.94 0.28 78 ALA 3.80 0.21 80 LYS 4.08 0.20 81 PHE 3.81 0.20 82 ALA 3.42 0.19 83 THR 3.71 0.29 84 SER 4.33 0.27 85 SER 3.97 0.28 86 GLY 3.40 0.24 87 ILE 4.21 0.34 88 GLU 3.60 0.23 89 ASN 3.52 0.17 91 TYR 3.31 0.24 92 ILE 4.02 0.35 93 TYR 4.20 0.39 94 VAL 3.57 0.30 95 LEU 4.10 0.39 96 ASN 3.04 0.25 98 ASP 5.01 0.42 99 LEU 3.83 0.28 100 PHE 4.65 0.34 101 GLY 3.56 0.32 103 TYR 4.10 0.31 104 SER 4.35 0.37 106 PHE 4.24 0.53 107 GLU 4.04 0.42 109 GLU 3.61 0.35 110 VAL 3.26 0.30 111 GLU 3.80 0.23 112 HIS 2.78 0.30 114 GLU 2.53 0.81 115 ASN 2.89 0.24 117 ASN 3.65 0.23 119 LYS 3.98 0.50 120 GLU 3.43 0.50 121 VAL 3.75 0.39 122 THR 4.18 0.59 123 ILE 5.24 0.96 125 ALA 3.65 0.42 126 GLU 4.03 0.51 128 CYS 3.39 0.29 131 ILE 3.49 0.34 133 GLU 3.24 0.22 134 GLU 3.80 0.21 135 VAL 3.77 0.29 136 ILE 3.37 0.22 137 ILE 4.99 1.05 138 ALA 3.88 0.23 139 LYS 3.78 0.18 140 GLU 2.89 0.28 141 LEU 3.70 0.20 142 ILE 4.14 0.33 143 GLU 3.57 0.23 144 ILE 4.07 0.32 146 LEU 0.46 0.12 147 GLU 0.40 0.08 stop_ save_