data_5055 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of HI0257, a Bacterial Binding Protein ; _BMRB_accession_number 5055 _BMRB_flat_file_name bmr5055.str _Entry_type original _Submission_date 2001-06-13 _Accession_date 2001-06-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Parsons L. . . 2 Eisenstein E. . . 3 Orban J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 550 "13C chemical shifts" 397 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-10-16 original author . stop_ _Original_release_date 2001-10-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of HI0257, a Bacterial Ribosome Binding Protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11551193 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Parsons L. . . 2 Eisenstein E. . . 3 Orban J. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 40 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10979 _Page_last 10986 _Year 2001 _Details . loop_ _Keyword 'DSRNA binding protein' NMR proteome 'solution structure' ribosome stop_ save_ ################################## # Molecular system description # ################################## save_system_YfiA _Saveframe_category molecular_system _Mol_system_name 'HYPOTHETICAL PROTEIN HI0257' _Abbreviation_common YfiA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HI0257 $HI0257 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'RNA binding protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HI0257 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HI0257 _Abbreviation_common HI0257 _Molecular_mass 12472 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; GSHMTLNITSKQMDITPAIR EHLEERLAKLGKWQTQLISP HFVLNKVPNGFSVEASIGTP LGNLLASATSDDMYKAINEV EEKLERQLNKLQHKSESRRA DERLKDSFEN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 THR 6 3 LEU 7 4 ASN 8 5 ILE 9 6 THR 10 7 SER 11 8 LYS 12 9 GLN 13 10 MET 14 11 ASP 15 12 ILE 16 13 THR 17 14 PRO 18 15 ALA 19 16 ILE 20 17 ARG 21 18 GLU 22 19 HIS 23 20 LEU 24 21 GLU 25 22 GLU 26 23 ARG 27 24 LEU 28 25 ALA 29 26 LYS 30 27 LEU 31 28 GLY 32 29 LYS 33 30 TRP 34 31 GLN 35 32 THR 36 33 GLN 37 34 LEU 38 35 ILE 39 36 SER 40 37 PRO 41 38 HIS 42 39 PHE 43 40 VAL 44 41 LEU 45 42 ASN 46 43 LYS 47 44 VAL 48 45 PRO 49 46 ASN 50 47 GLY 51 48 PHE 52 49 SER 53 50 VAL 54 51 GLU 55 52 ALA 56 53 SER 57 54 ILE 58 55 GLY 59 56 THR 60 57 PRO 61 58 LEU 62 59 GLY 63 60 ASN 64 61 LEU 65 62 LEU 66 63 ALA 67 64 SER 68 65 ALA 69 66 THR 70 67 SER 71 68 ASP 72 69 ASP 73 70 MET 74 71 TYR 75 72 LYS 76 73 ALA 77 74 ILE 78 75 ASN 79 76 GLU 80 77 VAL 81 78 GLU 82 79 GLU 83 80 LYS 84 81 LEU 85 82 GLU 86 83 ARG 87 84 GLN 88 85 LEU 89 86 ASN 90 87 LYS 91 88 LEU 92 89 GLN 93 90 HIS 94 91 LYS 95 92 SER 96 93 GLU 97 94 SER 98 95 ARG 99 96 ARG 100 97 ALA 101 98 ASP 102 99 GLU 103 100 ARG 104 101 LEU 105 102 LYS 106 103 ASP 107 104 SER 108 105 PHE 109 106 GLU 110 107 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1IMU "Solution Structure Of Hi0257, A Ribosome Binding Protein" 97.27 107 100.00 100.00 1.89e-71 EMBL CBW28505 "cold shock protein associated with 30S ribosomal subunit [Haemophilus influenzae 10810]" 97.27 107 98.13 100.00 2.51e-70 EMBL CBY80445 "putative uncharacterised protein [Haemophilus influenzae F3031]" 97.27 107 100.00 100.00 1.89e-71 EMBL CBY86679 "Putative uncharacterised protein [Haemophilus influenzae F3047]" 97.27 107 100.00 100.00 1.89e-71 GB AAC21923 "sigma(54) modulation protein, putative [Haemophilus influenzae Rd KW20]" 97.27 107 100.00 100.00 1.89e-71 GB AAX87316 "conserved hypothetical protein [Haemophilus influenzae 86-028NP]" 97.27 107 100.00 100.00 1.89e-71 GB ABQ97834 "hypothetical protein CGSHiEE_01780 [Haemophilus influenzae PittEE]" 97.27 107 98.13 100.00 2.51e-70 GB ABQ99769 "hypothetical protein CGSHiGG_03980 [Haemophilus influenzae PittGG]" 97.27 107 99.07 100.00 5.05e-71 GB ADO80311 "Ribosome binding protein Y [Haemophilus influenzae R2866]" 97.27 107 100.00 100.00 1.89e-71 REF NP_438426 "hypothetical protein HI0257 [Haemophilus influenzae Rd KW20]" 97.27 107 100.00 100.00 1.89e-71 REF WP_005648863 "ribosome-associated inhibitor A [Haemophilus influenzae]" 97.27 107 98.13 100.00 2.51e-70 REF WP_005653397 "MULTISPECIES: ribosome-associated inhibitor A [Haemophilus]" 97.27 107 100.00 100.00 1.89e-71 REF WP_005660635 "ribosome-associated inhibitor A [Haemophilus influenzae]" 96.36 107 98.11 100.00 1.68e-69 REF WP_005689430 "ribosome-associated inhibitor A [Haemophilus influenzae]" 96.36 107 99.06 100.00 7.64e-70 SP P71346 "RecName: Full=Ribosome-associated inhibitor A [Haemophilus influenzae Rd KW20]" 97.27 107 100.00 100.00 1.89e-71 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 $HI0257 'Haemophilus influenzae' 727 Eubacteria . Haemophilus influenzae KW20 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 _Details $HI0257 'recombinant technology' . . . . . 'Overexperessed in E.Coli using the pet15b vector from Novagen.' 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 $HI0257 1.3 mM 0.2 1.5 '[U-13C; U-15N]' NaPO4 50 mM . . . NaCl 100 mM . . . dtt 3 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.0 loop_ _Task refinement stop_ _Details ; BRUNGER, ADAMS, CLORE, DELANO, GROS,GROSSE-KUNSTLEVE, JIANG, KUSZEWSKI,NILGES, PANNU, READ, RICE, SIMONSON,WARREN Crystallography & NMR System Acta Cryst. (1998) D54, 905-921 Copyright IUCr. ; save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details ; Delaglio; J.Biomol.NMR (1995) 6:277-293. ; save_ save_Sparky _Saveframe_category software _Name Sparky _Version . loop_ _Task 'data analysis' stop_ _Details 'Goddard and Kneller, University of California, San Francisco.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _Sample_label . save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HBHACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHACONH' _Sample_label . save_ save_3D_15N_TOCSY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _Sample_label . save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_2D_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_2D_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _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 CBCACONH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHACONH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . n/a temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis H2O H 1 protons ppm 4.77 internal direct . internal parallel stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details ; Although many atoms are labeled specifically (i.e. HB1, HB2) they may not be stereospecifically correct. Many were left ambiguous in the actual structure determination. ; loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' HNHA '3D HNCACB' '3D CBCACONH' '3D HNCO' '3D HBHACONH' '3D 15N TOCSY-HSQC' '3D HCCH-TOCSY' '2D TOCSY' '2D NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name HI0257 _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 4 MET C C 175.819 0.000 1 2 1 4 MET CA C 55.162 0.000 1 3 1 4 MET CB C 33.964 0.000 1 4 1 4 MET CG C 32.565 0.000 1 5 1 4 MET HA H 4.534 0.024 1 6 1 4 MET HB2 H 2.043 0.009 2 7 1 4 MET HB3 H 1.946 0.024 2 8 1 4 MET HG2 H 2.465 0.005 2 9 1 4 MET HG3 H 2.413 0.003 2 10 1 4 MET H H 8.367 0.003 1 11 1 4 MET N N 120.219 0.021 1 12 2 5 THR C C 173.386 0.000 1 13 2 5 THR CA C 62.131 0.000 1 14 2 5 THR CB C 70.315 0.000 1 15 2 5 THR CG2 C 21.964 0.000 1 16 2 5 THR HA H 4.284 0.008 1 17 2 5 THR HB H 4.106 0.020 1 18 2 5 THR HG2 H 1.190 0.024 1 19 2 5 THR H H 8.163 0.000 1 20 2 5 THR N N 118.436 0.000 1 21 3 6 LEU C C 175.046 0.000 1 22 3 6 LEU CA C 55.497 0.024 1 23 3 6 LEU CB C 43.566 0.070 1 24 3 6 LEU CD1 C 27.548 0.000 1 25 3 6 LEU CD2 C 25.789 0.018 1 26 3 6 LEU HA H 4.470 0.022 1 27 3 6 LEU HB2 H 1.724 0.018 2 28 3 6 LEU HB3 H 1.496 0.021 2 29 3 6 LEU HD1 H 0.795 0.002 2 30 3 6 LEU HD2 H 0.841 0.022 2 31 3 6 LEU H H 8.367 0.008 1 32 3 6 LEU N N 124.921 0.019 1 33 4 7 ASN C C 173.893 0.000 1 34 4 7 ASN CA C 52.735 0.000 1 35 4 7 ASN CB C 40.368 0.036 1 36 4 7 ASN HA H 5.018 0.014 1 37 4 7 ASN HB2 H 2.593 0.025 2 38 4 7 ASN HB3 H 2.532 0.015 2 39 4 7 ASN H H 8.288 0.008 1 40 4 7 ASN N N 125.712 0.050 1 41 5 8 ILE C C 175.553 0.000 1 42 5 8 ILE CA C 60.537 0.040 1 43 5 8 ILE CB C 41.217 0.000 1 44 5 8 ILE CD1 C 16.338 0.000 1 45 5 8 ILE CG2 C 19.225 0.034 1 46 5 8 ILE HA H 5.291 0.027 1 47 5 8 ILE HB H 1.707 0.029 1 48 5 8 ILE HD1 H 0.835 0.004 1 49 5 8 ILE HG12 H 1.646 0.000 2 50 5 8 ILE HG2 H 0.824 0.016 1 51 5 8 ILE H H 8.497 0.007 1 52 5 8 ILE N N 125.308 0.056 1 53 6 9 THR CA C 61.318 0.000 1 54 6 9 THR CB C 71.896 0.075 1 55 6 9 THR CG2 C 22.400 0.023 1 56 6 9 THR HA H 4.786 0.012 1 57 6 9 THR HB H 4.245 0.024 1 58 6 9 THR HG2 H 1.314 0.024 1 59 6 9 THR H H 9.029 0.007 1 60 6 9 THR N N 122.209 0.049 1 61 7 10 SER C C 174.603 0.000 1 62 7 10 SER CA C 57.379 0.088 1 63 7 10 SER CB C 66.366 0.066 1 64 7 10 SER HA H 5.190 0.015 1 65 7 10 SER HB2 H 3.960 0.019 2 66 7 10 SER HB3 H 3.764 0.017 2 67 8 11 LYS C C 176.795 0.000 1 68 8 11 LYS CA C 57.967 0.059 1 69 8 11 LYS CB C 33.865 0.000 1 70 8 11 LYS CD C 29.891 0.006 1 71 8 11 LYS CG C 26.027 0.037 1 72 8 11 LYS HA H 4.501 0.020 1 73 8 11 LYS HB2 H 1.864 0.011 2 74 8 11 LYS HD2 H 1.693 0.027 2 75 8 11 LYS HE2 H 2.970 0.007 2 76 8 11 LYS HG2 H 1.489 0.007 2 77 8 11 LYS HG3 H 1.440 0.006 2 78 8 11 LYS H H 8.896 0.010 1 79 8 11 LYS N N 124.524 0.143 1 80 9 12 GLN C C 174.565 0.000 1 81 9 12 GLN CA C 57.324 0.099 1 82 9 12 GLN CB C 29.714 0.000 1 83 9 12 GLN CG C 35.500 0.023 1 84 9 12 GLN HA H 4.296 0.014 1 85 9 12 GLN HB2 H 2.343 0.012 2 86 9 12 GLN HG2 H 2.364 0.009 2 87 9 12 GLN H H 8.618 0.011 1 88 9 12 GLN N N 116.206 0.108 1 89 10 13 MET C C 174.679 0.000 1 90 10 13 MET CA C 56.133 0.000 1 91 10 13 MET CB C 35.579 0.020 1 92 10 13 MET CE C 17.964 0.000 1 93 10 13 MET CG C 31.794 0.077 1 94 10 13 MET HA H 4.594 0.012 1 95 10 13 MET HB2 H 2.140 0.011 2 96 10 13 MET HB3 H 2.074 0.005 2 97 10 13 MET HE H 2.031 0.011 1 98 10 13 MET HG2 H 2.566 0.009 2 99 10 13 MET HG3 H 2.331 0.030 2 100 10 13 MET H H 7.754 0.006 1 101 10 13 MET N N 115.582 0.092 1 102 11 14 ASP C C 175.731 0.000 1 103 11 14 ASP CA C 54.069 0.000 1 104 11 14 ASP CB C 42.128 0.048 1 105 11 14 ASP HA H 4.688 0.035 1 106 11 14 ASP HB2 H 2.573 0.003 2 107 11 14 ASP HB3 H 2.512 0.040 2 108 11 14 ASP H H 8.507 0.009 1 109 11 14 ASP N N 122.759 0.086 1 110 12 15 ILE C C 175.731 0.000 1 111 12 15 ILE CA C 59.841 0.000 1 112 12 15 ILE CB C 36.217 0.000 1 113 12 15 ILE CD1 C 12.752 0.004 1 114 12 15 ILE CG2 C 18.601 0.000 1 115 12 15 ILE HA H 4.010 0.022 1 116 12 15 ILE HB H 2.053 0.007 1 117 12 15 ILE HD1 H 0.729 0.011 1 118 12 15 ILE HG12 H 1.500 0.031 2 119 12 15 ILE HG13 H 1.365 0.021 2 120 12 15 ILE HG2 H 0.824 0.023 1 121 12 15 ILE H H 8.693 0.011 1 122 12 15 ILE N N 123.643 0.002 1 123 13 16 THR CA C 60.068 0.000 1 124 13 16 THR CB C 69.228 0.023 1 125 13 16 THR CG2 C 22.297 0.000 1 126 13 16 THR HA H 4.723 0.015 1 127 13 16 THR HB H 4.690 0.004 1 128 13 16 THR HG2 H 1.313 0.022 1 129 13 16 THR H H 6.881 0.008 1 130 13 16 THR N N 118.676 0.079 1 131 14 17 PRO C C 178.532 0.000 1 132 14 17 PRO CA C 66.219 0.098 1 133 14 17 PRO CB C 32.403 0.000 1 134 14 17 PRO CD C 51.098 0.097 1 135 14 17 PRO HA H 4.262 0.021 1 136 14 17 PRO HB2 H 2.423 0.018 2 137 14 17 PRO HB3 H 1.977 0.013 2 138 14 17 PRO HD2 H 3.938 0.023 2 139 14 17 PRO HG2 H 2.249 0.021 2 140 15 18 ALA C C 181.117 0.000 1 141 15 18 ALA CA C 55.580 0.050 1 142 15 18 ALA CB C 18.963 0.000 1 143 15 18 ALA HA H 4.171 0.015 1 144 15 18 ALA HB H 1.410 0.017 1 145 15 18 ALA H H 7.912 0.010 1 146 15 18 ALA N N 117.835 0.015 1 147 16 19 ILE C C 177.442 0.000 1 148 16 19 ILE CA C 65.522 0.006 1 149 16 19 ILE CB C 38.743 0.056 1 150 16 19 ILE CD1 C 14.126 0.032 1 151 16 19 ILE CG1 C 29.624 0.017 1 152 16 19 ILE CG2 C 17.932 0.002 1 153 16 19 ILE HA H 3.680 0.013 1 154 16 19 ILE HB H 1.835 0.017 1 155 16 19 ILE HD1 H 0.783 0.012 1 156 16 19 ILE HG12 H 1.652 0.017 2 157 16 19 ILE HG13 H 0.843 0.010 2 158 16 19 ILE HG2 H 0.748 0.017 1 159 16 19 ILE H H 7.535 0.009 1 160 16 19 ILE N N 120.288 0.030 1 161 17 20 ARG C C 177.923 0.000 1 162 17 20 ARG CA C 61.148 0.015 1 163 17 20 ARG CB C 29.308 0.000 1 164 17 20 ARG CD C 43.556 0.070 1 165 17 20 ARG CG C 28.300 0.004 1 166 17 20 ARG HA H 3.652 0.019 1 167 17 20 ARG HB2 H 1.900 0.038 1 168 17 20 ARG HB3 H 1.712 0.029 1 169 17 20 ARG HD2 H 3.342 0.028 2 170 17 20 ARG HD3 H 3.141 0.026 2 171 17 20 ARG HG2 H 1.507 0.019 2 172 17 20 ARG H H 7.941 0.007 1 173 17 20 ARG N N 120.454 0.021 1 174 18 21 GLU C C 179.089 0.000 1 175 18 21 GLU CA C 59.870 0.024 1 176 18 21 GLU CB C 29.714 0.000 1 177 18 21 GLU HA H 3.987 0.024 1 178 18 21 GLU HB2 H 2.067 0.029 2 179 18 21 GLU H H 8.644 0.006 1 180 18 21 GLU N N 118.013 0.112 1 181 19 22 HIS C C 178.227 0.000 1 182 19 22 HIS CA C 60.507 0.002 1 183 19 22 HIS CB C 31.095 0.041 1 184 19 22 HIS HA H 4.298 0.004 1 185 19 22 HIS HB2 H 3.265 0.011 2 186 19 22 HIS HD2 H 6.525 0.022 1 187 19 22 HIS HE1 H 7.792 0.020 1 188 19 22 HIS H H 7.876 0.005 1 189 19 22 HIS N N 119.871 0.138 1 190 20 23 LEU C C 178.848 0.000 1 191 20 23 LEU CA C 58.757 0.070 1 192 20 23 LEU CB C 41.904 0.000 1 193 20 23 LEU CD1 C 26.244 0.000 1 194 20 23 LEU CD2 C 23.631 0.000 1 195 20 23 LEU CG C 27.632 0.000 1 196 20 23 LEU HA H 3.664 0.011 1 197 20 23 LEU HB2 H 1.764 0.018 2 198 20 23 LEU HB3 H 0.874 0.017 2 199 20 23 LEU HD1 H 0.459 0.021 2 200 20 23 LEU HD2 H 0.118 0.018 2 201 20 23 LEU HG H 1.568 0.029 2 202 20 23 LEU H H 8.161 0.007 1 203 20 23 LEU N N 118.845 0.014 1 204 21 24 GLU C C 179.951 0.000 1 205 21 24 GLU CA C 61.216 0.000 1 206 21 24 GLU CB C 30.069 0.000 1 207 21 24 GLU CG C 38.067 0.074 1 208 21 24 GLU HA H 3.768 0.010 1 209 21 24 GLU HB2 H 2.150 0.009 2 210 21 24 GLU HB3 H 1.974 0.023 2 211 21 24 GLU HG2 H 2.510 0.034 2 212 21 24 GLU HG3 H 2.156 0.012 2 213 21 24 GLU H H 8.546 0.014 1 214 21 24 GLU N N 119.485 0.066 1 215 22 25 GLU C C 179.685 0.000 1 216 22 25 GLU CA C 59.909 0.000 1 217 22 25 GLU CB C 29.939 0.000 1 218 22 25 GLU CG C 36.765 0.008 1 219 22 25 GLU HA H 4.079 0.012 1 220 22 25 GLU HB2 H 2.100 0.017 2 221 22 25 GLU HG2 H 2.139 0.000 2 222 22 25 GLU HG3 H 2.388 0.000 2 223 22 25 GLU H H 8.060 0.011 1 224 22 25 GLU N N 121.211 0.127 1 225 23 26 ARG C C 179.140 0.000 1 226 23 26 ARG CA C 57.856 0.055 1 227 23 26 ARG CB C 28.689 0.039 1 228 23 26 ARG CD C 42.904 0.092 1 229 23 26 ARG CG C 27.334 0.048 1 230 23 26 ARG HA H 3.981 0.035 1 231 23 26 ARG HB2 H 1.907 0.031 2 232 23 26 ARG HB3 H 1.701 0.029 2 233 23 26 ARG HD2 H 3.126 0.023 2 234 23 26 ARG HG2 H 1.918 0.020 2 235 23 26 ARG HG3 H 1.531 0.019 2 236 23 26 ARG H H 7.913 0.012 1 237 23 26 ARG N N 119.224 0.054 1 238 24 27 LEU C C 179.609 0.000 1 239 24 27 LEU CA C 58.007 0.037 1 240 24 27 LEU CB C 41.925 0.042 1 241 24 27 LEU CD1 C 25.950 0.010 1 242 24 27 LEU HA H 3.986 0.017 1 243 24 27 LEU HB2 H 1.743 0.019 2 244 24 27 LEU HB3 H 1.683 0.026 2 245 24 27 LEU HD1 H 0.932 0.031 2 246 24 27 LEU HG H 1.788 0.000 2 247 24 27 LEU H H 8.250 0.009 1 248 24 27 LEU N N 119.644 0.027 1 249 25 28 ALA C C 181.117 0.000 1 250 25 28 ALA CA C 55.567 0.000 1 251 25 28 ALA CB C 18.176 0.000 1 252 25 28 ALA HA H 4.092 0.012 1 253 25 28 ALA HB H 1.512 0.021 1 254 25 28 ALA H H 7.920 0.007 1 255 25 28 ALA N N 122.335 0.071 1 256 26 29 LYS C C 179.444 0.000 1 257 26 29 LYS CA C 58.997 0.000 1 258 26 29 LYS CB C 33.074 0.000 1 259 26 29 LYS HA H 4.045 0.018 1 260 26 29 LYS HB2 H 1.983 0.017 2 261 26 29 LYS HD2 H 1.625 0.018 2 262 26 29 LYS HG2 H 1.492 0.011 2 263 26 29 LYS H H 7.624 0.005 1 264 26 29 LYS N N 119.796 0.034 1 265 27 30 LEU C C 178.924 0.000 1 266 27 30 LEU CA C 57.268 0.000 1 267 27 30 LEU CB C 41.699 0.074 1 268 27 30 LEU CD1 C 26.038 0.000 1 269 27 30 LEU CD2 C 24.681 0.100 1 270 27 30 LEU HA H 4.279 0.025 1 271 27 30 LEU HB2 H 1.947 0.014 2 272 27 30 LEU HB3 H 1.554 0.010 2 273 27 30 LEU HD1 H 0.816 0.016 2 274 27 30 LEU HD2 H 0.789 0.015 2 275 27 30 LEU H H 7.742 0.010 1 276 27 30 LEU N N 120.039 0.111 1 277 28 31 GLY C C 175.756 0.000 1 278 28 31 GLY CA C 46.873 0.055 1 279 28 31 GLY HA2 H 4.139 0.033 2 280 28 31 GLY HA3 H 3.934 0.016 2 281 28 31 GLY H H 8.144 0.009 1 282 28 31 GLY N N 107.269 0.256 1 283 29 32 LYS C C 177.163 0.000 1 284 29 32 LYS CA C 58.248 0.046 1 285 29 32 LYS CB C 31.987 0.000 1 286 29 32 LYS CD C 29.632 0.000 1 287 29 32 LYS CE C 42.501 0.000 1 288 29 32 LYS CG C 24.730 0.097 1 289 29 32 LYS HA H 4.117 0.024 1 290 29 32 LYS HB2 H 1.718 0.010 2 291 29 32 LYS HB3 H 1.629 0.011 2 292 29 32 LYS HD2 H 1.448 0.007 2 293 29 32 LYS HE2 H 2.688 0.016 2 294 29 32 LYS HG2 H 1.218 0.020 2 295 29 32 LYS HG3 H 0.985 0.025 2 296 29 32 LYS H H 7.588 0.008 1 297 29 32 LYS N N 120.631 0.143 1 298 30 33 TRP C C 176.314 0.000 1 299 30 33 TRP CA C 58.955 0.046 1 300 30 33 TRP CB C 29.857 0.036 1 301 30 33 TRP HA H 4.493 0.013 1 302 30 33 TRP HB2 H 3.447 0.025 1 303 30 33 TRP HB3 H 3.298 0.013 1 304 30 33 TRP HD1 H 7.419 0.032 1 305 30 33 TRP HE1 H 10.453 0.002 1 306 30 33 TRP HE3 H 7.675 0.034 1 307 30 33 TRP HH2 H 7.203 0.030 1 308 30 33 TRP H H 7.605 0.008 1 309 30 33 TRP HZ2 H 7.539 0.047 1 310 30 33 TRP HZ3 H 7.091 0.081 1 311 30 33 TRP N N 119.384 0.091 1 312 30 33 TRP NE1 N 129.569 0.013 1 313 31 34 GLN C C 175.173 0.000 1 314 31 34 GLN CA C 56.144 0.000 1 315 31 34 GLN CB C 27.486 0.000 1 316 31 34 GLN CG C 34.479 0.000 1 317 31 34 GLN HA H 4.062 0.022 1 318 31 34 GLN HB2 H 2.259 0.019 2 319 31 34 GLN HE21 H 7.441 0.001 2 320 31 34 GLN HE22 H 6.835 0.002 2 321 31 34 GLN HG2 H 2.430 0.003 1 322 31 34 GLN HG3 H 2.327 0.006 1 323 31 34 GLN H H 8.162 0.009 1 324 31 34 GLN N N 115.387 0.154 1 325 31 34 GLN NE2 N 112.501 0.018 1 326 32 35 THR C C 173.754 0.000 1 327 32 35 THR CA C 62.507 0.050 1 328 32 35 THR CB C 70.845 0.000 1 329 32 35 THR CG2 C 21.702 0.062 1 330 32 35 THR HA H 4.440 0.028 1 331 32 35 THR HB H 3.884 0.016 1 332 32 35 THR HG2 H 1.236 0.013 1 333 32 35 THR H H 8.109 0.005 1 334 32 35 THR N N 115.923 0.157 1 335 33 36 GLN C C 173.462 0.000 1 336 33 36 GLN CA C 57.930 0.000 1 337 33 36 GLN CB C 29.204 0.000 1 338 33 36 GLN CG C 34.303 0.074 1 339 33 36 GLN HA H 4.076 0.017 1 340 33 36 GLN HB2 H 1.926 0.014 2 341 33 36 GLN HE21 H 7.495 0.002 2 342 33 36 GLN HE22 H 6.828 0.004 2 343 33 36 GLN HG2 H 2.378 0.017 2 344 33 36 GLN HG3 H 2.210 0.007 2 345 33 36 GLN H H 8.558 0.006 1 346 33 36 GLN N N 127.581 0.027 1 347 33 36 GLN NE2 N 112.083 0.013 1 348 34 37 LEU C C 176.821 0.000 1 349 34 37 LEU CA C 53.633 0.000 1 350 34 37 LEU CB C 41.936 0.047 1 351 34 37 LEU CD1 C 23.323 0.012 1 352 34 37 LEU CD2 C 27.360 0.085 1 353 34 37 LEU HA H 4.868 0.029 1 354 34 37 LEU HB2 H 1.943 0.011 2 355 34 37 LEU HB3 H 1.064 0.015 2 356 34 37 LEU HD1 H 0.740 0.017 2 357 34 37 LEU HD2 H 0.877 0.025 2 358 34 37 LEU HG H 1.342 0.000 1 359 34 37 LEU H H 7.994 0.008 1 360 34 37 LEU N N 122.804 0.065 1 361 35 38 ILE C C 175.351 0.000 1 362 35 38 ILE CA C 61.766 0.003 1 363 35 38 ILE CB C 40.498 0.094 1 364 35 38 ILE CD1 C 13.667 0.079 1 365 35 38 ILE CG1 C 27.993 0.027 1 366 35 38 ILE CG2 C 17.964 0.000 1 367 35 38 ILE HA H 4.091 0.006 1 368 35 38 ILE HB H 1.373 0.021 1 369 35 38 ILE HD1 H 0.625 0.017 1 370 35 38 ILE HG12 H 0.852 0.004 2 371 35 38 ILE HG13 H 1.332 0.009 2 372 35 38 ILE HG2 H 0.882 0.027 1 373 35 38 ILE H H 9.131 0.007 1 374 35 38 ILE N N 125.299 0.073 1 375 36 39 SER CA C 58.033 0.019 1 376 36 39 SER CB C 63.719 0.089 1 377 36 39 SER HA H 4.151 0.026 1 378 36 39 SER HB2 H 4.025 0.017 2 379 36 39 SER HB3 H 3.780 0.025 2 380 36 39 SER H H 8.980 0.008 1 381 36 39 SER N N 119.899 0.116 1 382 37 40 PRO C C 176.859 0.000 1 383 37 40 PRO CA C 64.259 0.000 1 384 37 40 PRO CB C 32.992 0.000 1 385 37 40 PRO CD C 51.101 0.039 1 386 37 40 PRO CG C 29.207 0.040 1 387 37 40 PRO HA H 4.758 0.028 1 388 37 40 PRO HB2 H 1.971 0.006 1 389 37 40 PRO HB3 H 1.909 0.003 1 390 37 40 PRO HD2 H 3.776 0.007 1 391 37 40 PRO HD3 H 3.480 0.005 1 392 37 40 PRO HG2 H 2.331 0.024 2 393 37 40 PRO HG3 H 1.936 0.016 2 394 38 41 HIS C C 174.197 0.000 1 395 38 41 HIS CA C 54.862 0.011 1 396 38 41 HIS CB C 33.672 0.037 1 397 38 41 HIS HA H 5.777 0.026 1 398 38 41 HIS HB2 H 3.215 0.024 2 399 38 41 HIS HB3 H 3.051 0.018 2 400 38 41 HIS HD2 H 6.919 0.006 1 401 38 41 HIS HE1 H 7.727 0.000 1 402 38 41 HIS H H 8.947 0.006 1 403 38 41 HIS N N 125.096 0.087 1 404 39 42 PHE C C 173.956 0.000 1 405 39 42 PHE CA C 56.989 0.033 1 406 39 42 PHE CB C 44.159 0.055 1 407 39 42 PHE HA H 5.452 0.020 1 408 39 42 PHE HB2 H 2.910 0.033 2 409 39 42 PHE HB3 H 2.668 0.014 2 410 39 42 PHE HD1 H 7.068 0.067 3 411 39 42 PHE HE1 H 7.006 0.028 3 412 39 42 PHE H H 8.939 0.007 1 413 39 42 PHE HZ H 6.865 0.062 1 414 39 42 PHE N N 124.936 0.054 1 415 40 43 VAL C C 175.680 0.000 1 416 40 43 VAL CA C 61.759 0.000 1 417 40 43 VAL CB C 34.218 0.000 1 418 40 43 VAL CG1 C 21.902 0.095 1 419 40 43 VAL CG2 C 21.276 0.055 1 420 40 43 VAL HA H 4.842 0.033 1 421 40 43 VAL HB H 1.915 0.025 1 422 40 43 VAL HG1 H 0.824 0.011 2 423 40 43 VAL HG2 H 0.641 0.011 2 424 40 43 VAL H H 9.266 0.007 1 425 40 43 VAL N N 123.442 0.020 1 426 41 44 LEU C C 174.945 0.000 1 427 41 44 LEU CA C 54.289 0.001 1 428 41 44 LEU CB C 44.282 0.056 1 429 41 44 LEU CD1 C 26.296 0.048 1 430 41 44 LEU CG C 29.373 0.000 1 431 41 44 LEU HA H 5.202 0.017 1 432 41 44 LEU HB2 H 1.665 0.012 2 433 41 44 LEU HD1 H 0.863 0.014 2 434 41 44 LEU HG H 1.756 0.013 2 435 41 44 LEU H H 8.855 0.007 1 436 41 44 LEU N N 128.869 0.059 1 437 42 45 ASN C C 174.286 0.000 1 438 42 45 ASN CA C 52.444 0.038 1 439 42 45 ASN CB C 42.699 0.000 1 440 42 45 ASN HA H 5.394 0.012 1 441 42 45 ASN HB2 H 2.713 0.032 2 442 42 45 ASN HB3 H 2.563 0.014 2 443 42 45 ASN HD21 H 7.289 0.003 2 444 42 45 ASN HD22 H 6.657 0.003 2 445 42 45 ASN H H 9.156 0.010 1 446 42 45 ASN N N 121.102 0.061 1 447 42 45 ASN ND2 N 113.354 0.029 1 448 43 46 LYS C C 175.553 0.000 1 449 43 46 LYS CA C 56.455 0.041 1 450 43 46 LYS CB C 33.881 0.028 1 451 43 46 LYS CE C 42.464 0.073 1 452 43 46 LYS CG C 24.952 0.029 1 453 43 46 LYS HA H 4.537 0.026 1 454 43 46 LYS HB2 H 1.856 0.013 2 455 43 46 LYS HB3 H 1.606 0.014 2 456 43 46 LYS HD2 H 1.554 0.000 2 457 43 46 LYS HE2 H 2.876 0.005 2 458 43 46 LYS HG2 H 1.277 0.011 2 459 43 46 LYS HG3 H 1.180 0.021 2 460 43 46 LYS H H 8.326 0.006 1 461 43 46 LYS N N 124.497 0.124 1 462 44 47 VAL CA C 59.443 0.000 1 463 44 47 VAL CB C 32.369 0.000 1 464 44 47 VAL CG1 C 22.970 0.013 1 465 44 47 VAL CG2 C 19.283 0.018 1 466 44 47 VAL HA H 4.754 0.021 1 467 44 47 VAL HB H 2.348 0.016 1 468 44 47 VAL HG1 H 0.782 0.018 2 469 44 47 VAL HG2 H 0.408 0.022 2 470 44 47 VAL H H 7.946 0.006 1 471 44 47 VAL N N 121.356 0.076 1 472 45 48 PRO C C 177.657 0.000 1 473 45 48 PRO CA C 66.749 0.006 1 474 45 48 PRO CB C 31.924 0.029 1 475 45 48 PRO CD C 51.137 0.023 1 476 45 48 PRO CG C 28.609 0.035 1 477 45 48 PRO HA H 4.127 0.023 1 478 45 48 PRO HB2 H 2.302 0.046 2 479 45 48 PRO HB3 H 1.744 0.018 2 480 45 48 PRO HD2 H 3.728 0.021 2 481 45 48 PRO HD3 H 3.595 0.010 2 482 45 48 PRO HG2 H 2.057 0.057 2 483 45 48 PRO HG3 H 1.881 0.064 2 484 46 49 ASN C C 174.565 0.000 1 485 46 49 ASN CA C 53.753 0.000 1 486 46 49 ASN CB C 38.270 0.039 1 487 46 49 ASN HA H 4.619 0.022 1 488 46 49 ASN HB2 H 2.857 0.007 2 489 46 49 ASN HB3 H 2.789 0.007 2 490 46 49 ASN H H 8.313 0.007 1 491 46 49 ASN N N 112.842 0.117 1 492 47 50 GLY C C 171.194 0.000 1 493 47 50 GLY CA C 47.145 0.091 1 494 47 50 GLY HA2 H 4.390 0.014 2 495 47 50 GLY HA3 H 3.462 0.013 2 496 47 50 GLY H H 7.606 0.005 1 497 47 50 GLY N N 107.533 0.126 1 498 48 51 PHE C C 173.931 0.000 1 499 48 51 PHE CA C 57.358 0.047 1 500 48 51 PHE CB C 44.260 0.025 1 501 48 51 PHE HA H 5.215 0.013 1 502 48 51 PHE HB2 H 2.944 0.019 2 503 48 51 PHE HB3 H 2.504 0.021 2 504 48 51 PHE HD1 H 7.021 0.013 3 505 48 51 PHE HE1 H 7.444 0.029 3 506 48 51 PHE H H 9.082 0.007 1 507 48 51 PHE HZ H 7.364 0.000 1 508 48 51 PHE N N 123.454 0.016 1 509 49 52 SER C C 173.500 0.000 1 510 49 52 SER CA C 56.763 0.031 1 511 49 52 SER CB C 65.974 0.044 1 512 49 52 SER HA H 5.533 0.027 1 513 49 52 SER HB2 H 3.758 0.022 2 514 49 52 SER HB3 H 3.673 0.016 2 515 49 52 SER H H 9.298 0.010 1 516 49 52 SER N N 117.367 0.064 1 517 50 53 VAL C C 173.931 0.000 1 518 50 53 VAL CA C 60.760 0.017 1 519 50 53 VAL CB C 35.550 0.025 1 520 50 53 VAL CG1 C 22.021 0.054 1 521 50 53 VAL CG2 C 22.327 0.041 1 522 50 53 VAL HA H 5.187 0.012 1 523 50 53 VAL HB H 1.863 0.008 1 524 50 53 VAL HG1 H 0.958 0.012 2 525 50 53 VAL HG2 H 0.989 0.021 2 526 50 53 VAL H H 9.014 0.016 1 527 50 53 VAL N N 125.472 0.029 1 528 51 54 GLU C C 174.717 0.000 1 529 51 54 GLU CA C 54.890 0.007 1 530 51 54 GLU CB C 33.862 0.070 1 531 51 54 GLU CG C 37.376 0.009 1 532 51 54 GLU HA H 5.061 0.025 1 533 51 54 GLU HB2 H 1.978 0.027 2 534 51 54 GLU HB3 H 1.864 0.020 2 535 51 54 GLU HG2 H 2.045 0.009 2 536 51 54 GLU H H 8.913 0.008 1 537 51 54 GLU N N 125.952 0.040 1 538 52 55 ALA C C 175.579 0.000 1 539 52 55 ALA CA C 50.651 0.046 1 540 52 55 ALA CB C 24.160 0.000 1 541 52 55 ALA HA H 5.063 0.024 1 542 52 55 ALA HB H 0.661 0.015 1 543 52 55 ALA H H 9.172 0.013 1 544 52 55 ALA N N 126.111 0.010 1 545 53 56 SER C C 173.995 0.000 1 546 53 56 SER CA C 56.759 0.022 1 547 53 56 SER CB C 65.257 0.020 1 548 53 56 SER HA H 5.266 0.024 1 549 53 56 SER HB2 H 3.711 0.027 2 550 53 56 SER H H 8.401 0.010 1 551 53 56 SER N N 116.007 0.126 1 552 54 57 ILE C C 174.539 0.000 1 553 54 57 ILE CA C 61.760 0.003 1 554 54 57 ILE CB C 42.924 0.000 1 555 54 57 ILE CD1 C 15.627 0.047 1 556 54 57 ILE CG2 C 19.292 0.031 1 557 54 57 ILE HA H 4.214 0.023 1 558 54 57 ILE HB H 1.692 0.027 1 559 54 57 ILE HD1 H 0.743 0.017 1 560 54 57 ILE HG2 H 0.993 0.030 1 561 54 57 ILE HG12 H 1.354 0.020 2 562 54 57 ILE H H 8.738 0.008 1 563 54 57 ILE N N 124.718 0.068 1 564 55 58 GLY C C 172.981 0.000 1 565 55 58 GLY CA C 45.850 0.030 1 566 55 58 GLY HA2 H 4.703 0.012 2 567 55 58 GLY HA3 H 3.688 0.022 2 568 55 58 GLY H H 8.672 0.009 1 569 55 58 GLY N N 116.329 0.055 1 570 56 59 THR CA C 60.797 0.009 1 571 56 59 THR CB C 71.926 0.000 1 572 56 59 THR CG2 C 21.684 0.062 1 573 56 59 THR HA H 5.485 0.024 1 574 56 59 THR HB H 4.438 0.021 1 575 56 59 THR HG1 H 5.841 0.016 1 576 56 59 THR HG2 H 1.242 0.011 1 577 56 59 THR H H 7.562 0.006 1 578 56 59 THR N N 112.469 0.027 1 579 57 60 PRO C C 176.681 0.000 1 580 57 60 PRO CA C 64.884 0.000 1 581 57 60 PRO CB C 33.122 0.063 1 582 57 60 PRO CD C 51.971 0.000 1 583 57 60 PRO CG C 28.537 0.074 1 584 57 60 PRO HA H 4.482 0.007 1 585 57 60 PRO HB2 H 2.545 0.013 2 586 57 60 PRO HB3 H 1.901 0.025 2 587 57 60 PRO HD2 H 4.192 0.014 2 588 57 60 PRO HD3 H 3.824 0.015 2 589 57 60 PRO HG2 H 2.229 0.023 2 590 57 60 PRO HG3 H 1.994 0.025 2 591 58 61 LEU C C 176.187 0.000 1 592 58 61 LEU CA C 54.378 0.000 1 593 58 61 LEU CB C 44.235 0.008 1 594 58 61 LEU CD1 C 22.630 0.000 1 595 58 61 LEU HA H 4.441 0.025 1 596 58 61 LEU HB2 H 1.621 0.004 2 597 58 61 LEU HB3 H 1.548 0.001 2 598 58 61 LEU HD1 H 0.844 0.009 2 599 58 61 LEU H H 7.925 0.008 1 600 58 61 LEU N N 114.988 0.056 1 601 59 62 GLY C C 173.069 0.000 1 602 59 62 GLY CA C 44.394 0.047 1 603 59 62 GLY HA2 H 4.457 0.021 2 604 59 62 GLY HA3 H 3.771 0.010 2 605 59 62 GLY H H 7.252 0.008 1 606 59 62 GLY N N 107.770 0.237 1 607 60 63 ASN C C 174.945 0.000 1 608 60 63 ASN CA C 54.108 0.064 1 609 60 63 ASN CB C 39.892 0.027 1 610 60 63 ASN HA H 5.098 0.009 1 611 60 63 ASN HB2 H 2.727 0.019 2 612 60 63 ASN HB3 H 2.646 0.017 2 613 60 63 ASN HD21 H 7.453 0.002 2 614 60 63 ASN HD22 H 6.850 0.004 2 615 60 63 ASN H H 8.618 0.006 1 616 60 63 ASN N N 119.062 0.043 1 617 60 63 ASN ND2 N 112.876 0.032 1 618 61 64 LEU C C 176.060 0.000 1 619 61 64 LEU CA C 53.647 0.000 1 620 61 64 LEU CB C 43.883 0.073 1 621 61 64 LEU CD1 C 26.701 0.053 1 622 61 64 LEU CD2 C 24.139 0.000 1 623 61 64 LEU HA H 4.659 0.023 1 624 61 64 LEU HB2 H 1.771 0.018 2 625 61 64 LEU HB3 H 1.307 0.024 2 626 61 64 LEU HD1 H 0.710 0.020 2 627 61 64 LEU HD2 H 0.662 0.015 2 628 61 64 LEU HG H 1.490 0.020 1 629 61 64 LEU H H 9.273 0.008 1 630 61 64 LEU N N 122.010 0.049 1 631 62 65 LEU C C 176.010 0.000 1 632 62 65 LEU CA C 54.959 0.000 1 633 62 65 LEU CB C 46.012 0.000 1 634 62 65 LEU CD1 C 24.879 0.023 1 635 62 65 LEU CG C 28.040 0.010 1 636 62 65 LEU HA H 5.299 0.009 1 637 62 65 LEU HB2 H 1.610 0.019 2 638 62 65 LEU HB3 H 1.500 0.021 2 639 62 65 LEU HD1 H 0.872 0.024 2 640 62 65 LEU HG H 1.459 0.024 1 641 62 65 LEU H H 8.443 0.008 1 642 62 65 LEU N N 125.117 0.079 1 643 63 66 ALA C C 174.438 0.000 1 644 63 66 ALA CA C 51.878 0.000 1 645 63 66 ALA CB C 25.823 0.014 1 646 63 66 ALA HA H 4.860 0.020 1 647 63 66 ALA HB H 1.346 0.011 1 648 63 66 ALA H H 8.693 0.006 1 649 63 66 ALA N N 126.757 0.026 1 650 64 67 SER C C 172.765 0.000 1 651 64 67 SER CA C 57.362 0.028 1 652 64 67 SER CB C 67.357 0.019 1 653 64 67 SER HA H 5.655 0.026 1 654 64 67 SER HB2 H 3.839 0.020 2 655 64 67 SER H H 8.386 0.009 1 656 64 67 SER N N 113.719 0.219 1 657 65 68 ALA C C 175.731 0.000 1 658 65 68 ALA CA C 53.444 0.000 1 659 65 68 ALA CB C 24.857 0.010 1 660 65 68 ALA HA H 4.669 0.019 1 661 65 68 ALA HB H 1.505 0.024 1 662 65 68 ALA H H 8.746 0.007 1 663 65 68 ALA N N 121.861 0.066 1 664 66 69 THR C C 174.096 0.000 1 665 66 69 THR CA C 61.146 0.015 1 666 66 69 THR CB C 72.350 0.017 1 667 66 69 THR CG2 C 21.267 0.064 1 668 66 69 THR HA H 5.573 0.020 1 669 66 69 THR HB H 3.901 0.008 1 670 66 69 THR HG2 H 1.036 0.016 1 671 66 69 THR H H 8.518 0.010 1 672 66 69 THR N N 115.364 0.180 1 673 67 70 SER C C 173.703 0.000 1 674 67 70 SER CA C 58.019 0.000 1 675 67 70 SER CB C 64.300 0.023 1 676 67 70 SER HA H 4.747 0.024 1 677 67 70 SER HB2 H 3.919 0.025 1 678 67 70 SER HB3 H 3.657 0.015 1 679 67 70 SER H H 8.757 0.007 1 680 67 70 SER N N 117.950 0.119 1 681 68 71 ASP C C 175.376 0.000 1 682 68 71 ASP CA C 56.364 0.000 1 683 68 71 ASP CB C 40.587 0.000 1 684 68 71 ASP HA H 4.787 0.012 1 685 68 71 ASP HB2 H 2.889 0.015 1 686 68 71 ASP HB3 H 2.790 0.021 1 687 68 71 ASP H H 8.718 0.010 1 688 68 71 ASP N N 122.062 0.078 1 689 69 72 ASP C C 175.832 0.000 1 690 69 72 ASP CA C 53.090 0.000 1 691 69 72 ASP CB C 45.443 0.049 1 692 69 72 ASP HA H 4.975 0.014 1 693 69 72 ASP HB2 H 2.625 0.017 2 694 69 72 ASP H H 7.905 0.010 1 695 69 72 ASP N N 119.669 0.021 1 696 70 73 MET C C 177.163 0.000 1 697 70 73 MET CA C 59.787 0.046 1 698 70 73 MET CB C 33.041 0.050 1 699 70 73 MET CE C 17.964 0.000 1 700 70 73 MET CG C 31.704 0.000 1 701 70 73 MET HA H 3.384 0.012 1 702 70 73 MET HB2 H 1.046 0.012 2 703 70 73 MET HB3 H 0.577 0.036 2 704 70 73 MET HE H 1.476 0.018 1 705 70 73 MET HG2 H 1.723 0.015 2 706 70 73 MET HG3 H 1.639 0.015 2 707 70 73 MET H H 8.565 0.008 1 708 70 73 MET N N 126.955 0.069 1 709 71 74 TYR C C 176.200 0.000 1 710 71 74 TYR CA C 63.009 0.000 1 711 71 74 TYR CB C 36.970 0.016 1 712 71 74 TYR HA H 3.794 0.009 1 713 71 74 TYR HB2 H 2.968 0.015 2 714 71 74 TYR HB3 H 2.765 0.028 2 715 71 74 TYR HD1 H 6.707 0.022 3 716 71 74 TYR HE1 H 6.324 0.008 3 717 71 74 TYR H H 7.829 0.007 1 718 71 74 TYR N N 117.565 0.058 1 719 72 75 LYS C C 179.786 0.000 1 720 72 75 LYS CA C 60.498 0.000 1 721 72 75 LYS CB C 32.998 0.023 1 722 72 75 LYS HA H 4.083 0.018 1 723 72 75 LYS HB2 H 2.112 0.008 2 724 72 75 LYS HB3 H 2.058 0.032 2 725 72 75 LYS HE2 H 2.666 0.000 2 726 72 75 LYS H H 8.090 0.005 1 727 72 75 LYS N N 121.665 0.009 1 728 73 76 ALA C C 179.203 0.000 1 729 73 76 ALA CA C 55.520 0.000 1 730 73 76 ALA CB C 18.007 0.023 1 731 73 76 ALA HA H 4.068 0.014 1 732 73 76 ALA HB H 1.403 0.025 1 733 73 76 ALA H H 7.815 0.007 1 734 73 76 ALA N N 121.751 0.027 1 735 74 77 ILE C C 178.671 0.000 1 736 74 77 ILE CA C 66.788 0.011 1 737 74 77 ILE CB C 38.658 0.000 1 738 74 77 ILE CD1 C 14.800 0.062 1 739 74 77 ILE CG1 C 31.230 0.087 1 740 74 77 ILE CG2 C 18.611 0.082 1 741 74 77 ILE HA H 3.468 0.017 1 742 74 77 ILE HB H 1.948 0.016 1 743 74 77 ILE HD1 H 0.651 0.016 1 744 74 77 ILE HG12 H 2.029 0.017 2 745 74 77 ILE HG13 H 0.711 0.023 2 746 74 77 ILE HG2 H 0.854 0.018 1 747 74 77 ILE H H 8.011 0.006 1 748 74 77 ILE N N 117.564 0.059 1 749 75 78 ASN C C 176.567 0.000 1 750 75 78 ASN CA C 56.717 0.059 1 751 75 78 ASN CB C 38.699 0.026 1 752 75 78 ASN HA H 4.435 0.032 1 753 75 78 ASN HB2 H 3.038 0.027 2 754 75 78 ASN HB3 H 2.949 0.016 2 755 75 78 ASN HD21 H 7.671 0.003 2 756 75 78 ASN HD22 H 6.894 0.003 2 757 75 78 ASN H H 8.357 0.009 1 758 75 78 ASN N N 119.829 0.044 1 759 75 78 ASN ND2 N 111.660 0.033 1 760 76 79 GLU C C 179.533 0.000 1 761 76 79 GLU CA C 59.867 0.065 1 762 76 79 GLU CB C 29.714 0.000 1 763 76 79 GLU CG C 38.050 0.071 1 764 76 79 GLU HA H 4.134 0.021 1 765 76 79 GLU HB2 H 2.150 0.021 2 766 76 79 GLU HB3 H 2.017 0.029 2 767 76 79 GLU HG2 H 2.570 0.003 2 768 76 79 GLU HG3 H 2.155 0.008 2 769 76 79 GLU H H 8.288 0.004 1 770 76 79 GLU N N 121.306 0.095 1 771 77 80 VAL C C 177.137 0.000 1 772 77 80 VAL CA C 67.964 0.000 1 773 77 80 VAL CB C 31.802 0.000 1 774 77 80 VAL CG1 C 26.370 0.005 1 775 77 80 VAL CG2 C 22.630 0.000 1 776 77 80 VAL HA H 3.506 0.022 1 777 77 80 VAL HB H 2.266 0.014 1 778 77 80 VAL HG1 H 0.893 0.018 2 779 77 80 VAL HG2 H 0.954 0.018 2 780 77 80 VAL H H 8.152 0.009 1 781 77 80 VAL N N 120.422 0.010 1 782 78 81 GLU C C 177.898 0.000 1 783 78 81 GLU CA C 61.269 0.000 1 784 78 81 GLU CB C 29.807 0.023 1 785 78 81 GLU HA H 3.849 0.020 1 786 78 81 GLU HB2 H 2.426 0.020 2 787 78 81 GLU HB3 H 1.954 0.037 2 788 78 81 GLU HG2 H 2.249 0.008 2 789 78 81 GLU H H 8.576 0.011 1 790 78 81 GLU N N 121.676 0.015 1 791 79 82 GLU C C 179.913 0.000 1 792 79 82 GLU CA C 60.318 0.000 1 793 79 82 GLU CB C 30.091 0.025 1 794 79 82 GLU HA H 4.022 0.034 1 795 79 82 GLU HB2 H 2.231 0.011 2 796 79 82 GLU HB3 H 2.157 0.012 2 797 79 82 GLU HG2 H 2.455 0.000 2 798 79 82 GLU H H 7.959 0.006 1 799 79 82 GLU N N 119.327 0.109 1 800 80 83 LYS C C 180.268 0.000 1 801 80 83 LYS CA C 61.120 0.032 1 802 80 83 LYS CB C 34.126 0.059 1 803 80 83 LYS HA H 3.997 0.018 1 804 80 83 LYS HB2 H 1.985 0.011 2 805 80 83 LYS HB3 H 1.915 0.016 2 806 80 83 LYS HE2 H 3.104 0.003 2 807 80 83 LYS HG2 H 1.605 0.000 2 808 80 83 LYS HG3 H 1.503 0.000 2 809 80 83 LYS H H 8.040 0.008 1 810 80 83 LYS N N 119.833 0.135 1 811 81 84 LEU C C 177.074 0.000 1 812 81 84 LEU CA C 58.596 0.052 1 813 81 84 LEU CB C 42.919 0.006 1 814 81 84 LEU CD1 C 26.473 0.008 1 815 81 84 LEU CD2 C 24.192 0.025 1 816 81 84 LEU CG C 26.131 0.000 1 817 81 84 LEU HA H 3.863 0.014 1 818 81 84 LEU HB2 H 2.206 0.017 1 819 81 84 LEU HB3 H 1.143 0.013 1 820 81 84 LEU HD1 H 0.654 0.030 2 821 81 84 LEU HD2 H 0.598 0.019 2 822 81 84 LEU HG H 1.957 0.009 1 823 81 84 LEU H H 8.577 0.009 1 824 81 84 LEU N N 120.959 0.020 1 825 82 85 GLU C C 178.633 0.000 1 826 82 85 GLU CA C 61.103 0.024 1 827 82 85 GLU CB C 29.885 0.000 1 828 82 85 GLU CG C 37.236 0.059 1 829 82 85 GLU HA H 3.465 0.024 1 830 82 85 GLU HB2 H 2.221 0.039 2 831 82 85 GLU HB3 H 2.086 0.034 2 832 82 85 GLU HG2 H 2.456 0.023 2 833 82 85 GLU HG3 H 2.097 0.013 2 834 82 85 GLU H H 8.353 0.010 1 835 82 85 GLU N N 119.691 0.201 1 836 83 86 ARG C C 180.116 0.000 1 837 83 86 ARG CB C 30.908 0.000 1 838 83 86 ARG CD C 44.291 0.019 1 839 83 86 ARG CG C 28.653 0.000 1 840 83 86 ARG HA H 4.060 0.032 1 841 83 86 ARG HB2 H 1.958 0.013 2 842 83 86 ARG HD2 H 3.297 0.004 2 843 83 86 ARG HD3 H 3.231 0.023 2 844 83 86 ARG HG2 H 1.915 0.000 2 845 83 86 ARG HG3 H 1.722 0.004 2 846 83 86 ARG H H 7.851 0.006 1 847 83 86 ARG N N 118.569 0.142 1 848 84 87 GLN C C 178.975 0.000 1 849 84 87 GLN CA C 59.331 0.000 1 850 84 87 GLN CB C 29.964 0.000 1 851 84 87 GLN CG C 35.417 0.037 1 852 84 87 GLN HA H 3.996 0.043 1 853 84 87 GLN HB2 H 2.147 0.021 2 854 84 87 GLN HE21 H 7.259 0.009 2 855 84 87 GLN HE22 H 6.997 0.004 2 856 84 87 GLN HG2 H 2.680 0.006 2 857 84 87 GLN HG3 H 2.414 0.019 2 858 84 87 GLN H H 7.863 0.009 1 859 84 87 GLN N N 119.471 0.095 1 860 84 87 GLN NE2 N 109.650 0.024 1 861 85 88 LEU C C 178.696 0.000 1 862 85 88 LEU CA C 58.394 0.045 1 863 85 88 LEU CB C 41.625 0.068 1 864 85 88 LEU CD1 C 24.954 0.030 1 865 85 88 LEU CD2 C 26.132 0.051 1 866 85 88 LEU HA H 3.786 0.007 1 867 85 88 LEU HB2 H 1.262 0.034 2 868 85 88 LEU HB3 H 1.184 0.039 2 869 85 88 LEU HD1 H 0.756 0.014 2 870 85 88 LEU HD2 H 0.729 0.013 2 871 85 88 LEU HG H 1.339 0.009 2 872 85 88 LEU H H 8.405 0.006 1 873 85 88 LEU N N 122.614 0.093 1 874 86 89 ASN C C 177.999 0.000 1 875 86 89 ASN CA C 56.820 0.038 1 876 86 89 ASN CB C 39.320 0.006 1 877 86 89 ASN HA H 4.259 0.011 1 878 86 89 ASN HB2 H 2.767 0.011 2 879 86 89 ASN HD21 H 7.494 0.002 2 880 86 89 ASN HD22 H 6.752 0.003 2 881 86 89 ASN H H 8.134 0.009 1 882 86 89 ASN N N 117.622 0.044 1 883 86 89 ASN ND2 N 112.490 0.002 1 884 87 90 LYS C C 179.393 0.000 1 885 87 90 LYS CA C 59.226 0.054 1 886 87 90 LYS CB C 32.727 0.000 1 887 87 90 LYS CG C 26.298 0.000 1 888 87 90 LYS HA H 4.088 0.011 1 889 87 90 LYS HB2 H 1.963 0.039 2 890 87 90 LYS HE2 H 3.010 0.000 2 891 87 90 LYS HG2 H 1.615 0.014 2 892 87 90 LYS HG3 H 1.473 0.013 2 893 87 90 LYS H H 7.570 0.008 1 894 87 90 LYS N N 119.327 0.109 1 895 88 91 LEU C C 179.203 0.000 1 896 88 91 LEU CA C 57.495 0.017 1 897 88 91 LEU CB C 42.726 0.000 1 898 88 91 LEU CD1 C 22.630 0.000 1 899 88 91 LEU CD2 C 25.889 0.046 1 900 88 91 LEU HA H 4.090 0.013 1 901 88 91 LEU HB2 H 1.860 0.012 2 902 88 91 LEU HB3 H 1.422 0.022 2 903 88 91 LEU HD1 H 0.815 0.025 2 904 88 91 LEU HD2 H 0.625 0.016 2 905 88 91 LEU HG H 1.820 0.020 1 906 88 91 LEU H H 7.857 0.017 1 907 88 91 LEU N N 119.493 0.081 1 908 89 92 GLN C C 177.239 0.000 1 909 89 92 GLN CA C 58.065 0.000 1 910 89 92 GLN CB C 29.490 0.000 1 911 89 92 GLN HA H 4.046 0.027 1 912 89 92 GLN HB2 H 2.070 0.016 2 913 89 92 GLN HE21 H 7.273 0.002 2 914 89 92 GLN HE22 H 6.779 0.003 2 915 89 92 GLN HG2 H 2.421 0.007 2 916 89 92 GLN HG3 H 2.324 0.023 2 917 89 92 GLN H H 7.996 0.016 1 918 89 92 GLN N N 117.377 0.122 1 919 89 92 GLN NE2 N 111.062 0.038 1 920 90 93 HIS C C 178.937 0.000 1 921 90 93 HIS CA C 58.014 0.010 1 922 90 93 HIS CB C 30.518 0.013 1 923 90 93 HIS HA H 4.549 0.022 1 924 90 93 HIS HB2 H 3.270 0.015 2 925 90 93 HIS HB3 H 3.175 0.013 2 926 90 93 HIS HD2 H 7.126 0.003 1 927 90 93 HIS HE1 H 7.980 0.020 1 928 90 93 HIS H H 7.938 0.014 1 929 90 93 HIS N N 118.459 0.257 1 930 91 94 LYS C C 177.328 0.000 1 931 91 94 LYS CA C 57.321 0.000 1 932 91 94 LYS CB C 33.076 0.000 1 933 91 94 LYS HA H 4.272 0.014 1 934 91 94 LYS HB2 H 1.893 0.028 2 935 91 94 LYS HG2 H 1.459 0.000 2 936 91 94 LYS HD2 H 1.69 0.020 2 937 91 94 LYS HE2 H 2.99 0.020 2 938 91 94 LYS H H 8.080 0.011 1 939 91 94 LYS N N 121.671 0.011 1 940 92 95 SER C C 175.351 0.000 1 941 92 95 SER CA C 59.768 0.010 1 942 92 95 SER CB C 64.330 0.010 1 943 92 95 SER HA H 4.399 0.000 1 944 92 95 SER HB2 H 3.967 0.020 2 945 92 95 SER H H 8.217 0.000 1 946 92 95 SER N N 117.136 0.000 1 947 93 96 GLU C C 177.175 0.000 1 948 93 96 GLU CA C 57.800 0.000 1 949 93 96 GLU CB C 31.175 0.013 1 950 93 96 GLU HA H 4.323 0.025 1 951 93 96 GLU HB2 H 2.047 0.046 2 952 93 96 GLU HB3 H 1.874 0.005 2 953 93 96 GLU H H 8.358 0.011 1 954 93 96 GLU N N 122.693 0.115 1 955 94 97 SER C C 174.920 0.000 1 956 94 97 SER CA C 59.615 0.000 1 957 94 97 SER CB C 64.242 0.000 1 958 94 97 SER HA H 4.393 0.008 1 959 94 97 SER HB2 H 3.950 0.010 2 960 94 97 SER HB3 H 3.870 0.020 2 961 94 97 SER H H 8.231 0.016 1 962 94 97 SER N N 116.646 0.200 1 963 95 98 ARG C C 176.745 0.000 1 964 95 98 ARG CA C 56.793 0.000 1 965 95 98 ARG CB C 31.046 0.000 1 966 95 98 ARG HA H 4.385 0.011 1 967 95 98 ARG HB2 H 1.864 0.045 2 968 95 98 ARG HB3 H 1.764 0.049 2 969 95 98 ARG H H 8.213 0.005 1 970 95 98 ARG N N 123.473 0.068 1 971 96 99 ARG C C 176.897 0.000 1 972 96 99 ARG CA C 57.268 0.000 1 973 96 99 ARG CB C 31.545 0.000 1 974 96 99 ARG HA H 4.321 0.012 1 975 96 99 ARG HB2 H 1.881 0.022 2 976 96 99 ARG HB3 H 1.745 0.043 2 977 96 99 ARG H H 8.363 0.009 1 978 96 99 ARG N N 122.702 0.144 1 979 97 100 ALA C C 178.037 0.000 1 980 97 100 ALA CA C 53.753 0.000 1 981 97 100 ALA CB C 19.475 0.008 1 982 97 100 ALA HA H 4.235 0.026 1 983 97 100 ALA HB H 1.411 0.022 1 984 97 100 ALA H H 8.393 0.012 1 985 97 100 ALA N N 125.050 0.186 1 986 98 101 ASP C C 174.235 0.000 1 987 98 101 ASP CA C 54.863 0.031 1 988 98 101 ASP CB C 41.746 0.000 1 989 98 101 ASP HA H 4.558 0.024 1 990 98 101 ASP HB2 H 2.683 0.018 2 991 98 101 ASP H H 8.243 0.004 1 992 98 101 ASP N N 118.404 0.191 1 993 99 102 GLU C C 176.947 0.000 1 994 99 102 GLU CA C 57.756 0.000 1 995 99 102 GLU CB C 30.756 0.000 1 996 99 102 GLU HA H 4.231 0.022 1 997 99 102 GLU HB2 H 2.021 0.017 2 998 99 102 GLU H H 8.219 0.019 1 999 99 102 GLU N N 121.972 0.075 1 1000 100 103 ARG C C 176.757 0.000 1 1001 100 103 ARG CA C 57.268 0.000 1 1002 100 103 ARG CB C 31.444 0.000 1 1003 100 103 ARG HA H 4.291 0.052 1 1004 100 103 ARG HB2 H 1.818 0.025 2 1005 100 103 ARG HB3 H 1.609 0.015 2 1006 100 103 ARG H H 8.218 0.008 1 1007 100 103 ARG N N 121.479 0.093 1 1008 101 104 LEU C C 177.682 0.000 1 1009 101 104 LEU CA C 55.476 0.056 1 1010 101 104 LEU CB C 42.820 0.000 1 1011 101 104 LEU CD1 C 25.631 0.000 1 1012 101 104 LEU HA H 4.296 0.019 1 1013 101 104 LEU HB2 H 1.628 0.025 2 1014 101 104 LEU HD1 H 0.919 0.011 2 1015 101 104 LEU HD2 H 0.863 0.000 2 1016 101 104 LEU H H 8.121 0.011 1 1017 101 104 LEU N N 122.896 0.052 1 1018 102 105 LYS C C 177.949 0.000 1 1019 102 105 LYS CA C 57.224 0.000 1 1020 102 105 LYS CB C 33.274 0.000 1 1021 102 105 LYS HA H 4.305 0.031 1 1022 102 105 LYS HB2 H 1.810 0.024 2 1023 102 105 LYS H H 8.132 0.007 1 1024 102 105 LYS N N 122.075 0.151 1 1025 103 106 ASP C C 176.314 0.000 1 1026 103 106 ASP CA C 55.161 0.000 1 1027 103 106 ASP CB C 41.394 0.000 1 1028 103 106 ASP HA H 4.543 0.002 1 1029 103 106 ASP HB2 H 2.585 0.013 1 1030 103 106 ASP H H 8.295 0.012 1 1031 103 106 ASP N N 121.481 0.204 1 1032 104 107 SER C C 174.311 0.000 1 1033 104 107 SER CA C 58.781 0.008 1 1034 104 107 SER CB C 64.244 0.000 1 1035 104 107 SER HA H 4.376 0.013 1 1036 104 107 SER HB2 H 3.820 0.025 1 1037 104 107 SER H H 8.065 0.000 1 1038 104 107 SER N N 115.836 0.000 1 1039 105 108 PHE C C 175.693 0.000 1 1040 105 108 PHE CA C 58.110 0.000 1 1041 105 108 PHE CB C 39.892 0.083 1 1042 105 108 PHE HA H 4.677 0.021 1 1043 105 108 PHE HB2 H 3.199 0.021 2 1044 105 108 PHE HB3 H 3.053 0.025 2 1045 105 108 PHE H H 8.214 0.000 1 1046 105 108 PHE N N 122.336 0.000 1 1047 106 109 GLU C C 175.275 0.000 1 1048 106 109 GLU CA C 56.768 0.000 1 1049 106 109 GLU CB C 30.734 0.000 1 1050 106 109 GLU HA H 4.290 0.002 1 1051 106 109 GLU HB2 H 1.895 0.013 2 1052 106 109 GLU H H 8.233 0.000 1 1053 106 109 GLU N N 122.986 0.000 1 1054 107 110 ASN HB2 H 2.811 0.011 2 1055 107 110 ASN HD21 H 7.492 0.003 2 1056 107 110 ASN HD22 H 6.804 0.007 2 1057 107 110 ASN H H 7.980 0.006 1 1058 107 110 ASN N N 125.507 0.083 1 1059 107 110 ASN ND2 N 113.250 0.049 1 stop_ save_