data_6334 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N backbone and sidechain resonance assignment of Mip(77-213) the PPIase domain of the Legionella pneumophila Mip protein ; _BMRB_accession_number 6334 _BMRB_flat_file_name bmr6334.str _Entry_type original _Submission_date 2004-10-01 _Accession_date 2004-10-01 _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 Horstmann Martin . . 2 Kamphausen Thilo . . 3 Schweimer Kristian . . 4 Steinert Michael . . 5 Hacker Jorg . . 6 Hase Axel . . 7 Rosch Paul . . 8 Fischer Gunter . . 9 Faber Cornelius . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 748 "13C chemical shifts" 568 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-11-11 original author . stop_ _Original_release_date 2004-11-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C, 15N backbone and sidechain resonance assignment of Mip(77-213) the PPIase domain of the Legionella pneumophila Mip protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Horstmann Martin . . 2 Kamphausen Thilo . . 3 Schweimer Kristian . . 4 Steinert Michael . . 5 Hacker Jorg . . 6 Haase Axel . . 7 Rosch Paul . . 8 Schweimer Gunter . . 9 Faber Cornelius . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 77 _Page_last 78 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_Mip _Saveframe_category molecular_system _Mol_system_name 'Mip (77-213) monomer' _Abbreviation_common Mip _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Mip monomer' $Mip_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Mip_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'macrophage infectivity potentiator protein' _Abbreviation_common Mip _Molecular_mass 14603 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; FNKKADENKVKGEAFLTENK NKPGVVVLPSGLQYKVINSG NGVKPGKSDTVTVEYTGRLI DGTVFDSTEKTGKPATFQVS QVIPGWTEALQLMPAGSTWE IYVPSGLAYGPRSVGGPIGP NETLIFKIHLISVKKSS ; loop_ _Residue_seq_code _Residue_label 1 PHE 2 ASN 3 LYS 4 LYS 5 ALA 6 ASP 7 GLU 8 ASN 9 LYS 10 VAL 11 LYS 12 GLY 13 GLU 14 ALA 15 PHE 16 LEU 17 THR 18 GLU 19 ASN 20 LYS 21 ASN 22 LYS 23 PRO 24 GLY 25 VAL 26 VAL 27 VAL 28 LEU 29 PRO 30 SER 31 GLY 32 LEU 33 GLN 34 TYR 35 LYS 36 VAL 37 ILE 38 ASN 39 SER 40 GLY 41 ASN 42 GLY 43 VAL 44 LYS 45 PRO 46 GLY 47 LYS 48 SER 49 ASP 50 THR 51 VAL 52 THR 53 VAL 54 GLU 55 TYR 56 THR 57 GLY 58 ARG 59 LEU 60 ILE 61 ASP 62 GLY 63 THR 64 VAL 65 PHE 66 ASP 67 SER 68 THR 69 GLU 70 LYS 71 THR 72 GLY 73 LYS 74 PRO 75 ALA 76 THR 77 PHE 78 GLN 79 VAL 80 SER 81 GLN 82 VAL 83 ILE 84 PRO 85 GLY 86 TRP 87 THR 88 GLU 89 ALA 90 LEU 91 GLN 92 LEU 93 MET 94 PRO 95 ALA 96 GLY 97 SER 98 THR 99 TRP 100 GLU 101 ILE 102 TYR 103 VAL 104 PRO 105 SER 106 GLY 107 LEU 108 ALA 109 TYR 110 GLY 111 PRO 112 ARG 113 SER 114 VAL 115 GLY 116 GLY 117 PRO 118 ILE 119 GLY 120 PRO 121 ASN 122 GLU 123 THR 124 LEU 125 ILE 126 PHE 127 LYS 128 ILE 129 HIS 130 LEU 131 ILE 132 SER 133 VAL 134 LYS 135 LYS 136 SER 137 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 15507 Mip_protein 100.00 137 100.00 100.00 7.62e-92 BMRB 7021 LpMip 100.00 213 100.00 100.00 6.97e-93 PDB 1FD9 "Crystal Structure Of The Macrophage Infectivity Potentiator Protein (Mip) A Major Virulence Factor From Legionella Pneumophila" 100.00 213 100.00 100.00 6.97e-93 PDB 2UZ5 "Solution Structure Of The Fkbp-Domain Of Legionella Pneumophila Mip" 100.00 137 100.00 100.00 7.62e-92 PDB 2VCD "Solution Structure Of The Fkbp-domain Of Legionella Pneumophila Mip In Complex With Rapamycin" 100.00 137 100.00 100.00 7.62e-92 DBJ BAE48749 "macrophage infectivity potentiator [Legionella pneumophila]" 55.47 133 100.00 100.00 1.18e-44 EMBL CAD42883 "macrophage infectivity potentiator [Legionella pneumophila serogroup 1]" 100.00 233 100.00 100.00 1.61e-93 EMBL CAD42884 "macrophage infectivity potentiator [Legionella pneumophila serogroup 6]" 100.00 233 99.27 100.00 4.34e-93 EMBL CAD42885 "macrophage infectivity potentiator [Legionella pneumophila serogroup 8]" 100.00 233 100.00 100.00 1.61e-93 EMBL CAD42887 "macrophage infectivity potentiator [Legionella pneumophila serogroup 1]" 100.00 233 100.00 100.00 1.37e-93 EMBL CAD42888 "macrophage infectivity potentiator [Legionella pneumophila serogroup 6]" 100.00 233 99.27 100.00 4.34e-93 GB AAB03461 "Mip [Legionella fairfieldensis]" 86.86 210 99.16 99.16 5.63e-79 GB AAB03462 "Mip [Legionella worsleiensis]" 86.86 210 98.32 99.16 1.17e-78 GB AAB22717 "macrophage infectivity potentiator [Legionella pneumophila]" 100.00 233 100.00 100.00 1.61e-93 GB AAB31083 "peptidyl-prolyl cis/trans isomerase, partial [Legionella pneumophila]" 100.00 233 99.27 100.00 4.34e-93 GB AAB81364 "macrophage infectivity potentiator protein, partial [Legionella pneumophila serogroup 2]" 81.75 202 99.11 100.00 2.53e-74 PRF 2014249A "macrophage infectivity potentiator" 100.00 233 100.00 100.00 1.61e-93 REF WP_010946528 "membrane protein [Legionella pneumophila]" 100.00 235 100.00 100.00 2.21e-93 REF WP_011213317 "membrane protein [Legionella pneumophila]" 100.00 233 100.00 100.00 1.61e-93 REF WP_011214989 "membrane protein [Legionella pneumophila]" 100.00 233 99.27 100.00 4.34e-93 REF WP_014326780 "membrane protein [Legionella pneumophila]" 100.00 235 99.27 100.00 4.85e-93 REF WP_027221154 "membrane protein [Legionella pneumophila]" 100.00 233 98.54 100.00 9.42e-93 SP A5IGB8 "RecName: Full=Outer membrane protein MIP; AltName: Full=Macrophage infectivity potentiator; AltName: Full=Peptidyl-prolyl cis-t" 100.00 233 99.27 100.00 4.34e-93 SP Q5ZXE0 "RecName: Full=Outer membrane protein MIP; AltName: Full=Macrophage infectivity potentiator; AltName: Full=Peptidyl-prolyl cis-t" 100.00 233 100.00 100.00 1.61e-93 SP Q70YI1 "RecName: Full=Outer membrane protein MIP; AltName: Full=Macrophage infectivity potentiator; AltName: Full=Peptidyl-prolyl cis-t" 100.00 233 99.27 100.00 4.34e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Mip_monomer 'Legionella pneumophila' 446 Eubacteria . Legionella 'L. pneumophila' 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 $Mip_monomer 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Mip_mono_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mip_monomer 2.5 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRVIEW _Saveframe_category software _Name NMRVIEW _Version 5.22 loop_ _Task 'automated peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_C(CO)_NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'C(CO) NH' _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'C(CO) NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.5 0.2 na temperature 298 0.5 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 _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_set _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N NOESY' HNCO HNCA CBCA(CO)NH HNCACB 'C(CO) NH' HCCH-TOCSY HBHA(CO)NH HNHA stop_ loop_ _Sample_label $Mip_mono_sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Mip monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 ASN CA C 52.846 0.05 1 2 . 2 ASN HA H 4.809 0.01 1 3 . 2 ASN C C 175.03618 0.05 1 4 . 2 ASN CB C 38.752 0.05 1 5 . 2 ASN HB2 H 2.986 0.01 1 6 . 2 ASN HB3 H 2.986 0.01 1 7 . 3 LYS H H 8.695 0.01 1 8 . 3 LYS N N 123.922 0.05 1 9 . 3 LYS CA C 57.548 0.05 1 10 . 3 LYS HA H 4.283 0.01 1 11 . 3 LYS C C 177.472 0.05 1 12 . 3 LYS CB C 32.811 0.05 1 13 . 3 LYS HB2 H 1.917 0.01 1 14 . 3 LYS HB3 H 1.917 0.01 1 15 . 3 LYS CG C 25.08 0.05 1 16 . 3 LYS HG2 H 1.533 0.01 1 17 . 3 LYS HG3 H 1.533 0.01 1 18 . 3 LYS CD C 25.08 0.05 1 19 . 3 LYS HD2 H 1.507 0.01 1 20 . 3 LYS HD3 H 1.732 0.01 1 21 . 3 LYS CE C 29.216 0.05 1 22 . 3 LYS HE2 H 3.018 0.01 1 23 . 3 LYS HE3 H 3.018 0.01 1 24 . 4 LYS H H 8.413 0.01 1 25 . 4 LYS N N 121.576 0.05 1 26 . 4 LYS CA C 57.743 0.05 1 27 . 4 LYS HA H 4.189 0.01 1 28 . 4 LYS C C 177.6303 0.05 1 29 . 4 LYS CB C 32.176 0.05 1 30 . 4 LYS HB2 H 1.866 0.01 1 31 . 4 LYS HB3 H 1.866 0.01 1 32 . 4 LYS CG C 24.743 0.05 1 33 . 4 LYS HG2 H 1.501 0.01 1 34 . 4 LYS HG3 H 1.501 0.01 1 35 . 4 LYS CD C 28.372 0.05 1 36 . 4 LYS HD2 H 1.73 0.01 1 37 . 4 LYS HD3 H 1.73 0.01 1 38 . 4 LYS CE C 42.719 0.05 1 39 . 4 LYS HE2 H 3.038 0.01 1 40 . 4 LYS HE3 H 3.038 0.01 1 41 . 5 ALA H H 8.242 0.01 1 42 . 5 ALA N N 121.861 0.05 1 43 . 5 ALA CA C 55.122 0.05 1 44 . 5 ALA HA H 3.917 0.01 1 45 . 5 ALA C C 175.2342 0.05 1 46 . 5 ALA CB C 18.43 0.05 1 47 . 5 ALA HB H 1.408 0.01 1 48 . 6 ASP H H 7.989 0.01 1 49 . 6 ASP N N 119.043 0.05 1 50 . 6 ASP CA C 56.591 0.05 1 51 . 6 ASP HA H 4.517 0.01 1 52 . 6 ASP C C 178.1413 0.05 1 53 . 6 ASP CB C 40.451 0.05 1 54 . 6 ASP HB2 H 2.747 0.01 1 55 . 6 ASP HB3 H 2.747 0.01 1 56 . 7 GLU H H 8.191 0.01 1 57 . 7 GLU N N 121.404 0.05 1 58 . 7 GLU CA C 59.132 0.05 1 59 . 7 GLU HA H 4.067 0.01 1 60 . 7 GLU C C 178.9363 0.05 1 61 . 7 GLU CB C 29.706 0.05 1 62 . 7 GLU HB2 H 2.129 0.01 1 63 . 7 GLU HB3 H 2.129 0.01 1 64 . 7 GLU CG C 36.558 0.05 1 65 . 7 GLU HG2 H 2.266 0.01 1 66 . 7 GLU HG3 H 2.266 0.01 1 67 . 8 ASN H H 8.584 0.01 1 68 . 8 ASN N N 118.722 0.05 1 69 . 8 ASN CA C 55.317 0.05 1 70 . 8 ASN HA H 4.517 0.01 1 71 . 8 ASN C C 178.7961 0.05 1 72 . 8 ASN CB C 37.156 0.05 1 73 . 8 ASN HB2 H 3.018 0.01 1 74 . 8 ASN HB3 H 3.018 0.01 1 75 . 8 ASN ND2 N 109.935 0.05 1 76 . 8 ASN HD21 H 7.94 0.01 1 77 . 8 ASN HD22 H 7.076 0.01 1 78 . 9 LYS H H 7.795 0.01 1 79 . 9 LYS N N 122.201 0.05 1 80 . 9 LYS CA C 59.556 0.05 1 81 . 9 LYS HA H 4.339 0.01 1 82 . 9 LYS C C 178.563 0.05 1 83 . 9 LYS CB C 32.865 0.05 1 84 . 9 LYS HB2 H 2.185 0.01 1 85 . 9 LYS HB3 H 1.941 0.01 1 86 . 10 VAL H H 7.788 0.01 1 87 . 10 VAL N N 118.869 0.05 1 88 . 10 VAL CA C 65.962 0.05 1 89 . 10 VAL HA H 3.884 0.01 1 90 . 10 VAL C C 179.225 0.05 1 91 . 10 VAL CB C 32.089 0.05 1 92 . 10 VAL HB H 2.233 0.01 1 93 . 10 VAL CG1 C 22.3448 0.05 1 94 . 10 VAL HG1 H 1.145 0.01 1 95 . 10 VAL CG2 C 21.2445 0.05 1 96 . 10 VAL HG2 H 1.04 0.01 1 97 . 11 LYS H H 8.461 0.01 1 98 . 11 LYS N N 120.972 0.05 1 99 . 11 LYS CA C 59.588 0.05 1 100 . 11 LYS HA H 4.19 0.01 1 101 . 11 LYS C C 180.239 0.05 1 102 . 11 LYS CB C 32.52 0.05 1 103 . 11 LYS HB2 H 1.966 0.01 1 104 . 11 LYS HB3 H 1.966 0.01 1 105 . 11 LYS CG C 25.6197 0.05 1 106 . 11 LYS HG2 H 1.749 0.01 1 107 . 11 LYS HG3 H 1.521 0.01 1 108 . 11 LYS CE C 42.308 0.05 1 109 . 11 LYS HE2 H 3.018 0.01 1 110 . 11 LYS HE3 H 3.018 0.01 1 111 . 12 GLY H H 8.406 0.01 1 112 . 12 GLY N N 109.369 0.05 1 113 . 12 GLY CA C 47.884 0.05 1 114 . 12 GLY HA2 H 4.4 0.01 1 115 . 12 GLY HA3 H 3.945 0.01 1 116 . 12 GLY C C 175.7945 0.05 1 117 . 13 GLU H H 8.2 0.01 1 118 . 13 GLU N N 121.115 0.05 1 119 . 13 GLU CA C 62.467 0.05 1 120 . 13 GLU HA H 4.103 0.01 1 121 . 13 GLU C C 179.7806 0.05 1 122 . 13 GLU CB C 27.443 0.05 1 123 . 13 GLU CG C 32.338 0.05 1 124 . 14 ALA H H 8.338 0.01 1 125 . 14 ALA N N 123.256 0.05 1 126 . 14 ALA CA C 55.264 0.05 1 127 . 14 ALA HA H 4.226 0.01 1 128 . 14 ALA C C 180.3781 0.05 1 129 . 14 ALA CB C 17.788 0.05 1 130 . 14 ALA HB H 1.595 0.01 1 131 . 15 PHE H H 8.092 0.01 1 132 . 15 PHE N N 119.628 0.05 1 133 . 15 PHE CA C 61.603 0.05 1 134 . 15 PHE HA H 4.226 0.01 1 135 . 15 PHE C C 174.695 0.05 1 136 . 15 PHE CB C 39.369 0.05 1 137 . 15 PHE HB2 H 3.407 0.01 1 138 . 15 PHE HB3 H 3.407 0.01 1 139 . 15 PHE CD1 C 132.215 0.05 1 140 . 15 PHE HD1 H 7.189 0.01 1 141 . 15 PHE HD2 H 7.189 0.01 1 142 . 15 PHE HE1 H 7.147 0.01 1 143 . 15 PHE HE2 H 7.147 0.01 1 144 . 16 LEU H H 8.482 0.01 1 145 . 16 LEU N N 119.628 0.05 1 146 . 16 LEU CA C 57.936 0.05 1 147 . 16 LEU HA H 3.749 0.01 1 148 . 16 LEU C C 179.6249 0.05 1 149 . 16 LEU CB C 40.558 0.05 1 150 . 16 LEU HB2 H 2.044 0.01 1 151 . 16 LEU HB3 H 1.557 0.01 1 152 . 16 LEU CG C 26.937 0.05 1 153 . 16 LEU CD1 C 27.812 0.05 1 154 . 16 LEU HD1 H 1.025 0.01 4 155 . 16 LEU CD2 C 27.812 0.05 1 156 . 16 LEU HD2 H 1.025 0.01 4 157 . 16 LEU HG H 2.13 0.01 4 158 . 17 THR H H 8.291 0.01 1 159 . 17 THR N N 117.375 0.05 1 160 . 17 THR CA C 68.722 0.05 1 161 . 17 THR HA H 4.288 0.01 1 162 . 17 THR C C 175.5555 0.05 1 163 . 17 THR CB C 67.082 0.05 1 164 . 17 THR HB H 3.769 0.01 1 165 . 17 THR CG2 C 21.873 0.05 1 166 . 17 THR HG2 H 1.22 0.01 1 167 . 18 GLU H H 7.51 0.01 1 168 . 18 GLU N N 120.715 0.05 1 169 . 18 GLU CA C 58.292 0.05 1 170 . 18 GLU HA H 4.052 0.01 1 171 . 18 GLU C C 179.2489 0.05 1 172 . 18 GLU CB C 29.353 0.05 1 173 . 18 GLU HB2 H 1.956 0.01 1 174 . 18 GLU HB3 H 1.956 0.01 1 175 . 18 GLU CG C 36.136 0.05 1 176 . 18 GLU HG2 H 2.226 0.01 1 177 . 18 GLU HG3 H 2.226 0.01 1 178 . 19 ASN H H 8.299 0.01 1 179 . 19 ASN N N 118.687 0.05 1 180 . 19 ASN CA C 55.906 0.05 1 181 . 19 ASN HA H 3.873 0.01 1 182 . 19 ASN C C 176.1812 0.05 1 183 . 19 ASN CB C 37.949 0.05 1 184 . 19 ASN HB2 H 2.589 0.01 1 185 . 19 ASN HB3 H 2.636 0.01 1 186 . 19 ASN ND2 N 113.113 0.05 1 187 . 19 ASN HD21 H 7.799 0.01 1 188 . 19 ASN HD22 H 6.948 0.01 1 189 . 20 LYS H H 6.993 0.01 1 190 . 20 LYS N N 111.82 0.05 1 191 . 20 LYS CA C 58.215 0.05 1 192 . 20 LYS HA H 3.646 0.01 1 193 . 20 LYS C C 175.7247 0.05 1 194 . 20 LYS CB C 32.12 0.05 1 195 . 20 LYS HB2 H 1.739 0.01 1 196 . 20 LYS HB3 H 1.739 0.01 1 197 . 20 LYS CG C 24.106 0.05 1 198 . 20 LYS HG2 H 1.395 0.01 1 199 . 20 LYS HG3 H 1.395 0.01 1 200 . 20 LYS CD C 29.801 0.05 1 201 . 20 LYS HD2 H 1.653 0.01 1 202 . 20 LYS HD3 H 1.653 0.01 1 203 . 20 LYS CE C 42.036 0.05 1 204 . 20 LYS HE2 H 2.972 0.01 1 205 . 20 LYS HE3 H 2.972 0.01 1 206 . 21 ASN H H 7.07 0.01 1 207 . 21 ASN N N 113.737 0.05 1 208 . 21 ASN CA C 52.537 0.05 1 209 . 21 ASN HA H 4.807 0.01 1 210 . 21 ASN C C 175.5994 0.05 1 211 . 21 ASN CB C 39.298 0.05 1 212 . 21 ASN HB2 H 2.976 0.01 1 213 . 21 ASN HB3 H 2.636 0.01 1 214 . 21 ASN ND2 N 113.113 0.05 1 215 . 21 ASN HD21 H 7.799 0.01 1 216 . 21 ASN HD22 H 6.948 0.01 1 217 . 22 LYS H H 7.486 0.01 1 218 . 22 LYS N N 122.21 0.05 1 219 . 22 LYS CA C 54.78 0.05 1 220 . 22 LYS HA H 4.375 0.01 1 221 . 22 LYS CB C 30.674 0.05 1 222 . 22 LYS HB2 H 1.679 0.01 1 223 . 22 LYS HB3 H 1.679 0.01 1 224 . 22 LYS HG2 H 1.402 0.01 1 225 . 22 LYS CD C 28.6326 0.05 1 226 . 22 LYS HD3 H 1.091 0.01 1 227 . 22 LYS CE C 42.5785 0.05 1 228 . 22 LYS HE2 H 2.899 0.01 1 229 . 22 LYS HE3 H 2.899 0.01 1 230 . 23 PRO CA C 63.989 0.05 1 231 . 23 PRO HA H 4.258 0.01 1 232 . 23 PRO C C 178.08911 0.05 1 233 . 23 PRO CB C 31.756 0.05 1 234 . 23 PRO HB2 H 2.282 0.01 1 235 . 23 PRO HB3 H 1.87 0.01 1 236 . 23 PRO CG C 28.0857 0.05 1 237 . 23 PRO HG2 H 2.101 0.01 1 238 . 23 PRO HG3 H 2.101 0.01 1 239 . 23 PRO CD C 50.5086 0.05 1 240 . 23 PRO HD2 H 3.823 0.01 1 241 . 23 PRO HD3 H 3.823 0.01 1 242 . 24 GLY H H 8.738 0.01 1 243 . 24 GLY N N 111.687 0.05 1 244 . 24 GLY CA C 45.195 0.05 1 245 . 24 GLY HA2 H 4.07 0.01 1 246 . 24 GLY HA3 H 3.593 0.01 1 247 . 24 GLY C C 173.30074 0.05 1 248 . 25 VAL H H 7.131 0.01 1 249 . 25 VAL N N 120.514 0.05 1 250 . 25 VAL CA C 63.802 0.05 1 251 . 25 VAL HA H 4.061 0.01 1 252 . 25 VAL C C 175.7554 0.05 1 253 . 25 VAL CB C 31.727 0.05 1 254 . 25 VAL HB H 1.767 0.01 1 255 . 25 VAL CG1 C 23.73 0.05 1 256 . 25 VAL HG1 H 0.637 0.01 1 257 . 25 VAL CG2 C 23.73 0.05 1 258 . 25 VAL HG2 H 0.637 0.01 1 259 . 26 VAL H H 9.25 0.01 1 260 . 26 VAL N N 109.35 0.05 1 261 . 26 VAL CA C 61.473 0.05 1 262 . 26 VAL HA H 3.826 0.01 1 263 . 26 VAL C C 174.21872 0.05 1 264 . 26 VAL CB C 32.726 0.05 1 265 . 26 VAL HB H 0.342 0.01 1 266 . 26 VAL CG1 C 21.139 0.05 1 267 . 26 VAL HG1 H 0.517 0.01 1 268 . 26 VAL CG2 C 21.139 0.05 1 269 . 26 VAL HG2 H 0.617 0.01 1 270 . 27 VAL H H 8.248 0.01 1 271 . 27 VAL N N 124.422 0.05 1 272 . 27 VAL CA C 61.173 0.05 1 273 . 27 VAL HA H 4.463 0.01 1 274 . 27 VAL C C 176.11171 0.05 1 275 . 27 VAL CB C 32.899 0.05 1 276 . 27 VAL HB H 1.944 0.01 1 277 . 27 VAL CG1 C 21.62 0.05 1 278 . 27 VAL HG1 H 0.967 0.01 1 279 . 27 VAL CG2 C 21.62 0.05 1 280 . 27 VAL HG2 H 0.967 0.01 1 281 . 28 LEU H H 8.993 0.01 1 282 . 28 LEU N N 129.84 0.05 1 283 . 28 LEU CA C 53.213 0.05 1 284 . 28 LEU HA H 4.824 0.01 1 285 . 28 LEU CB C 40.717 0.05 1 286 . 28 LEU HB2 H 2.048 0.01 1 287 . 28 LEU HB3 H 1.548 0.01 1 288 . 28 LEU CG C 25.65 0.05 1 289 . 28 LEU CD1 C 22.1 0.05 1 290 . 28 LEU HD1 H 0.854 0.01 1 291 . 28 LEU CD2 C 22.1 0.05 1 292 . 28 LEU HD2 H 0.854 0.01 1 293 . 28 LEU HG H 1.033 0.01 1 294 . 29 PRO CA C 65.629 0.05 1 295 . 29 PRO HA H 4.285 0.01 1 296 . 29 PRO C C 177.46997 0.05 1 297 . 29 PRO CB C 31.756 0.05 1 298 . 29 PRO HB2 H 2.421 0.01 1 299 . 29 PRO HB3 H 1.963 0.01 1 300 . 29 PRO CG C 27.716 0.05 1 301 . 29 PRO HG2 H 2.229 0.01 1 302 . 29 PRO HG3 H 2.091 0.01 1 303 . 29 PRO CD C 50.574 0.05 1 304 . 29 PRO HD2 H 3.9811 0.01 1 305 . 29 PRO HD3 H 3.9811 0.01 1 306 . 30 SER H H 8.441 0.01 1 307 . 30 SER N N 111.819 0.05 1 308 . 30 SER CA C 58.832 0.05 1 309 . 30 SER HA H 4.137 0.01 1 310 . 30 SER C C 175.50972 0.05 1 311 . 30 SER CB C 63.069 0.05 1 312 . 30 SER HB2 H 4.004 0.01 1 313 . 30 SER HB3 H 4.004 0.01 1 314 . 31 GLY H H 8.337 0.01 1 315 . 31 GLY N N 110.646 0.05 1 316 . 31 GLY CA C 44.143 0.05 1 317 . 31 GLY HA2 H 4.51 0.01 1 318 . 31 GLY HA3 H 3.545 0.01 1 319 . 31 GLY C C 173.55559 0.05 1 320 . 32 LEU H H 7.727 0.01 1 321 . 32 LEU N N 122.04 0.05 1 322 . 32 LEU CA C 56.429 0.05 1 323 . 32 LEU HA H 4.201 0.01 1 324 . 32 LEU C C 174.05658 0.05 1 325 . 32 LEU CB C 42.893 0.05 1 326 . 32 LEU HB2 H 1.85 0.01 1 327 . 32 LEU HB3 H 1.477 0.01 1 328 . 32 LEU CG C 27.8122 0.05 1 329 . 32 LEU CD1 C 26.352 0.05 1 330 . 32 LEU HD1 H 1.27 0.01 1 331 . 32 LEU CD2 C 26.352 0.05 1 332 . 32 LEU HD2 H 1.11 0.01 1 333 . 32 LEU HG H 1.461 0.01 1 334 . 33 GLN H H 8.232 0.01 1 335 . 33 GLN N N 121.7 0.05 1 336 . 33 GLN CA C 52.021 0.05 1 337 . 33 GLN HA H 6.025 0.01 1 338 . 33 GLN C C 176.23805 0.05 1 339 . 33 GLN CB C 31.23 0.05 1 340 . 33 GLN HB2 H 2.27 0.01 1 341 . 33 GLN HB3 H 1.97 0.01 1 342 . 33 GLN CG C 33.169 0.05 1 343 . 33 GLN HG2 H 2.747 0.01 1 344 . 33 GLN HG3 H 2.747 0.01 1 345 . 34 TYR H H 9.318 0.01 1 346 . 34 TYR N N 117.599 0.05 1 347 . 34 TYR CA C 56.688 0.05 1 348 . 34 TYR HA H 5.931 0.01 1 349 . 34 TYR C C 171.43094 0.05 1 350 . 34 TYR CB C 43.429 0.05 1 351 . 34 TYR HB2 H 2.935 0.01 1 352 . 34 TYR HB3 H 2.935 0.01 1 353 . 34 TYR CD1 C 132.445 0.05 1 354 . 34 TYR HD1 H 6 0.01 1 355 . 34 TYR CD2 C 132.445 0.05 1 356 . 34 TYR HD2 H 6 0.01 1 357 . 34 TYR CE1 C 117.24 0.05 1 358 . 34 TYR HE1 H 6.072 0.01 1 359 . 34 TYR CE2 C 117.24 0.05 1 360 . 34 TYR HE2 H 6.072 0.01 1 361 . 35 LYS H H 9.504 0.01 1 362 . 35 LYS N N 119.773 0.05 1 363 . 35 LYS CA C 55.01 0.05 1 364 . 35 LYS HA H 4.654 0.01 1 365 . 35 LYS C C 174.85693 0.05 1 366 . 35 LYS CB C 37.916 0.05 1 367 . 35 LYS HB2 H 1.744 0.01 1 368 . 35 LYS HB3 H 1.685 0.01 1 369 . 35 LYS CG C 25.6528 0.05 1 370 . 35 LYS HG2 H 1.191 0.01 1 371 . 35 LYS HG3 H 1.299 0.01 1 372 . 35 LYS CD C 29.726 0.05 1 373 . 35 LYS HD2 H 1.685 0.01 1 374 . 35 LYS HD3 H 1.685 0.01 1 375 . 35 LYS CE C 42.032 0.05 1 376 . 35 LYS HE2 H 2.965 0.01 1 377 . 35 LYS HE3 H 2.965 0.01 1 378 . 36 VAL H H 8.995 0.01 1 379 . 36 VAL N N 127.718 0.05 1 380 . 36 VAL CA C 64.234 0.05 1 381 . 36 VAL HA H 3.542 0.01 1 382 . 36 VAL C C 176.19603 0.05 1 383 . 36 VAL CB C 31.725 0.05 1 384 . 36 VAL HB H 1.932 0.01 1 385 . 36 VAL CG1 C 20.337 0.05 1 386 . 36 VAL HG1 H 0.446 0.01 1 387 . 36 VAL CG2 C 20.337 0.05 1 388 . 36 VAL HG2 H 0.446 0.01 1 389 . 37 ILE H H 8.485 0.01 1 390 . 37 ILE N N 129.734 0.05 1 391 . 37 ILE CA C 62.448 0.05 1 392 . 37 ILE HA H 4.208 0.01 1 393 . 37 ILE C C 176.23035 0.05 1 394 . 37 ILE CB C 37.037 0.05 1 395 . 37 ILE HB H 1.744 0.01 1 396 . 37 ILE CG2 C 16.648 0.05 1 397 . 37 ILE HG2 H 0.933 0.01 1 398 . 37 ILE CG1 C 27.555 0.05 1 399 . 37 ILE HG12 H 1.461 0.01 1 400 . 37 ILE HG13 H 1.461 0.01 1 401 . 37 ILE CD1 C 11.595 0.05 1 402 . 37 ILE HD1 H 0.789 0.01 1 403 . 38 ASN H H 8.695 0.01 1 404 . 38 ASN N N 115.706 0.05 1 405 . 38 ASN CA C 53.502 0.05 1 406 . 38 ASN HA H 5.05 0.01 1 407 . 38 ASN C C 174.26857 0.05 1 408 . 38 ASN CB C 42.568 0.05 1 409 . 38 ASN HB2 H 2.803 0.01 1 410 . 38 ASN HB3 H 2.803 0.01 1 411 . 38 ASN ND2 N 113.038 0.05 1 412 . 38 ASN HD21 H 7.458 0.01 1 413 . 38 ASN HD22 H 6.83 0.01 1 414 . 39 SER H H 9.049 0.01 1 415 . 39 SER N N 121.357 0.05 1 416 . 39 SER CA C 58.648 0.05 1 417 . 39 SER HA H 4.891 0.01 1 418 . 39 SER C C 174.35751 0.05 1 419 . 39 SER CB C 64.32 0.05 1 420 . 39 SER HB2 H 3.964 0.01 1 421 . 39 SER HB3 H 3.964 0.01 1 422 . 40 GLY H H 8.144 0.01 1 423 . 40 GLY N N 112.759 0.05 1 424 . 40 GLY CA C 43.465 0.05 1 425 . 40 GLY HA2 H 4.395 0.01 1 426 . 40 GLY HA3 H 3.537 0.01 1 427 . 41 ASN H H 8.455 0.01 1 428 . 41 ASN N N 115.116 0.05 1 429 . 41 ASN CA C 52.26 0.05 1 430 . 41 ASN HA H 5.041 0.01 1 431 . 41 ASN C C 175.91533 0.05 1 432 . 41 ASN CB C 39.722 0.05 1 433 . 41 ASN HB2 H 2.85 0.01 1 434 . 41 ASN HB3 H 2.85 0.01 1 435 . 41 ASN ND2 N 112.01 0.05 1 436 . 41 ASN HD21 H 7.531 0.01 1 437 . 41 ASN HD22 H 6.83 0.01 1 438 . 42 GLY H H 8.21 0.01 1 439 . 42 GLY N N 108.588 0.05 1 440 . 42 GLY CA C 44.414 0.05 1 441 . 42 GLY HA2 H 4.404 0.01 1 442 . 42 GLY HA3 H 3.777 0.01 1 443 . 42 GLY C C 172.18719 0.05 1 444 . 43 VAL H H 7.991 0.01 1 445 . 43 VAL N N 115.472 0.05 1 446 . 43 VAL CA C 61.682 0.05 1 447 . 43 VAL HA H 4.076 0.01 1 448 . 43 VAL C C 175.354 0.05 1 449 . 43 VAL CB C 32.569 0.05 1 450 . 43 VAL HB H 2.063 0.01 1 451 . 43 VAL CG1 C 21.099 0.05 1 452 . 43 VAL HG1 H 0.933 0.01 1 453 . 43 VAL CG2 C 19.615 0.05 1 454 . 43 VAL HG2 H 0.873 0.01 1 455 . 44 LYS H H 8.029 0.01 1 456 . 44 LYS N N 122.248 0.05 1 457 . 44 LYS CA C 52.976 0.05 1 458 . 44 LYS HA H 5.077 0.01 1 459 . 44 LYS CB C 32.328 0.05 1 460 . 45 PRO CA C 62.374 0.05 1 461 . 45 PRO HA H 4.46 0.01 1 462 . 45 PRO C C 176.72586 0.05 1 463 . 45 PRO CB C 32.723 0.05 1 464 . 45 PRO HB2 H 1.838 0.01 1 465 . 45 PRO HB3 H 1.838 0.01 1 466 . 45 PRO CG C 28.036 0.05 1 467 . 46 GLY H H 9.393 0.01 1 468 . 46 GLY N N 109.617 0.05 1 469 . 46 GLY CA C 43.162 0.05 1 470 . 46 GLY HA2 H 4.461 0.01 1 471 . 46 GLY HA3 H 3.677 0.01 1 472 . 46 GLY C C 175.26595 0.05 1 473 . 47 LYS H H 8.138 0.01 1 474 . 47 LYS N N 116.995 0.05 1 475 . 47 LYS CA C 59.436 0.05 1 476 . 47 LYS HA H 3.655 0.01 1 477 . 47 LYS C C 176.43272 0.05 1 478 . 47 LYS CB C 32.441 0.05 1 479 . 47 LYS HB2 H 1.754 0.01 1 480 . 47 LYS HB3 H 1.754 0.01 1 481 . 47 LYS CG C 25.229 0.05 1 482 . 48 SER H H 8.243 0.01 1 483 . 48 SER N N 109.911 0.05 1 484 . 48 SER CA C 57.305 0.05 1 485 . 48 SER HA H 4.759 0.01 1 486 . 48 SER C C 174.90251 0.05 1 487 . 48 SER CB C 63.761 0.05 1 488 . 48 SER HB2 H 3.961 0.01 1 489 . 48 SER HB3 H 3.961 0.01 1 490 . 49 ASP H H 7.242 0.01 1 491 . 49 ASP N N 122.261 0.05 1 492 . 49 ASP CA C 55.063 0.05 1 493 . 49 ASP HA H 5.044 0.01 1 494 . 49 ASP C C 174.72424 0.05 1 495 . 49 ASP CB C 42.038 0.05 1 496 . 49 ASP HB2 H 3.911 0.01 1 497 . 49 ASP HB3 H 3.911 0.01 1 498 . 50 THR H H 8.422 0.01 1 499 . 50 THR N N 116.112 0.05 1 500 . 50 THR CA C 62.292 0.05 1 501 . 50 THR HA H 5.044 0.01 1 502 . 50 THR C C 173.84685 0.05 1 503 . 50 THR CB C 70.744 0.05 1 504 . 50 THR HB H 3.911 0.01 1 505 . 50 THR CG2 C 21.72 0.05 1 506 . 50 THR HG2 H 1.039 0.01 1 507 . 51 VAL H H 9.218 0.01 1 508 . 51 VAL N N 118.27 0.05 1 509 . 51 VAL CA C 58.123 0.05 1 510 . 51 VAL HA H 5.187 0.01 1 511 . 51 VAL C C 173.83543 0.05 1 512 . 51 VAL CB C 34.551 0.05 1 513 . 51 VAL HB H 1.973 0.01 1 514 . 51 VAL CG1 C 18.572 0.05 1 515 . 51 VAL HG1 H 0.67 0.01 1 516 . 51 VAL CG2 C 18.572 0.05 1 517 . 51 VAL HG2 H 0.67 0.01 1 518 . 52 THR H H 8.123 0.01 1 519 . 52 THR N N 117.437 0.05 1 520 . 52 THR CA C 61.535 0.05 1 521 . 52 THR HA H 5.374 0.01 1 522 . 52 THR C C 174.90596 0.05 1 523 . 52 THR CB C 70.076 0.05 1 524 . 52 THR HB H 3.856 0.01 1 525 . 52 THR CG2 C 22.0648 0.05 1 526 . 52 THR HG2 H 1.046 0.01 1 527 . 53 VAL H H 9.536 0.01 1 528 . 53 VAL N N 118.834 0.05 1 529 . 53 VAL CA C 58.465 0.05 1 530 . 53 VAL HA H 5.475 0.01 1 531 . 53 VAL C C 174.94904 0.05 1 532 . 53 VAL CB C 36.142 0.05 1 533 . 53 VAL HB H 2.188 0.01 1 534 . 53 VAL CG1 C 22.343 0.05 1 535 . 53 VAL HG1 H 0.795 0.01 1 536 . 53 VAL CG2 C 20.417 0.05 1 537 . 53 VAL HG2 H 1.126 0.01 1 538 . 54 GLU H H 8.679 0.01 1 539 . 54 GLU N N 119.855 0.05 1 540 . 54 GLU CA C 54.873 0.05 1 541 . 54 GLU HA H 5.007 0.01 1 542 . 54 GLU C C 175.86465 0.05 1 543 . 54 GLU CB C 32.925 0.05 1 544 . 54 GLU HB2 H 2.006 0.01 1 545 . 54 GLU HB3 H 2.006 0.01 1 546 . 54 GLU CG C 37.019 0.05 1 547 . 54 GLU HG2 H 2.556 0.01 1 548 . 54 GLU HG3 H 2.345 0.01 1 549 . 55 TYR H H 8.795 0.01 1 550 . 55 TYR N N 119.472 0.05 1 551 . 55 TYR CA C 56.987 0.05 1 552 . 55 TYR HA H 6.034 0.01 1 553 . 55 TYR C C 173.50824 0.05 1 554 . 55 TYR CB C 42.592 0.05 1 555 . 55 TYR HB2 H 3.064 0.01 1 556 . 55 TYR CD1 C 133 0.05 1 557 . 55 TYR HD1 H 7.017 0.01 1 558 . 55 TYR CD2 C 133 0.05 1 559 . 55 TYR HD2 H 7.017 0.01 1 560 . 55 TYR CE1 C 118.114 0.05 1 561 . 55 TYR HE1 H 6.866 0.01 1 562 . 55 TYR CE2 C 118.114 0.05 1 563 . 55 TYR HE2 H 6.866 0.01 1 564 . 56 THR H H 8.682 0.01 1 565 . 56 THR N N 114.419 0.05 1 566 . 56 THR CA C 62.741 0.05 1 567 . 56 THR HA H 4.652 0.01 1 568 . 56 THR C C 173.57364 0.05 1 569 . 56 THR CB C 72.67 0.05 1 570 . 56 THR HB H 3.987 0.01 1 571 . 56 THR CG2 C 22.823 0.05 1 572 . 56 THR HG2 H 1.263 0.01 1 573 . 57 GLY H H 9.376 0.01 1 574 . 57 GLY N N 116.581 0.05 1 575 . 57 GLY CA C 45.544 0.05 1 576 . 57 GLY HA2 H 4.754 0.01 1 577 . 57 GLY HA3 H 2.517 0.01 1 578 . 57 GLY C C 170.54054 0.05 1 579 . 58 ARG H H 9.54 0.01 1 580 . 58 ARG N N 125.039 0.05 1 581 . 58 ARG CA C 53.507 0.05 1 582 . 58 ARG HA H 5.506 0.01 1 583 . 58 ARG C C 174.60558 0.05 1 584 . 58 ARG CB C 35.286 0.05 1 585 . 58 ARG HB2 H 1.422 0.01 1 586 . 58 ARG HB3 H 1.422 0.01 1 587 . 58 ARG CG C 27.798 0.05 1 588 . 58 ARG HG2 H 1.356 0.01 1 589 . 58 ARG HG3 H 1.448 0.01 1 590 . 58 ARG CD C 44.219 0.05 1 591 . 58 ARG HD2 H 2.912 0.01 1 592 . 58 ARG HD3 H 3.091 0.01 1 593 . 59 LEU H H 8.42 0.01 1 594 . 59 LEU N N 118.343 0.05 1 595 . 59 LEU CA C 52.964 0.05 1 596 . 59 LEU HA H 4.792 0.01 1 597 . 59 LEU CB C 41.938 0.05 1 598 . 59 LEU HB2 H 1.954 0.01 1 599 . 59 LEU HB3 H 1.954 0.01 1 600 . 60 ILE H H 9.476 0.01 1 601 . 60 ILE N N 119.432 0.05 1 602 . 60 ILE CA C 65.291 0.05 1 603 . 60 ILE HA H 3.343 0.01 1 604 . 60 ILE C C 177.16968 0.05 1 605 . 60 ILE CB C 41.918 0.05 1 606 . 60 ILE HB H 1.563 0.01 1 607 . 60 ILE CG2 C 17.4162 0.05 1 608 . 60 ILE HG2 H 0.548 0.01 1 609 . 60 ILE CG1 C 15.502 0.05 1 610 . 60 ILE HG12 H 0.809 0.01 1 611 . 60 ILE HG13 H 0.809 0.01 1 612 . 60 ILE CD1 C 17.4162 0.05 1 613 . 60 ILE HD1 H 0.548 0.01 1 614 . 61 ASP H H 7.554 0.01 1 615 . 61 ASP N N 116.748 0.05 1 616 . 61 ASP CA C 53.561 0.05 1 617 . 61 ASP HA H 4.448 0.01 1 618 . 61 ASP C C 177.0471 0.05 1 619 . 61 ASP CB C 39.955 0.05 1 620 . 61 ASP HB2 H 3.081 0.01 1 621 . 61 ASP HB3 H 3.081 0.01 1 622 . 62 GLY H H 8.055 0.01 1 623 . 62 GLY N N 108.65 0.05 1 624 . 62 GLY CA C 44.803 0.05 1 625 . 62 GLY HA2 H 4.44 0.01 1 626 . 62 GLY HA3 H 3.574 0.01 1 627 . 62 GLY C C 174.65828 0.05 1 628 . 63 THR H H 8.19 0.01 1 629 . 63 THR N N 118.926 0.05 1 630 . 63 THR CA C 64.752 0.05 1 631 . 63 THR HA H 4.063 0.01 1 632 . 63 THR C C 174.21678 0.05 1 633 . 63 THR CB C 69.147 0.05 1 634 . 63 THR HB H 3.843 0.01 1 635 . 63 THR CG2 C 20.497 0.05 1 636 . 63 THR HG2 H 1.153 0.01 1 637 . 64 VAL H H 8.845 0.01 1 638 . 64 VAL N N 129.783 0.05 1 639 . 64 VAL CA C 62.655 0.05 1 640 . 64 VAL HA H 4.32 0.01 1 641 . 64 VAL C C 176.5182 0.05 1 642 . 64 VAL CB C 32.232 0.05 1 643 . 64 VAL HB H 2.017 0.01 1 644 . 64 VAL CG1 C 21.38 0.05 1 645 . 64 VAL HG1 H 1.2445 0.01 1 646 . 64 VAL CG2 C 21.38 0.05 1 647 . 64 VAL HG2 H 0.906 0.01 1 648 . 65 PHE H H 8.206 0.01 1 649 . 65 PHE N N 124.051 0.05 1 650 . 65 PHE CA C 55.93 0.05 1 651 . 65 PHE HA H 5.072 0.01 1 652 . 65 PHE C C 174.5551 0.05 1 653 . 65 PHE CB C 40.824 0.05 1 654 . 65 PHE HB2 H 3.41 0.01 1 655 . 65 PHE HB3 H 2.493 0.01 1 656 . 65 PHE CD1 C 132.595 0.05 1 657 . 65 PHE HD1 H 7.061 0.01 2 658 . 65 PHE CD2 C 132.595 0.05 1 659 . 65 PHE HD2 H 7.352 0.01 2 660 . 65 PHE CE1 C 131.53 0.05 1 661 . 65 PHE HE1 H 7.352 0.01 2 662 . 65 PHE CE2 C 131.53 0.05 1 663 . 65 PHE HE2 H 7.061 0.01 2 664 . 65 PHE CZ C 130.544 0.05 1 665 . 65 PHE HZ H 6.831 0.01 1 666 . 66 ASP H H 6.948 0.01 1 667 . 66 ASP N N 120.44 0.05 1 668 . 66 ASP CA C 54.682 0.05 1 669 . 66 ASP HA H 4.884 0.01 1 670 . 66 ASP C C 174.19629 0.05 1 671 . 66 ASP CB C 44.067 0.05 1 672 . 66 ASP HB2 H 3.338 0.01 1 673 . 66 ASP HB3 H 2.479 0.01 1 674 . 67 SER H H 8.228 0.01 1 675 . 67 SER N N 116.903 0.05 1 676 . 67 SER CA C 56.871 0.05 1 677 . 67 SER HA H 4.848 0.01 1 678 . 67 SER C C 175.2049 0.05 1 679 . 67 SER CB C 64.617 0.05 1 680 . 67 SER HB2 H 4.263 0.01 1 681 . 67 SER HB3 H 3.962 0.01 1 682 . 68 THR H H 8.693 0.01 1 683 . 68 THR N N 117.098 0.05 1 684 . 68 THR CA C 68.344 0.05 1 685 . 68 THR HA H 4.407 0.01 1 686 . 68 THR C C 176.93398 0.05 1 687 . 68 THR CB C 63.609 0.05 1 688 . 68 THR HB H 4.645 0.01 1 689 . 68 THR CG2 C 24.427 0.05 1 690 . 68 THR HG2 H 1.351 0.01 1 691 . 69 GLU H H 8.516 0.01 1 692 . 69 GLU N N 123.168 0.05 1 693 . 69 GLU CA C 58.716 0.05 1 694 . 69 GLU HA H 4.024 0.01 1 695 . 69 GLU C C 178.15234 0.05 1 696 . 69 GLU CB C 29.504 0.05 1 697 . 69 GLU HB2 H 1.959 0.01 1 698 . 69 GLU HB3 H 1.959 0.01 1 699 . 69 GLU CG C 36.458 0.05 1 700 . 69 GLU HG2 H 2.152 0.01 1 701 . 69 GLU HG3 H 2.265 0.01 1 702 . 70 LYS H H 7.531 0.01 1 703 . 70 LYS N N 117.357 0.05 1 704 . 70 LYS CA C 58.62 0.05 1 705 . 70 LYS HA H 4.133 0.01 1 706 . 70 LYS C C 178.01584 0.05 1 707 . 70 LYS CB C 32.097 0.05 1 708 . 70 LYS HB2 H 1.98 0.01 1 709 . 70 LYS HB3 H 1.98 0.01 1 710 . 70 LYS CG C 24.989 0.05 1 711 . 70 LYS HG2 H 1.497 0.01 1 712 . 70 LYS HG3 H 1.497 0.01 1 713 . 70 LYS CD C 28.437 0.05 1 714 . 70 LYS HD2 H 1.763 0.01 1 715 . 70 LYS HD3 H 1.763 0.01 1 716 . 70 LYS CE C 42.032 0.05 1 717 . 70 LYS HE2 H 3.014 0.01 1 718 . 70 LYS HE3 H 3.014 0.01 1 719 . 71 THR H H 7.568 0.01 1 720 . 71 THR N N 107.764 0.05 1 721 . 71 THR CA C 69.339 0.05 1 722 . 71 THR HA H 4.394 0.01 1 723 . 71 THR C C 176.46736 0.05 1 724 . 71 THR CB C 62.339 0.05 1 725 . 71 THR HB H 4.394 0.01 1 726 . 71 THR CG2 C 21.791 0.05 1 727 . 71 THR HG2 H 1.312 0.01 1 728 . 72 GLY H H 8.089 0.01 1 729 . 72 GLY N N 110.077 0.05 1 730 . 72 GLY CA C 45.778 0.05 1 731 . 72 GLY HA2 H 4.135 0.01 1 732 . 72 GLY HA3 H 3.797 0.01 1 733 . 72 GLY C C 173.34258 0.05 1 734 . 73 LYS H H 7.712 0.01 1 735 . 73 LYS N N 119.591 0.05 1 736 . 73 LYS CA C 53.247 0.05 1 737 . 73 LYS HA H 4.868 0.01 1 738 . 73 LYS CB C 33.903 0.05 1 739 . 73 LYS HB2 H 1.859 0.01 1 740 . 73 LYS HB3 H 1.658 0.01 1 741 . 73 LYS CG C 29.4929 0.05 1 742 . 73 LYS HG2 H 1.71 0.01 1 743 . 73 LYS HG3 H 1.71 0.01 1 744 . 73 LYS CD C 23.979 0.05 1 745 . 73 LYS HD2 H 1.41 0.01 1 746 . 73 LYS HD3 H 1.41 0.01 1 747 . 73 LYS CE C 42.306 0.05 1 748 . 73 LYS HE2 H 3.012 0.01 1 749 . 73 LYS HE3 H 3.012 0.01 1 750 . 74 PRO CA C 62.651 0.05 1 751 . 74 PRO HA H 4.516 0.01 1 752 . 74 PRO C C 175.29884 0.05 1 753 . 74 PRO CB C 32.864 0.05 1 754 . 74 PRO HB2 H 2.024 0.01 1 755 . 74 PRO HB3 H 1.68 0.01 1 756 . 74 PRO CG C 26.914 0.05 1 757 . 74 PRO HG2 H 1.85 0.01 1 758 . 74 PRO HG3 H 1.85 0.01 1 759 . 74 PRO CD C 50.5086 0.05 1 760 . 74 PRO HD2 H 3.555 0.01 1 761 . 74 PRO HD3 H 3.856 0.01 1 762 . 75 ALA H H 8.915 0.01 1 763 . 75 ALA N N 124.932 0.05 1 764 . 75 ALA CA C 50.822 0.05 1 765 . 75 ALA HA H 4.775 0.01 1 766 . 75 ALA C C 175.82207 0.05 1 767 . 75 ALA CB C 22.913 0.05 1 768 . 75 ALA HB H 1.534 0.01 1 769 . 76 THR H H 8.155 0.01 1 770 . 76 THR N N 116.502 0.05 1 771 . 76 THR CA C 60.73 0.05 1 772 . 76 THR HA H 5.579 0.01 1 773 . 76 THR C C 173.97755 0.05 1 774 . 76 THR CB C 71.032 0.05 1 775 . 76 THR HB H 3.74 0.01 1 776 . 76 THR CG2 C 21.62 0.05 1 777 . 76 THR HG2 H 1.027 0.01 1 778 . 77 PHE H H 8.667 0.01 1 779 . 77 PHE N N 121.317 0.05 1 780 . 77 PHE CA C 55.951 0.05 1 781 . 77 PHE HA H 4.996 0.01 1 782 . 77 PHE C C 174.22626 0.05 1 783 . 77 PHE CB C 43.035 0.05 1 784 . 77 PHE HB2 H 3.148 0.01 1 785 . 77 PHE HB3 H 2.485 0.01 1 786 . 77 PHE CD1 C 132.239 0.05 1 787 . 77 PHE HD1 H 6.978 0.01 1 788 . 77 PHE CD2 C 132.239 0.05 1 789 . 77 PHE HD2 H 6.978 0.01 1 790 . 77 PHE CE1 C 131.15 0.05 1 791 . 77 PHE HE1 H 7.055 0.01 1 792 . 77 PHE CE2 C 131.15 0.05 1 793 . 77 PHE HE2 H 7.055 0.01 1 794 . 77 PHE CZ C 131.69 0.05 1 795 . 77 PHE HZ H 7.356 0.01 1 796 . 78 GLN H H 8.997 0.01 1 797 . 78 GLN N N 121.559 0.05 1 798 . 78 GLN CA C 55.794 0.05 1 799 . 78 GLN HA H 4.946 0.01 1 800 . 78 GLN C C 177.78264 0.05 1 801 . 78 GLN CB C 29.379 0.05 1 802 . 78 GLN HB2 H 2.135 0.01 1 803 . 78 GLN HB3 H 1.875 0.01 1 804 . 78 GLN CG C 34.693 0.05 1 805 . 78 GLN HG2 H 2.371 0.01 1 806 . 78 GLN HG3 H 2.371 0.01 1 807 . 78 GLN NE2 N 111.408 0.05 1 808 . 78 GLN HE21 H 6.822 0.01 1 809 . 78 GLN HE22 H 7.45 0.01 1 810 . 79 VAL H H 8.482 0.01 1 811 . 79 VAL N N 126.148 0.05 1 812 . 79 VAL CA C 67.125 0.05 1 813 . 79 VAL HA H 4.048 0.01 1 814 . 79 VAL C C 175.14273 0.05 1 815 . 79 VAL CB C 31.858 0.05 1 816 . 79 VAL HB H 1.876 0.01 1 817 . 79 VAL CG1 C 25.39 0.05 1 818 . 79 VAL HG1 H 0.636 0.01 1 819 . 79 VAL CG2 C 23.545 0.05 1 820 . 79 VAL HG2 H 0.497 0.01 1 821 . 80 SER H H 7.964 0.01 1 822 . 80 SER N N 110.224 0.05 1 823 . 80 SER CA C 59.232 0.05 1 824 . 80 SER HA H 4.311 0.01 1 825 . 80 SER C C 175.21249 0.05 1 826 . 80 SER CB C 63.229 0.05 1 827 . 80 SER HB2 H 3.973 0.01 1 828 . 80 SER HB3 H 3.973 0.01 1 829 . 81 GLN H H 7.882 0.01 1 830 . 81 GLN N N 119.885 0.05 1 831 . 81 GLN CA C 55.443 0.05 1 832 . 81 GLN HA H 4.551 0.01 1 833 . 81 GLN C C 175.39461 0.05 1 834 . 81 GLN CB C 29.427 0.05 1 835 . 81 GLN HB2 H 2.028 0.01 1 836 . 81 GLN HB3 H 2.028 0.01 1 837 . 81 GLN CG C 34.052 0.05 1 838 . 81 GLN HG2 H 2.371 0.01 1 839 . 81 GLN HG3 H 2.371 0.01 1 840 . 81 GLN NE2 N 112.477 0.05 1 841 . 81 GLN HE21 H 6.827 0.01 1 842 . 81 GLN HE22 H 7.445 0.01 1 843 . 82 VAL H H 6.53 0.01 1 844 . 82 VAL N N 111.316 0.05 1 845 . 82 VAL CA C 59.372 0.05 1 846 . 82 VAL HA H 4.27 0.01 1 847 . 82 VAL C C 174.47787 0.05 1 848 . 82 VAL CB C 33.898 0.05 1 849 . 82 VAL HB H 1.714 0.01 1 850 . 82 VAL CG1 C 22.823 0.05 1 851 . 82 VAL HG1 H 0.234 0.01 1 852 . 82 VAL CG2 C 19.134 0.05 1 853 . 82 VAL HG2 H 0.833 0.01 1 854 . 83 ILE H H 7.142 0.01 1 855 . 83 ILE N N 110.56 0.05 1 856 . 83 ILE CA C 60.734 0.05 1 857 . 83 ILE HA H 4.153 0.01 1 858 . 83 ILE CB C 36.035 0.05 1 859 . 83 ILE HB H 1.954 0.01 1 860 . 84 PRO CA C 66.262 0.05 1 861 . 84 PRO HA H 4.361 0.01 1 862 . 84 PRO C C 180.21199 0.05 1 863 . 84 PRO CB C 32.273 0.05 1 864 . 84 PRO HB2 H 2.496 0.01 1 865 . 84 PRO HB3 H 2.496 0.01 1 866 . 84 PRO CG C 27.956 0.05 1 867 . 84 PRO HG2 H 2.21 0.01 1 868 . 84 PRO HG3 H 2.21 0.01 1 869 . 84 PRO CD C 56.91 0.05 1 870 . 85 GLY H H 9.52 0.01 1 871 . 85 GLY N N 126.855 0.05 1 872 . 85 GLY CA C 48.064 0.05 1 873 . 85 GLY HA2 H 4.072 0.01 1 874 . 85 GLY HA3 H 3.614 0.01 1 875 . 85 GLY C C 174.93222 0.05 1 876 . 86 TRP H H 7.7 0.01 1 877 . 86 TRP N N 118.706 0.05 1 878 . 86 TRP CA C 60.763 0.05 1 879 . 86 TRP HA H 4.081 0.01 1 880 . 86 TRP C C 176.98457 0.05 1 881 . 86 TRP CB C 28.721 0.05 1 882 . 86 TRP HB2 H 3.196 0.01 1 883 . 86 TRP HB3 H 2.862 0.01 1 884 . 86 TRP CD1 C 120.9139 0.05 1 885 . 86 TRP HD1 H 6.207 0.01 1 886 . 86 TRP HE1 H 5.16 0.01 1 887 . 86 TRP CE3 C 133.079 0.05 1 888 . 86 TRP HE3 H 7.12 0.01 1 889 . 86 TRP CZ2 C 113.078 0.05 1 890 . 86 TRP HZ2 H 6.195 0.01 1 891 . 86 TRP CZ3 C 132.464 0.05 1 892 . 86 TRP HZ3 H 7.003 0.01 1 893 . 86 TRP CH2 C 123.712 0.05 1 894 . 86 TRP HH2 H 5.616 0.01 1 895 . 87 THR H H 8.323 0.01 1 896 . 87 THR N N 118.069 0.05 1 897 . 87 THR CA C 69.013 0.05 1 898 . 87 THR HA H 4.026 0.01 1 899 . 87 THR C C 175.89607 0.05 1 900 . 87 THR CB C 67.491 0.05 1 901 . 87 THR HB H 3.664 0.01 1 902 . 87 THR CG2 C 22.422 0.05 1 903 . 87 THR HG2 H 1.136 0.01 1 904 . 88 GLU H H 7.933 0.01 1 905 . 88 GLU N N 118.447 0.05 1 906 . 88 GLU CA C 59.371 0.05 1 907 . 88 GLU HA H 3.88 0.01 1 908 . 88 GLU C C 177.93817 0.05 1 909 . 88 GLU CB C 29.472 0.05 1 910 . 88 GLU HB2 H 1.959 0.01 1 911 . 88 GLU HB3 H 1.959 0.01 1 912 . 88 GLU CG C 36.297 0.05 1 913 . 88 GLU HG2 H 2.263 0.01 1 914 . 88 GLU HG3 H 1.915 0.01 1 915 . 89 ALA H H 7.443 0.01 1 916 . 89 ALA N N 118.557 0.05 1 917 . 89 ALA CA C 55.392 0.05 1 918 . 89 ALA HA H 3.743 0.01 1 919 . 89 ALA C C 179.19522 0.05 1 920 . 89 ALA CB C 18.948 0.05 1 921 . 89 ALA HB H 1.367 0.01 1 922 . 90 LEU H H 8.812 0.01 1 923 . 90 LEU N N 113.562 0.05 1 924 . 90 LEU CA C 57.923 0.05 1 925 . 90 LEU HA H 3.569 0.01 1 926 . 90 LEU C C 177.9798 0.05 1 927 . 90 LEU CB C 42.15 0.05 1 928 . 90 LEU HB2 H 1.8 0.01 1 929 . 90 LEU HB3 H 0.933 0.01 1 930 . 90 LEU CG C 27.395 0.05 1 931 . 90 LEU CD1 C 23.786 0.05 1 932 . 90 LEU HD1 H 0.649 0.01 1 933 . 90 LEU CD2 C 23.786 0.05 1 934 . 90 LEU HD2 H 0.649 0.01 1 935 . 90 LEU HG H 0.858 0.01 1 936 . 91 GLN H H 6.314 0.01 1 937 . 91 GLN N N 108.771 0.05 1 938 . 91 GLN CA C 57.391 0.05 1 939 . 91 GLN HA H 4.321 0.01 1 940 . 91 GLN C C 176.29134 0.05 1 941 . 91 GLN CB C 31.673 0.05 1 942 . 91 GLN HB2 H 2.298 0.01 1 943 . 91 GLN HB3 H 1.771 0.01 1 944 . 92 LEU H H 7.355 0.01 1 945 . 92 LEU N N 117.145 0.05 1 946 . 92 LEU CA C 54.204 0.05 1 947 . 92 LEU HA H 4.245 0.01 1 948 . 92 LEU C C 176.29134 0.05 1 949 . 92 LEU CB C 43.927 0.05 1 950 . 92 LEU HB2 H 1.988 0.01 1 951 . 92 LEU HB3 H 1.688 0.01 1 952 . 92 LEU CG C 22.6117 0.05 1 953 . 92 LEU CD1 C 26.4382 0.05 1 954 . 92 LEU HD1 H 0.891 0.01 1 955 . 92 LEU CD2 C 26.4382 0.05 1 956 . 92 LEU HD2 H 0.998 0.01 1 957 . 92 LEU HG H 0.891 0.01 1 958 . 93 MET H H 6.939 0.01 1 959 . 93 MET N N 120.937 0.05 1 960 . 93 MET CA C 54.228 0.05 1 961 . 93 MET HA H 3.578 0.01 1 962 . 93 MET C C 176.1199 0.05 1 963 . 93 MET CB C 35.376 0.05 1 964 . 93 MET HB2 H 1.419 0.01 1 965 . 93 MET HB3 H 1.004 0.01 1 966 . 93 MET CG C 30.273 0.05 1 967 . 93 MET HG2 H 1.251 0.01 1 968 . 93 MET HG3 H -0.469 0.01 1 969 . 94 PRO CA C 61.615 0.05 1 970 . 94 PRO HA H 3.873 0.01 1 971 . 94 PRO C C 180.50824 0.05 1 972 . 94 PRO CB C 32.82 0.05 1 973 . 94 PRO HB2 H 2.435 0.01 1 974 . 94 PRO HB3 H 1.265 0.01 1 975 . 94 PRO CG C 28.357 0.05 1 976 . 94 PRO HG2 H 2.074 0.01 1 977 . 94 PRO HG3 H 1.774 0.01 1 978 . 94 PRO CD C 50.2351 0.05 1 979 . 94 PRO HD2 H 3.033 0.01 1 980 . 94 PRO HD3 H 3.033 0.01 1 981 . 95 ALA H H 8.628 0.01 1 982 . 95 ALA N N 129.123 0.05 1 983 . 95 ALA CA C 54.781 0.05 1 984 . 95 ALA HA H 3.634 0.01 1 985 . 95 ALA C C 176.39346 0.05 1 986 . 95 ALA CB C 17.197 0.05 1 987 . 95 ALA HB H 1.345 0.01 1 988 . 96 GLY H H 8.671 0.01 1 989 . 96 GLY N N 109.71 0.05 1 990 . 96 GLY CA C 44.648 0.05 1 991 . 96 GLY HA2 H 4.638 0.01 1 992 . 96 GLY HA3 H 3.959 0.01 1 993 . 96 GLY C C 175.57172 0.05 1 994 . 97 SER H H 7.797 0.01 1 995 . 97 SER N N 116.57 0.05 1 996 . 97 SER CA C 59.157 0.05 1 997 . 97 SER HA H 4.718 0.01 1 998 . 97 SER C C 173.13441 0.05 1 999 . 97 SER CB C 64.788 0.05 1 1000 . 97 SER HB2 H 4.14 0.01 1 1001 . 97 SER HB3 H 3.512 0.01 1 1002 . 98 THR H H 9.35 0.01 1 1003 . 98 THR N N 118.424 0.05 1 1004 . 98 THR CA C 62.131 0.05 1 1005 . 98 THR HA H 5.779 0.01 1 1006 . 98 THR C C 173.63892 0.05 1 1007 . 98 THR CB C 70.044 0.05 1 1008 . 98 THR HB H 3.967 0.01 1 1009 . 98 THR CG2 C 20.176 0.05 1 1010 . 98 THR HG2 H 1.052 0.01 1 1011 . 99 TRP H H 9.321 0.01 1 1012 . 99 TRP N N 129.295 0.05 1 1013 . 99 TRP CA C 54.412 0.05 1 1014 . 99 TRP HA H 5.642 0.01 1 1015 . 99 TRP C C 174.4332 0.05 1 1016 . 99 TRP CB C 34.598 0.05 1 1017 . 99 TRP HB2 H 3.28 0.01 1 1018 . 99 TRP HB3 H 2.984 0.01 1 1019 . 99 TRP CD1 C 120.653 0.05 1 1020 . 99 TRP HD1 H 7.217 0.01 1 1021 . 99 TRP HE1 H 10.574 0.01 1 1022 . 99 TRP CE3 C 119.62 0.05 1 1023 . 99 TRP HE3 H 6.664 0.01 1 1024 . 99 TRP CZ2 C 112.505 0.05 1 1025 . 99 TRP HZ2 H 7.2 0.01 1 1026 . 99 TRP CZ3 C 121.529 0.05 1 1027 . 99 TRP HZ3 H 5.692 0.01 1 1028 . 99 TRP CH2 C 126.211 0.05 1 1029 . 99 TRP HH2 H 6.48 0.01 1 1030 . 100 GLU H H 9.354 0.01 1 1031 . 100 GLU N N 122.665 0.05 1 1032 . 100 GLU CA C 55.458 0.05 1 1033 . 100 GLU HA H 5.512 0.01 1 1034 . 100 GLU C C 174.52815 0.05 1 1035 . 100 GLU CB C 33.039 0.05 1 1036 . 100 GLU HB2 H 2.096 0.01 1 1037 . 100 GLU HB3 H 1.749 0.01 1 1038 . 100 GLU CG C 35.752 0.05 1 1039 . 100 GLU HG2 H 1.942 0.01 1 1040 . 100 GLU HG3 H 1.678 0.01 1 1041 . 101 ILE H H 9.378 0.01 1 1042 . 101 ILE N N 118.744 0.05 1 1043 . 101 ILE CA C 59.038 0.05 1 1044 . 101 ILE HA H 5.238 0.01 1 1045 . 101 ILE CB C 41.121 0.05 1 1046 . 101 ILE HB H 1.93 0.01 1 1047 . 101 ILE CG2 C 17.9661 0.05 1 1048 . 101 ILE HG2 H 1.052 0.01 1 1049 . 101 ILE CG1 C 27.475 0.05 1 1050 . 101 ILE HG12 H 1.684 0.01 1 1051 . 101 ILE HG13 H 1.684 0.01 1 1052 . 101 ILE CD1 C 14.682 0.05 1 1053 . 101 ILE HD1 H 0.513 0.01 1 1054 . 102 TYR H H 9.087 0.01 1 1055 . 102 TYR N N 124.555 0.05 1 1056 . 102 TYR CA C 55.833 0.05 1 1057 . 102 TYR HA H 5.122 0.01 1 1058 . 102 TYR C C 174.35524 0.05 1 1059 . 102 TYR CB C 38.081 0.05 1 1060 . 102 TYR HB2 H 3.172 0.01 1 1061 . 102 TYR HB3 H 2.753 0.01 1 1062 . 102 TYR CD1 C 134.262 0.05 1 1063 . 102 TYR HD1 H 7.04 0.01 1 1064 . 102 TYR CD2 C 134.262 0.05 1 1065 . 102 TYR HD2 H 7.04 0.01 1 1066 . 102 TYR CE1 C 120.7341 0.05 1 1067 . 102 TYR HE1 H 6.817 0.01 1 1068 . 102 TYR CE2 C 120.7341 0.05 1 1069 . 102 TYR HE2 H 6.817 0.01 1 1070 . 103 VAL H H 9.759 0.01 1 1071 . 103 VAL N N 123.852 0.05 1 1072 . 103 VAL CA C 60.031 0.05 1 1073 . 103 VAL HA H 4.627 0.01 1 1074 . 103 VAL CB C 33.844 0.05 1 1075 . 103 VAL HB H 2.507 0.01 1 1076 . 103 VAL CG1 C 25.0728 0.05 1 1077 . 103 VAL HG1 H 1.115 0.01 1 1078 . 103 VAL CG2 C 25.0728 0.05 1 1079 . 103 VAL HG2 H 1.115 0.01 1 1080 . 104 PRO CA C 62.344 0.05 1 1081 . 104 PRO HA H 4.631 0.01 1 1082 . 104 PRO C C 178.39355 0.05 1 1083 . 104 PRO CB C 32.547 0.05 1 1084 . 104 PRO HB2 H 2.508 0.01 1 1085 . 104 PRO HB3 H 1.937 0.01 1 1086 . 104 PRO CG C 27.876 0.05 1 1087 . 104 PRO HG2 H 2.05 0.01 1 1088 . 104 PRO HG3 H 2.05 0.01 1 1089 . 104 PRO CD C 51.456 0.05 1 1090 . 104 PRO HD2 H 4.566 0.01 1 1091 . 104 PRO HD3 H 3.731 0.01 1 1092 . 105 SER H H 8.46 0.01 1 1093 . 105 SER N N 118.64 0.05 1 1094 . 105 SER CA C 62.29 0.05 1 1095 . 105 SER HA H 4.147 0.01 1 1096 . 105 SER C C 178.56433 0.05 1 1097 . 105 SER CB C 63 0.05 1 1098 . 105 SER HB2 H 3.678 0.01 1 1099 . 105 SER HB3 H 3.502 0.01 1 1100 . 106 GLY H H 8.883 0.01 1 1101 . 106 GLY N N 110.574 0.05 1 1102 . 106 GLY CA C 46.379 0.05 1 1103 . 106 GLY HA2 H 3.952 0.01 1 1104 . 106 GLY HA3 H 3.952 0.01 1 1105 . 106 GLY C C 175.23428 0.05 1 1106 . 107 LEU H H 7.962 0.01 1 1107 . 107 LEU N N 119.163 0.05 1 1108 . 107 LEU CA C 53.606 0.05 1 1109 . 107 LEU HA H 4.58 0.01 1 1110 . 107 LEU C C 174.45204 0.05 1 1111 . 107 LEU CB C 42.538 0.05 1 1112 . 107 LEU HB2 H 1.715 0.01 1 1113 . 107 LEU HB3 H 1.552 0.01 1 1114 . 107 LEU CG C 27.074 0.05 1 1115 . 107 LEU CD1 C 22.903 0.05 1 1116 . 107 LEU HD1 H 0.891 0.01 1 1117 . 107 LEU CD2 C 22.903 0.05 1 1118 . 107 LEU HD2 H 0.891 0.01 1 1119 . 107 LEU HG H 1.649 0.01 1 1120 . 108 ALA H H 7.765 0.01 1 1121 . 108 ALA N N 126.106 0.05 1 1122 . 108 ALA CA C 51.086 0.05 1 1123 . 108 ALA HA H 4.431 0.01 1 1124 . 108 ALA C C 175.32585 0.05 1 1125 . 108 ALA CB C 18.686 0.05 1 1126 . 108 ALA HB H 1.374 0.01 1 1127 . 109 TYR H H 9.172 0.01 1 1128 . 109 TYR N N 122.149 0.05 1 1129 . 109 TYR CA C 58.661 0.05 1 1130 . 109 TYR HA H 4.586 0.01 1 1131 . 109 TYR C C 176.34038 0.05 1 1132 . 109 TYR CB C 38.19 0.05 1 1133 . 109 TYR HB2 H 3.183 0.01 1 1134 . 109 TYR HB3 H 2.885 0.01 1 1135 . 109 TYR CD1 C 133.12 0.05 1 1136 . 109 TYR HD1 H 7.139 0.01 1 1137 . 109 TYR CD2 C 133.12 0.05 1 1138 . 109 TYR HD2 H 7.139 0.01 1 1139 . 109 TYR CE1 C 117.821 0.05 1 1140 . 109 TYR HE1 H 6.608 0.01 1 1141 . 109 TYR CE2 C 117.821 0.05 1 1142 . 109 TYR HE2 H 6.608 0.01 1 1143 . 110 GLY H H 8.414 0.01 1 1144 . 110 GLY N N 109.732 0.05 1 1145 . 110 GLY CA C 45.337 0.05 1 1146 . 110 GLY HA2 H 3.797 0.01 1 1147 . 110 GLY HA3 H 3.797 0.01 1 1148 . 111 PRO CA C 63.802 0.05 1 1149 . 111 PRO HA H 4.413 0.01 1 1150 . 111 PRO C C 175.49272 0.05 1 1151 . 111 PRO CB C 31.909 0.05 1 1152 . 111 PRO HB2 H 2.295 0.01 1 1153 . 111 PRO HB3 H 2.166 0.01 1 1154 . 111 PRO CG C 27.2603 0.05 1 1155 . 111 PRO HG2 H 1.85 0.01 1 1156 . 111 PRO HG3 H 1.85 0.01 1 1157 . 111 PRO CD C 50.2351 0.05 1 1158 . 111 PRO HD2 H 3.674 0.01 1 1159 . 111 PRO HD3 H 3.832 0.01 1 1160 . 112 ARG H H 7.527 0.01 1 1161 . 112 ARG N N 120.13 0.05 1 1162 . 112 ARG CA C 56.048 0.05 1 1163 . 112 ARG HA H 4.31 0.01 1 1164 . 112 ARG C C 174.81747 0.05 1 1165 . 112 ARG CB C 31.57 0.05 1 1166 . 112 ARG HB2 H 1.834 0.01 1 1167 . 112 ARG HB3 H 1.834 0.01 1 1168 . 112 ARG CG C 27.475 0.05 1 1169 . 112 ARG HG2 H 1.567 0.01 1 1170 . 112 ARG HG3 H 1.637 0.01 1 1171 . 112 ARG CD C 43.676 0.05 1 1172 . 112 ARG HD2 H 3.212 0.01 1 1173 . 112 ARG HD3 H 3.212 0.01 1 1174 . 113 SER H H 8.179 0.01 1 1175 . 113 SER N N 115.808 0.05 1 1176 . 113 SER CA C 63.396 0.05 1 1177 . 113 SER HA H 4.315 0.01 1 1178 . 113 SER C C 174.92102 0.05 1 1179 . 113 SER CB C 57.166 0.05 1 1180 . 113 SER HB2 H 3.762 0.01 1 1181 . 113 SER HB3 H 3.696 0.01 1 1182 . 114 VAL H H 7.516 0.01 1 1183 . 114 VAL N N 121.556 0.05 1 1184 . 114 VAL CA C 62.331 0.05 1 1185 . 114 VAL HA H 4.059 0.01 1 1186 . 114 VAL C C 175.88304 0.05 1 1187 . 114 VAL CB C 32.44 0.05 1 1188 . 114 VAL HB H 1.872 0.01 1 1189 . 114 VAL CG1 C 20.738 0.05 1 1190 . 114 VAL HG1 H 0.598 0.01 1 1191 . 114 VAL CG2 C 20.738 0.05 1 1192 . 114 VAL HG2 H 0.451 0.01 1 1193 . 115 GLY H H 7.943 0.01 1 1194 . 115 GLY N N 109.913 0.05 1 1195 . 115 GLY CA C 44.493 0.05 1 1196 . 115 GLY HA2 H 4.245 0.01 1 1197 . 115 GLY HA3 H 3.703 0.01 1 1198 . 115 GLY C C 174.21417 0.05 1 1199 . 116 GLY H H 8.437 0.01 1 1200 . 116 GLY N N 110.211 0.05 1 1201 . 116 GLY CA C 44.713 0.05 1 1202 . 117 PRO CA C 63.802 0.05 1 1203 . 117 PRO HA H 4.491 0.01 1 1204 . 117 PRO C C 175.53809 0.05 1 1205 . 117 PRO CB C 32.547 0.05 1 1206 . 117 PRO HB2 H 2.308 0.01 1 1207 . 117 PRO HB3 H 1.908 0.01 1 1208 . 117 PRO CG C 26.833 0.05 1 1209 . 117 PRO HG2 H 1.842 0.01 1 1210 . 117 PRO HG3 H 1.842 0.01 1 1211 . 117 PRO CD C 50.2351 0.05 1 1212 . 117 PRO HD2 H 3.828 0.01 1 1213 . 117 PRO HD3 H 3.828 0.01 1 1214 . 118 ILE H H 7.198 0.01 1 1215 . 118 ILE N N 117.79 0.05 1 1216 . 118 ILE CA C 61.661 0.05 1 1217 . 118 ILE HA H 3.738 0.01 1 1218 . 118 ILE C C 175.89188 0.05 1 1219 . 118 ILE CB C 37.742 0.05 1 1220 . 118 ILE HB H 1.598 0.01 1 1221 . 118 ILE CG2 C 18.332 0.05 1 1222 . 118 ILE HG2 H 0.832 0.01 1 1223 . 118 ILE CG1 C 27.555 0.05 1 1224 . 118 ILE HG12 H 1.032 0.01 1 1225 . 118 ILE HG13 H 1.032 0.01 1 1226 . 118 ILE CD1 C 12.878 0.05 1 1227 . 118 ILE HD1 H 0.07 0.01 1 1228 . 119 GLY H H 9.242 0.01 1 1229 . 119 GLY N N 119.086 0.05 1 1230 . 119 GLY CA C 44.037 0.05 1 1231 . 119 GLY HA2 H 4.409 0.01 1 1232 . 119 GLY HA3 H 3.72 0.01 1 1233 . 120 PRO CA C 62.617 0.05 1 1234 . 120 PRO HA H 4.215 0.01 1 1235 . 120 PRO C C 176.82851 0.05 1 1236 . 120 PRO CB C 32.729 0.05 1 1237 . 120 PRO HB2 H 1.642 0.01 1 1238 . 120 PRO HB3 H 2.156 0.01 1 1239 . 120 PRO CG C 27.074 0.05 1 1240 . 120 PRO HG2 H 2.018 0.01 1 1241 . 120 PRO HG3 H 1.879 0.01 1 1242 . 120 PRO CD C 49.1413 0.05 1 1243 . 120 PRO HD2 H 3.558 0.01 1 1244 . 120 PRO HD3 H 3.437 0.01 1 1245 . 121 ASN H H 8.553 0.01 1 1246 . 121 ASN N N 116.007 0.05 1 1247 . 121 ASN CA C 53.912 0.05 1 1248 . 121 ASN HA H 4.09 0.01 1 1249 . 121 ASN C C 173.5531 0.05 1 1250 . 121 ASN CB C 36.83 0.05 1 1251 . 121 ASN HB2 H 3.115 0.01 1 1252 . 121 ASN HB3 H 2.85 0.01 1 1253 . 121 ASN ND2 N 114.469 0.05 1 1254 . 121 ASN HD21 H 7.271 0.01 1 1255 . 121 ASN HD22 H 7.305 0.01 1 1256 . 122 GLU H H 8.058 0.01 1 1257 . 122 GLU N N 119.952 0.05 1 1258 . 122 GLU CA C 56.878 0.05 1 1259 . 122 GLU HA H 4.448 0.01 1 1260 . 122 GLU C C 176.62216 0.05 1 1261 . 122 GLU CB C 31.105 0.05 1 1262 . 122 GLU HB2 H 1.907 0.01 1 1263 . 122 GLU HB3 H 1.907 0.01 1 1264 . 122 GLU CG C 36.698 0.05 1 1265 . 122 GLU HG2 H 2.069 0.01 1 1266 . 122 GLU HG3 H 1.914 0.01 1 1267 . 123 THR H H 8.767 0.01 1 1268 . 123 THR N N 126.54 0.05 1 1269 . 123 THR CA C 67.716 0.05 1 1270 . 123 THR HA H 4.545 0.01 1 1271 . 123 THR CB C 64.203 0.05 1 1272 . 123 THR HB H 4.047 0.01 1 1273 . 123 THR HG2 H 1.121 0.01 1 1274 . 124 LEU H H 8.262 0.01 1 1275 . 124 LEU N N 123.824 0.05 1 1276 . 124 LEU CA C 53.208 0.05 1 1277 . 124 LEU HA H 5.014 0.01 1 1278 . 124 LEU C C 177.9292 0.05 1 1279 . 124 LEU CB C 47.073 0.05 1 1280 . 124 LEU HB2 H 1.682 0.01 1 1281 . 124 LEU HB3 H 1.682 0.01 1 1282 . 124 LEU CG C 27.074 0.05 1 1283 . 124 LEU CD1 C 22.101 0.05 1 1284 . 124 LEU HG H 1.812 0.01 1 1285 . 125 ILE H H 8.493 0.01 1 1286 . 125 ILE N N 120.849 0.05 1 1287 . 125 ILE CA C 60.347 0.05 1 1288 . 125 ILE HA H 5.097 0.01 1 1289 . 125 ILE C C 175.65128 0.05 1 1290 . 125 ILE CB C 40.515 0.05 1 1291 . 125 ILE HB H 1.563 0.01 1 1292 . 125 ILE CG2 C 17.851 0.05 1 1293 . 125 ILE HG2 H 0.73 0.01 1 1294 . 125 ILE CG1 C 28.437 0.05 1 1295 . 125 ILE HG12 H 1.406 0.01 1 1296 . 125 ILE HG13 H 1.097 0.01 1 1297 . 125 ILE CD1 C 15.605 0.05 1 1298 . 125 ILE HD1 H 0.587 0.01 1 1299 . 126 PHE H H 9.194 0.01 1 1300 . 126 PHE N N 120.598 0.05 1 1301 . 126 PHE CA C 55.233 0.05 1 1302 . 126 PHE HA H 5.999 0.01 1 1303 . 126 PHE C C 174.6563 0.05 1 1304 . 126 PHE CB C 42.967 0.05 1 1305 . 126 PHE HB2 H 2.736 0.01 1 1306 . 126 PHE HB3 H 2.736 0.01 1 1307 . 126 PHE CD1 C 132.4153 0.05 1 1308 . 126 PHE HD1 H 7.359 0.01 1 1309 . 126 PHE CD2 C 132.4153 0.05 1 1310 . 126 PHE HD2 H 7.359 0.01 1 1311 . 126 PHE CE1 C 132.4153 0.05 1 1312 . 126 PHE HE1 H 7.578 0.01 1 1313 . 126 PHE CE2 C 132.4153 0.05 1 1314 . 126 PHE HE2 H 7.578 0.01 1 1315 . 127 LYS H H 8.806 0.01 1 1316 . 127 LYS N N 124.373 0.05 1 1317 . 127 LYS CA C 56.041 0.05 1 1318 . 127 LYS HA H 5.185 0.01 1 1319 . 127 LYS C C 175.77391 0.05 1 1320 . 127 LYS CB C 34.008 0.05 1 1321 . 127 LYS HB2 H 1.898 0.01 1 1322 . 127 LYS HB3 H 1.791 0.01 1 1323 . 127 LYS CG C 29.7264 0.05 1 1324 . 127 LYS HG2 H 1.664 0.01 1 1325 . 127 LYS HG3 H 1.664 0.01 1 1326 . 127 LYS CD C 25.711 0.05 1 1327 . 127 LYS HD2 H 1.273 0.01 1 1328 . 127 LYS HD3 H 1.273 0.01 1 1329 . 127 LYS CE C 41.7582 0.05 1 1330 . 127 LYS HE2 H 2.845 0.01 1 1331 . 127 LYS HE3 H 2.845 0.01 1 1332 . 128 ILE H H 9.238 0.01 1 1333 . 128 ILE N N 124.941 0.05 1 1334 . 128 ILE CA C 60.442 0.05 1 1335 . 128 ILE HA H 4.712 0.01 1 1336 . 128 ILE C C 173.12968 0.05 1 1337 . 128 ILE CB C 42.087 0.05 1 1338 . 128 ILE HB H 1.307 0.01 1 1339 . 128 ILE CG2 C 16.324 0.05 1 1340 . 128 ILE HG2 H 0.416 0.01 1 1341 . 128 ILE CG1 C 27.475 0.05 1 1342 . 128 ILE HG12 H 1.192 0.01 1 1343 . 128 ILE HG13 H 0.312 0.01 1 1344 . 128 ILE CD1 C 11.947 0.05 1 1345 . 128 ILE HD1 H -0.62 0.01 1 1346 . 129 HIS H H 9.324 0.01 1 1347 . 129 HIS N N 127.028 0.05 1 1348 . 129 HIS CA C 52.193 0.05 1 1349 . 129 HIS HA H 5.744 0.01 1 1350 . 129 HIS C C 174.01663 0.05 1 1351 . 129 HIS CB C 31.509 0.05 1 1352 . 129 HIS HB2 H 3.2833 0.01 1 1353 . 129 HIS HB3 H 3.2833 0.01 1 1354 . 130 LEU H H 8.503 0.01 1 1355 . 130 LEU N N 129.054 0.05 1 1356 . 130 LEU CA C 54.207 0.05 1 1357 . 130 LEU HA H 4.377 0.01 1 1358 . 130 LEU C C 173.70657 0.05 1 1359 . 130 LEU CB C 42.227 0.05 1 1360 . 130 LEU HB2 H 1.801 0.01 1 1361 . 130 LEU HB3 H 0.972 0.01 1 1362 . 130 LEU CG C 28.3591 0.05 1 1363 . 130 LEU CD1 C 24.0728 0.05 1 1364 . 130 LEU HD1 H 0.768 0.01 1 1365 . 130 LEU CD2 C 27.26 0.05 1 1366 . 130 LEU HD2 H 0.608 0.01 1 1367 . 130 LEU HG H 1.105 0.01 1 1368 . 131 ILE H H 8.602 0.01 1 1369 . 131 ILE N N 129.807 0.05 1 1370 . 131 ILE CA C 63.814 0.05 1 1371 . 131 ILE HA H 3.534 0.01 1 1372 . 131 ILE C C 176.54662 0.05 1 1373 . 131 ILE CB C 38.61 0.05 1 1374 . 131 ILE HB H 1.387 0.01 1 1375 . 131 ILE CG2 C 16.808 0.05 1 1376 . 131 ILE HG2 H 0.789 0.01 1 1377 . 131 ILE CG1 C 27.796 0.05 1 1378 . 131 ILE HG12 H 0.453 0.01 1 1379 . 131 ILE HG13 H 0.453 0.01 1 1380 . 131 ILE CD1 C 13.921 0.05 1 1381 . 131 ILE HD1 H 1.02 0.01 1 1382 . 132 SER H H 7.487 0.01 1 1383 . 132 SER N N 108.837 0.05 1 1384 . 132 SER CA C 56.962 0.05 1 1385 . 132 SER HA H 4.672 0.01 1 1386 . 132 SER C C 171.11792 0.05 1 1387 . 132 SER CB C 65.28 0.05 1 1388 . 132 SER HB2 H 3.72 0.01 1 1389 . 132 SER HB3 H 3.72 0.01 1 1390 . 133 VAL H H 8.355 0.01 1 1391 . 133 VAL N N 120.587 0.05 1 1392 . 133 VAL CA C 60.994 0.05 1 1393 . 133 VAL HA H 4.452 0.01 1 1394 . 133 VAL C C 174.33006 0.05 1 1395 . 133 VAL CB C 34.997 0.05 1 1396 . 133 VAL HB H 1.704 0.01 1 1397 . 133 VAL CG1 C 21.781 0.05 1 1398 . 133 VAL HG1 H 0.75 0.01 1 1399 . 133 VAL CG2 C 21.781 0.05 1 1400 . 133 VAL HG2 H 0.75 0.01 1 1401 . 134 LYS H H 9.093 0.01 1 1402 . 134 LYS N N 129.305 0.05 1 1403 . 134 LYS CA C 54.891 0.05 1 1404 . 134 LYS HA H 4.562 0.01 1 1405 . 134 LYS C C 175.24149 0.05 1 1406 . 134 LYS CB C 34.266 0.05 1 1407 . 134 LYS HB2 H 1.711 0.01 1 1408 . 134 LYS HB3 H 1.556 0.01 1 1409 . 134 LYS CG C 24.668 0.05 1 1410 . 134 LYS HG2 H 1.299 0.01 1 1411 . 134 LYS HG3 H 1.299 0.01 1 1412 . 134 LYS CD C 29.239 0.05 1 1413 . 134 LYS HD2 H 1.584 0.01 1 1414 . 134 LYS HD3 H 1.584 0.01 1 1415 . 134 LYS CE C 42.072 0.05 1 1416 . 134 LYS HE2 H 2.916 0.01 1 1417 . 134 LYS HE3 H 2.916 0.01 1 1418 . 135 LYS H H 8.623 0.01 1 1419 . 135 LYS N N 126.827 0.05 1 1420 . 135 LYS CA C 55.836 0.05 1 1421 . 135 LYS HA H 4.363 0.01 1 1422 . 135 LYS C C 177.33411 0.05 1 1423 . 135 LYS CB C 32.717 0.05 1 1424 . 135 LYS HB2 H 1.848 0.01 1 1425 . 135 LYS HB3 H 1.771 0.01 1 1426 . 135 LYS CG C 24.828 0.05 1 1427 . 135 LYS HG2 H 1.492 0.01 1 1428 . 135 LYS HG3 H 1.492 0.01 1 1429 . 135 LYS CD C 28.678 0.05 1 1430 . 135 LYS HD2 H 1.715 0.01 1 1431 . 135 LYS HD3 H 1.715 0.01 1 1432 . 135 LYS CE C 42.0316 0.05 1 1433 . 135 LYS HE2 H 2.945 0.01 1 1434 . 135 LYS HE3 H 2.945 0.01 1 1435 . 136 SER H H 8.718 0.01 1 1436 . 136 SER N N 119.152 0.05 1 1437 . 136 SER CA C 58.537 0.05 1 1438 . 136 SER HA H 4.465 0.01 1 1439 . 136 SER C C 173.81644 0.05 1 1440 . 136 SER CB C 63.947 0.05 1 1441 . 136 SER HB2 H 3.909 0.01 1 1442 . 136 SER HB3 H 3.909 0.01 1 1443 . 137 SER H H 7.974 0.01 1 1444 . 137 SER N N 123.245 0.05 1 1445 . 137 SER CA C 60.3 0.05 1 1446 . 137 SER HA H 4.267 0.01 1 1447 . 137 SER CB C 64.967 0.05 1 1448 . 137 SER HB2 H 3.845 0.01 1 1449 . 137 SER HB3 H 3.845 0.01 1 stop_ save_