data_11376 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1 ; _BMRB_accession_number 11376 _BMRB_flat_file_name bmr11376.str _Entry_type original _Submission_date 2010-09-08 _Accession_date 2010-09-08 _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 Takahashi M. . . 2 Kuwasako K. . . 3 Abe C. . . 4 Tsuda K. . . 5 Inoue M. . . 6 Terada T. . . 7 Shirouzu M. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 Taguchi S. . . 11 Guntert P. . . 12 Hayashizaki Y. . . 13 Tanaka A. . . 14 Muto Y. . . 15 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 630 "13C chemical shifts" 480 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-30 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11370 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, C terminal truncated' 11371 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, D131A mutant' 11372 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, K138A mutant' 11373 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, T134A mutant' 11374 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1 with RNA (CCCCC)' 11375 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1 with RNA (UUUUU)' stop_ _Original_release_date 2010-11-30 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the second RNA recognition motif (RRM) domain of murine T cell intracellular antigen-1 (TIA-1) and its RNA recognition mode.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18500819 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kuwasako Kanako . . 2 Takahashi Mari . . 3 Tochio Naoya . . 4 Abe Chikage . . 5 Tsuda Kengo . . 6 Inoue Makoto . . 7 Terada Takaho . . 8 Shirouzu Mikako . . 9 Kobayashi Naohiro . . 10 Kigawa Takanori . . 11 Taguchi Seiichi . . 12 Tanaka Akiko . . 13 Hayashizaki Yoshihide . . 14 Guntert Peter . . 15 Muto Yutaka . . 16 Yokoyama Shigeyuki . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 47 _Journal_issue 24 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6437 _Page_last 6450 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Tia1 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RRM domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RRM domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GSSGSSGQKKDTSNHFHVFV GDLSPEITTEDIKAAFAPFG RISDARVVKDMATGKSKGYG FVSFFNKWDAENAIQQMGGQ WLGGRQIRTNWATRKPPAPK STYESNTKQSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 LYS 10 LYS 11 ASP 12 THR 13 SER 14 ASN 15 HIS 16 PHE 17 HIS 18 VAL 19 PHE 20 VAL 21 GLY 22 ASP 23 LEU 24 SER 25 PRO 26 GLU 27 ILE 28 THR 29 THR 30 GLU 31 ASP 32 ILE 33 LYS 34 ALA 35 ALA 36 PHE 37 ALA 38 PRO 39 PHE 40 GLY 41 ARG 42 ILE 43 SER 44 ASP 45 ALA 46 ARG 47 VAL 48 VAL 49 LYS 50 ASP 51 MET 52 ALA 53 THR 54 GLY 55 LYS 56 SER 57 LYS 58 GLY 59 TYR 60 GLY 61 PHE 62 VAL 63 SER 64 PHE 65 PHE 66 ASN 67 LYS 68 TRP 69 ASP 70 ALA 71 GLU 72 ASN 73 ALA 74 ILE 75 GLN 76 GLN 77 MET 78 GLY 79 GLY 80 GLN 81 TRP 82 LEU 83 GLY 84 GLY 85 ARG 86 GLN 87 ILE 88 ARG 89 THR 90 ASN 91 TRP 92 ALA 93 THR 94 ARG 95 LYS 96 PRO 97 PRO 98 ALA 99 PRO 100 LYS 101 SER 102 THR 103 TYR 104 GLU 105 SER 106 ASN 107 THR 108 LYS 109 GLN 110 SER 111 GLY 112 PRO 113 SER 114 SER 115 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 11370 "RRM domain C terminal truncated" 75.65 87 100.00 100.00 7.29e-57 BMRB 11371 "RRM domain D131A mutant" 89.57 103 99.03 99.03 2.39e-68 BMRB 11372 "RRM domain K138A mutant" 89.57 103 99.03 99.03 1.01e-68 BMRB 11373 "RRM domain T134A mutant" 89.57 103 99.03 99.03 8.77e-69 BMRB 11374 "RRM domain" 100.00 115 100.00 100.00 2.81e-77 BMRB 11375 "RRM domain" 100.00 115 100.00 100.00 2.81e-77 PDB 2DGO "Solution Structure Of The Rna Binding Domain In Cytotoxic Granule-Associated Rna Binding Protein 1" 100.00 115 100.00 100.00 2.81e-77 PDB 2RNE "Solution Structure Of The Second Rna Recognition Motif (Rrm) Of Tia-1" 100.00 115 100.00 100.00 2.81e-77 GB EAW99825 "TIA1 cytotoxic granule-associated RNA binding protein, isoform CRA_c, partial [Homo sapiens]" 90.43 144 99.04 99.04 2.21e-69 REF XP_005430921 "PREDICTED: nucleolysin TIA-1 isoform p40 [Geospiza fortis]" 90.43 367 98.08 99.04 6.94e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 20mM [U-99% 2H] TRIS, 100mM sodium chloride, 1mM [U-98% 2H] DTT, 0.02% sodium azide, 1mM [U-99% 13C; U-99% 15N] protein, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 13C; U-99% 15N]' TRIS 20 mM '[U-99% 2H]' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM '[U-98% 2H]' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_OPAL _Saveframe_category software _Name OPAL _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $OPAL stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'RRM domain' _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 7 7 GLY HA2 H 3.921 0.030 2 2 7 7 GLY C C 174.074 0.300 1 3 7 7 GLY CA C 45.326 0.300 1 4 8 8 GLN H H 8.174 0.030 1 5 8 8 GLN HA H 4.276 0.030 1 6 8 8 GLN HB2 H 1.937 0.030 2 7 8 8 GLN HB3 H 2.068 0.030 2 8 8 8 GLN HG2 H 2.304 0.030 2 9 8 8 GLN C C 176.011 0.300 1 10 8 8 GLN CA C 55.668 0.300 1 11 8 8 GLN CB C 29.525 0.300 1 12 8 8 GLN CG C 33.764 0.300 1 13 8 8 GLN N N 119.861 0.300 1 14 9 9 LYS H H 8.390 0.030 1 15 9 9 LYS HA H 4.268 0.030 1 16 9 9 LYS HB2 H 1.764 0.030 1 17 9 9 LYS HB3 H 1.764 0.030 1 18 9 9 LYS HD2 H 1.657 0.030 1 19 9 9 LYS HD3 H 1.657 0.030 1 20 9 9 LYS HE2 H 2.950 0.030 1 21 9 9 LYS HE3 H 2.950 0.030 1 22 9 9 LYS HG2 H 1.389 0.030 1 23 9 9 LYS HG3 H 1.389 0.030 1 24 9 9 LYS C C 176.496 0.300 1 25 9 9 LYS CA C 56.001 0.300 1 26 9 9 LYS CB C 32.931 0.300 1 27 9 9 LYS CD C 29.184 0.300 1 28 9 9 LYS CE C 42.176 0.300 1 29 9 9 LYS CG C 24.686 0.300 1 30 9 9 LYS N N 123.239 0.300 1 31 10 10 LYS H H 8.403 0.030 1 32 10 10 LYS HA H 4.314 0.030 1 33 10 10 LYS HB2 H 1.760 0.030 2 34 10 10 LYS HB3 H 1.825 0.030 2 35 10 10 LYS HD2 H 1.666 0.030 1 36 10 10 LYS HD3 H 1.666 0.030 1 37 10 10 LYS HE2 H 2.950 0.030 1 38 10 10 LYS HE3 H 2.950 0.030 1 39 10 10 LYS HG2 H 1.397 0.030 1 40 10 10 LYS HG3 H 1.397 0.030 1 41 10 10 LYS C C 176.008 0.300 1 42 10 10 LYS CA C 56.202 0.300 1 43 10 10 LYS CB C 33.004 0.300 1 44 10 10 LYS CD C 29.100 0.300 1 45 10 10 LYS CE C 42.176 0.300 1 46 10 10 LYS CG C 24.686 0.300 1 47 10 10 LYS N N 123.239 0.300 1 48 11 11 ASP H H 8.410 0.030 1 49 11 11 ASP HA H 4.656 0.030 1 50 11 11 ASP HB2 H 2.749 0.030 2 51 11 11 ASP HB3 H 2.642 0.030 2 52 11 11 ASP C C 176.728 0.300 1 53 11 11 ASP CA C 54.148 0.300 1 54 11 11 ASP CB C 41.252 0.300 1 55 11 11 ASP N N 122.182 0.300 1 56 12 12 THR H H 8.202 0.030 1 57 12 12 THR HA H 3.955 0.030 1 58 12 12 THR HB H 4.309 0.030 1 59 12 12 THR HG2 H 1.077 0.030 1 60 12 12 THR C C 175.577 0.300 1 61 12 12 THR CA C 61.238 0.300 1 62 12 12 THR CB C 69.258 0.300 1 63 12 12 THR CG2 C 21.521 0.300 1 64 12 12 THR N N 114.805 0.300 1 65 13 13 SER H H 8.324 0.030 1 66 13 13 SER HA H 4.208 0.030 1 67 13 13 SER HB2 H 3.797 0.030 1 68 13 13 SER HB3 H 3.797 0.030 1 69 13 13 SER C C 174.502 0.300 1 70 13 13 SER CA C 60.175 0.300 1 71 13 13 SER CB C 63.365 0.300 1 72 13 13 SER N N 118.750 0.300 1 73 14 14 ASN H H 8.233 0.030 1 74 14 14 ASN HA H 4.695 0.030 1 75 14 14 ASN HB2 H 2.738 0.030 2 76 14 14 ASN HB3 H 2.601 0.030 2 77 14 14 ASN HD21 H 6.836 0.030 2 78 14 14 ASN HD22 H 7.504 0.030 2 79 14 14 ASN C C 174.107 0.300 1 80 14 14 ASN CA C 52.889 0.300 1 81 14 14 ASN CB C 38.733 0.300 1 82 14 14 ASN N N 119.368 0.300 1 83 14 14 ASN ND2 N 113.189 0.300 1 84 15 15 HIS H H 7.398 0.030 1 85 15 15 HIS HA H 4.553 0.030 1 86 15 15 HIS HB2 H 2.817 0.030 2 87 15 15 HIS HB3 H 2.614 0.030 2 88 15 15 HIS HD2 H 6.708 0.030 1 89 15 15 HIS HE1 H 7.358 0.030 1 90 15 15 HIS C C 172.182 0.300 1 91 15 15 HIS CA C 53.820 0.300 1 92 15 15 HIS CB C 32.258 0.300 1 93 15 15 HIS CD2 C 116.166 0.300 1 94 15 15 HIS CE1 C 138.313 0.300 1 95 15 15 HIS N N 119.184 0.300 1 96 16 16 PHE H H 8.388 0.030 1 97 16 16 PHE HA H 4.540 0.030 1 98 16 16 PHE HB2 H 3.136 0.030 2 99 16 16 PHE HB3 H 2.757 0.030 2 100 16 16 PHE HD1 H 7.090 0.030 1 101 16 16 PHE HD2 H 7.090 0.030 1 102 16 16 PHE HE1 H 7.406 0.030 1 103 16 16 PHE HE2 H 7.406 0.030 1 104 16 16 PHE HZ H 7.356 0.030 1 105 16 16 PHE C C 175.055 0.300 1 106 16 16 PHE CA C 58.534 0.300 1 107 16 16 PHE CB C 40.798 0.300 1 108 16 16 PHE CD1 C 131.708 0.300 1 109 16 16 PHE CD2 C 131.708 0.300 1 110 16 16 PHE CE1 C 131.677 0.300 1 111 16 16 PHE CE2 C 131.677 0.300 1 112 16 16 PHE CZ C 130.144 0.300 1 113 16 16 PHE N N 117.473 0.300 1 114 17 17 HIS H H 8.860 0.030 1 115 17 17 HIS HA H 5.155 0.030 1 116 17 17 HIS HB2 H 3.290 0.030 2 117 17 17 HIS HB3 H 2.738 0.030 2 118 17 17 HIS HD2 H 6.976 0.030 1 119 17 17 HIS HE1 H 7.605 0.030 1 120 17 17 HIS C C 174.188 0.300 1 121 17 17 HIS CA C 56.644 0.300 1 122 17 17 HIS CB C 33.248 0.300 1 123 17 17 HIS CD2 C 119.720 0.300 1 124 17 17 HIS CE1 C 138.858 0.300 1 125 17 17 HIS N N 124.310 0.300 1 126 18 18 VAL H H 9.808 0.030 1 127 18 18 VAL HA H 4.366 0.030 1 128 18 18 VAL HB H 2.305 0.030 1 129 18 18 VAL HG1 H 0.922 0.030 1 130 18 18 VAL HG2 H 0.696 0.030 1 131 18 18 VAL C C 175.356 0.300 1 132 18 18 VAL CA C 62.291 0.300 1 133 18 18 VAL CB C 34.237 0.300 1 134 18 18 VAL CG1 C 21.917 0.300 2 135 18 18 VAL CG2 C 20.973 0.300 2 136 18 18 VAL N N 126.484 0.300 1 137 19 19 PHE H H 9.155 0.030 1 138 19 19 PHE HA H 4.676 0.030 1 139 19 19 PHE HB2 H 2.941 0.030 2 140 19 19 PHE HB3 H 2.736 0.030 2 141 19 19 PHE HD1 H 6.909 0.030 1 142 19 19 PHE HD2 H 6.909 0.030 1 143 19 19 PHE HE1 H 6.956 0.030 1 144 19 19 PHE HE2 H 6.956 0.030 1 145 19 19 PHE HZ H 6.822 0.030 1 146 19 19 PHE C C 172.729 0.300 1 147 19 19 PHE CA C 57.279 0.300 1 148 19 19 PHE CB C 40.898 0.300 1 149 19 19 PHE CD1 C 132.119 0.300 1 150 19 19 PHE CD2 C 132.119 0.300 1 151 19 19 PHE CE1 C 129.304 0.300 1 152 19 19 PHE CE2 C 129.304 0.300 1 153 19 19 PHE CZ C 130.908 0.300 1 154 19 19 PHE N N 127.982 0.300 1 155 20 20 VAL H H 7.810 0.030 1 156 20 20 VAL HA H 4.504 0.030 1 157 20 20 VAL HB H 1.376 0.030 1 158 20 20 VAL HG1 H 0.726 0.030 1 159 20 20 VAL HG2 H 0.413 0.030 1 160 20 20 VAL C C 173.507 0.300 1 161 20 20 VAL CA C 59.691 0.300 1 162 20 20 VAL CB C 32.809 0.300 1 163 20 20 VAL CG1 C 22.796 0.300 2 164 20 20 VAL CG2 C 21.521 0.300 2 165 20 20 VAL N N 126.990 0.300 1 166 21 21 GLY H H 8.807 0.030 1 167 21 21 GLY HA2 H 4.536 0.030 2 168 21 21 GLY HA3 H 3.378 0.030 2 169 21 21 GLY C C 172.293 0.300 1 170 21 21 GLY CA C 43.531 0.300 1 171 21 21 GLY N N 111.299 0.300 1 172 22 22 ASP H H 8.411 0.030 1 173 22 22 ASP HA H 4.187 0.030 1 174 22 22 ASP HB2 H 2.927 0.030 2 175 22 22 ASP HB3 H 3.058 0.030 2 176 22 22 ASP C C 173.942 0.300 1 177 22 22 ASP CA C 55.582 0.300 1 178 22 22 ASP CB C 38.950 0.300 1 179 22 22 ASP N N 115.446 0.300 1 180 23 23 LEU H H 7.632 0.030 1 181 23 23 LEU HA H 4.299 0.030 1 182 23 23 LEU HB2 H 1.128 0.030 2 183 23 23 LEU HB3 H 1.057 0.030 2 184 23 23 LEU HD1 H 0.597 0.030 1 185 23 23 LEU HD2 H 0.413 0.030 1 186 23 23 LEU HG H 1.250 0.030 1 187 23 23 LEU C C 178.329 0.300 1 188 23 23 LEU CA C 53.126 0.300 1 189 23 23 LEU CB C 42.904 0.300 1 190 23 23 LEU CD1 C 23.264 0.300 2 191 23 23 LEU CD2 C 26.354 0.300 2 192 23 23 LEU CG C 26.557 0.300 1 193 23 23 LEU N N 112.356 0.300 1 194 24 24 SER H H 8.908 0.030 1 195 24 24 SER HA H 4.438 0.030 1 196 24 24 SER HB2 H 4.142 0.030 2 197 24 24 SER HB3 H 3.989 0.030 2 198 24 24 SER C C 174.697 0.300 1 199 24 24 SER CA C 56.931 0.300 1 200 24 24 SER CB C 63.139 0.300 1 201 24 24 SER N N 120.847 0.300 1 202 25 25 PRO HA H 4.230 0.030 1 203 25 25 PRO HB2 H 2.447 0.030 2 204 25 25 PRO HB3 H 2.018 0.030 2 205 25 25 PRO HD2 H 3.872 0.030 2 206 25 25 PRO HD3 H 3.926 0.030 2 207 25 25 PRO HG2 H 2.122 0.030 2 208 25 25 PRO HG3 H 2.075 0.030 2 209 25 25 PRO C C 176.236 0.300 1 210 25 25 PRO CA C 65.616 0.300 1 211 25 25 PRO CB C 32.092 0.300 1 212 25 25 PRO CD C 51.190 0.300 1 213 25 25 PRO CG C 27.517 0.300 1 214 26 26 GLU H H 8.973 0.030 1 215 26 26 GLU HA H 4.340 0.030 1 216 26 26 GLU HB2 H 2.099 0.030 2 217 26 26 GLU HB3 H 1.978 0.030 2 218 26 26 GLU HG2 H 2.347 0.030 2 219 26 26 GLU HG3 H 2.220 0.030 2 220 26 26 GLU C C 176.769 0.300 1 221 26 26 GLU CA C 56.684 0.300 1 222 26 26 GLU CB C 28.945 0.300 1 223 26 26 GLU CG C 35.972 0.300 1 224 26 26 GLU N N 116.038 0.300 1 225 27 27 ILE H H 7.367 0.030 1 226 27 27 ILE HA H 4.300 0.030 1 227 27 27 ILE HB H 2.142 0.030 1 228 27 27 ILE HD1 H 0.696 0.030 1 229 27 27 ILE HG12 H 1.371 0.030 2 230 27 27 ILE HG13 H 1.603 0.030 2 231 27 27 ILE HG2 H 0.913 0.030 1 232 27 27 ILE C C 177.082 0.300 1 233 27 27 ILE CA C 59.428 0.300 1 234 27 27 ILE CB C 35.168 0.300 1 235 27 27 ILE CD1 C 9.621 0.300 1 236 27 27 ILE CG1 C 27.137 0.300 1 237 27 27 ILE CG2 C 18.440 0.300 1 238 27 27 ILE N N 121.687 0.300 1 239 28 28 THR H H 9.421 0.030 1 240 28 28 THR HA H 4.736 0.030 1 241 28 28 THR HB H 4.741 0.030 1 242 28 28 THR HG2 H 1.361 0.030 1 243 28 28 THR C C 176.279 0.300 1 244 28 28 THR CA C 60.094 0.300 1 245 28 28 THR CB C 73.457 0.300 1 246 28 28 THR CG2 C 21.688 0.300 1 247 28 28 THR N N 121.173 0.300 1 248 29 29 THR H H 9.035 0.030 1 249 29 29 THR HA H 3.570 0.030 1 250 29 29 THR HB H 4.172 0.030 1 251 29 29 THR HG2 H 1.153 0.030 1 252 29 29 THR C C 175.343 0.300 1 253 29 29 THR CA C 67.106 0.300 1 254 29 29 THR CB C 69.012 0.300 1 255 29 29 THR CG2 C 23.432 0.300 1 256 29 29 THR N N 118.426 0.300 1 257 30 30 GLU H H 8.429 0.030 1 258 30 30 GLU HA H 3.874 0.030 1 259 30 30 GLU HB2 H 1.998 0.030 1 260 30 30 GLU HB3 H 1.998 0.030 1 261 30 30 GLU HG2 H 2.455 0.030 2 262 30 30 GLU HG3 H 2.296 0.030 2 263 30 30 GLU C C 179.196 0.300 1 264 30 30 GLU CA C 60.557 0.300 1 265 30 30 GLU CB C 28.526 0.300 1 266 30 30 GLU CG C 37.179 0.300 1 267 30 30 GLU N N 119.924 0.300 1 268 31 31 ASP H H 7.716 0.030 1 269 31 31 ASP HA H 4.456 0.030 1 270 31 31 ASP HB2 H 3.252 0.030 2 271 31 31 ASP HB3 H 2.583 0.030 2 272 31 31 ASP C C 179.878 0.300 1 273 31 31 ASP CA C 57.433 0.300 1 274 31 31 ASP CB C 41.621 0.300 1 275 31 31 ASP N N 120.092 0.300 1 276 32 32 ILE H H 7.904 0.030 1 277 32 32 ILE HA H 4.043 0.030 1 278 32 32 ILE HB H 1.851 0.030 1 279 32 32 ILE HD1 H 0.505 0.030 1 280 32 32 ILE HG12 H 1.260 0.030 1 281 32 32 ILE HG13 H 1.260 0.030 1 282 32 32 ILE HG2 H 0.695 0.030 1 283 32 32 ILE C C 177.514 0.300 1 284 32 32 ILE CA C 64.275 0.300 1 285 32 32 ILE CB C 37.125 0.300 1 286 32 32 ILE CD1 C 12.506 0.300 1 287 32 32 ILE CG1 C 27.596 0.300 1 288 32 32 ILE CG2 C 18.273 0.300 1 289 32 32 ILE N N 118.194 0.300 1 290 33 33 LYS H H 8.307 0.030 1 291 33 33 LYS HA H 3.739 0.030 1 292 33 33 LYS HB2 H 1.908 0.030 2 293 33 33 LYS HB3 H 1.767 0.030 2 294 33 33 LYS HD2 H 1.663 0.030 1 295 33 33 LYS HD3 H 1.663 0.030 1 296 33 33 LYS HE2 H 2.791 0.030 2 297 33 33 LYS HE3 H 2.865 0.030 2 298 33 33 LYS HG2 H 1.504 0.030 2 299 33 33 LYS HG3 H 1.225 0.030 2 300 33 33 LYS C C 177.820 0.300 1 301 33 33 LYS CA C 61.017 0.300 1 302 33 33 LYS CB C 32.270 0.300 1 303 33 33 LYS CD C 29.683 0.300 1 304 33 33 LYS CE C 41.926 0.300 1 305 33 33 LYS CG C 26.893 0.300 1 306 33 33 LYS N N 121.645 0.300 1 307 34 34 ALA H H 7.763 0.030 1 308 34 34 ALA HA H 4.169 0.030 1 309 34 34 ALA HB H 1.533 0.030 1 310 34 34 ALA C C 180.322 0.300 1 311 34 34 ALA CA C 54.804 0.300 1 312 34 34 ALA CB C 18.164 0.300 1 313 34 34 ALA N N 118.259 0.300 1 314 35 35 ALA H H 7.845 0.030 1 315 35 35 ALA HA H 4.199 0.030 1 316 35 35 ALA HB H 1.477 0.030 1 317 35 35 ALA C C 177.786 0.300 1 318 35 35 ALA CA C 53.898 0.300 1 319 35 35 ALA CB C 19.050 0.300 1 320 35 35 ALA N N 117.995 0.300 1 321 36 36 PHE H H 7.994 0.030 1 322 36 36 PHE HA H 4.854 0.030 1 323 36 36 PHE HB2 H 3.387 0.030 2 324 36 36 PHE HB3 H 3.091 0.030 2 325 36 36 PHE HD1 H 7.733 0.030 1 326 36 36 PHE HD2 H 7.733 0.030 1 327 36 36 PHE HE1 H 6.838 0.030 1 328 36 36 PHE HE2 H 6.838 0.030 1 329 36 36 PHE HZ H 6.774 0.030 1 330 36 36 PHE C C 175.387 0.300 1 331 36 36 PHE CA C 59.609 0.300 1 332 36 36 PHE CB C 40.385 0.300 1 333 36 36 PHE CD1 C 131.976 0.300 1 334 36 36 PHE CD2 C 131.976 0.300 1 335 36 36 PHE CE1 C 130.026 0.300 1 336 36 36 PHE CE2 C 130.026 0.300 1 337 36 36 PHE CZ C 129.185 0.300 1 338 36 36 PHE N N 112.030 0.300 1 339 37 37 ALA H H 8.045 0.030 1 340 37 37 ALA HA H 4.557 0.030 1 341 37 37 ALA HB H 1.595 0.030 1 342 37 37 ALA C C 176.367 0.300 1 343 37 37 ALA CA C 55.668 0.300 1 344 37 37 ALA CB C 16.788 0.300 1 345 37 37 ALA N N 125.047 0.300 1 346 38 38 PRO HA H 4.155 0.030 1 347 38 38 PRO HB2 H 2.009 0.030 2 348 38 38 PRO HB3 H 0.525 0.030 2 349 38 38 PRO HD2 H 3.102 0.030 2 350 38 38 PRO HD3 H 3.682 0.030 2 351 38 38 PRO HG2 H 1.720 0.030 1 352 38 38 PRO HG3 H 1.720 0.030 1 353 38 38 PRO C C 177.362 0.300 1 354 38 38 PRO CA C 65.185 0.300 1 355 38 38 PRO CB C 31.276 0.300 1 356 38 38 PRO CD C 51.837 0.300 1 357 38 38 PRO CG C 28.018 0.300 1 358 39 39 PHE H H 7.719 0.030 1 359 39 39 PHE HA H 4.257 0.030 1 360 39 39 PHE HB2 H 3.321 0.030 2 361 39 39 PHE HB3 H 3.020 0.030 2 362 39 39 PHE HD1 H 7.388 0.030 1 363 39 39 PHE HD2 H 7.388 0.030 1 364 39 39 PHE HE1 H 7.256 0.030 1 365 39 39 PHE HE2 H 7.256 0.030 1 366 39 39 PHE HZ H 7.049 0.030 1 367 39 39 PHE C C 174.496 0.300 1 368 39 39 PHE CA C 59.593 0.300 1 369 39 39 PHE CB C 39.051 0.300 1 370 39 39 PHE CD1 C 130.894 0.300 1 371 39 39 PHE CD2 C 130.894 0.300 1 372 39 39 PHE CE1 C 131.907 0.300 1 373 39 39 PHE CE2 C 131.907 0.300 1 374 39 39 PHE CZ C 129.311 0.300 1 375 39 39 PHE N N 112.601 0.300 1 376 40 40 GLY H H 7.622 0.030 1 377 40 40 GLY HA2 H 4.808 0.030 2 378 40 40 GLY HA3 H 3.873 0.030 2 379 40 40 GLY C C 171.591 0.300 1 380 40 40 GLY CA C 44.412 0.300 1 381 40 40 GLY N N 104.629 0.300 1 382 41 41 ARG H H 8.256 0.030 1 383 41 41 ARG HA H 4.327 0.030 1 384 41 41 ARG HB2 H 1.956 0.030 1 385 41 41 ARG HB3 H 1.956 0.030 1 386 41 41 ARG HD2 H 2.961 0.030 2 387 41 41 ARG HD3 H 3.106 0.030 2 388 41 41 ARG HG2 H 1.656 0.030 2 389 41 41 ARG HG3 H 1.855 0.030 2 390 41 41 ARG C C 177.002 0.300 1 391 41 41 ARG CA C 57.806 0.300 1 392 41 41 ARG CB C 30.998 0.300 1 393 41 41 ARG CD C 43.509 0.300 1 394 41 41 ARG CG C 27.674 0.300 1 395 41 41 ARG N N 117.026 0.300 1 396 42 42 ILE H H 8.513 0.030 1 397 42 42 ILE HA H 4.247 0.030 1 398 42 42 ILE HB H 1.605 0.030 1 399 42 42 ILE HD1 H 0.690 0.030 1 400 42 42 ILE HG12 H 1.754 0.030 2 401 42 42 ILE HG13 H 0.211 0.030 2 402 42 42 ILE HG2 H 0.599 0.030 1 403 42 42 ILE C C 176.706 0.300 1 404 42 42 ILE CA C 60.488 0.300 1 405 42 42 ILE CB C 40.887 0.300 1 406 42 42 ILE CD1 C 14.359 0.300 1 407 42 42 ILE CG1 C 27.868 0.300 1 408 42 42 ILE CG2 C 17.438 0.300 1 409 42 42 ILE N N 128.046 0.300 1 410 43 43 SER H H 8.853 0.030 1 411 43 43 SER HA H 4.210 0.030 1 412 43 43 SER HB2 H 2.986 0.030 2 413 43 43 SER HB3 H 2.060 0.030 2 414 43 43 SER C C 174.628 0.300 1 415 43 43 SER CA C 58.011 0.300 1 416 43 43 SER CB C 63.215 0.300 1 417 43 43 SER N N 123.312 0.300 1 418 44 44 ASP H H 7.291 0.030 1 419 44 44 ASP HA H 4.661 0.030 1 420 44 44 ASP HB2 H 2.752 0.030 2 421 44 44 ASP HB3 H 2.266 0.030 2 422 44 44 ASP C C 172.702 0.300 1 423 44 44 ASP CA C 53.690 0.300 1 424 44 44 ASP CB C 43.814 0.300 1 425 44 44 ASP N N 119.599 0.300 1 426 45 45 ALA H H 7.990 0.030 1 427 45 45 ALA HA H 4.946 0.030 1 428 45 45 ALA HB H 1.221 0.030 1 429 45 45 ALA C C 175.242 0.300 1 430 45 45 ALA CA C 51.736 0.300 1 431 45 45 ALA CB C 22.543 0.300 1 432 45 45 ALA N N 121.427 0.300 1 433 46 46 ARG H H 8.658 0.030 1 434 46 46 ARG HA H 4.679 0.030 1 435 46 46 ARG HB2 H 1.854 0.030 2 436 46 46 ARG HB3 H 1.672 0.030 2 437 46 46 ARG HD2 H 3.169 0.030 1 438 46 46 ARG HD3 H 3.169 0.030 1 439 46 46 ARG HG2 H 1.492 0.030 2 440 46 46 ARG HG3 H 1.416 0.030 2 441 46 46 ARG C C 174.368 0.300 1 442 46 46 ARG CA C 55.894 0.300 1 443 46 46 ARG CB C 32.868 0.300 1 444 46 46 ARG CD C 43.425 0.300 1 445 46 46 ARG CG C 26.505 0.300 1 446 46 46 ARG N N 115.616 0.300 1 447 47 47 VAL H H 7.653 0.030 1 448 47 47 VAL HA H 3.879 0.030 1 449 47 47 VAL HB H 1.710 0.030 1 450 47 47 VAL HG1 H 0.598 0.030 1 451 47 47 VAL HG2 H 0.725 0.030 1 452 47 47 VAL C C 175.892 0.300 1 453 47 47 VAL CA C 63.046 0.300 1 454 47 47 VAL CB C 33.075 0.300 1 455 47 47 VAL CG1 C 22.771 0.300 2 456 47 47 VAL CG2 C 20.706 0.300 2 457 47 47 VAL N N 123.653 0.300 1 458 48 48 VAL H H 8.465 0.030 1 459 48 48 VAL HA H 3.654 0.030 1 460 48 48 VAL HB H 1.039 0.030 1 461 48 48 VAL HG1 H 0.881 0.030 1 462 48 48 VAL HG2 H 0.806 0.030 1 463 48 48 VAL C C 173.982 0.300 1 464 48 48 VAL CA C 64.305 0.300 1 465 48 48 VAL CB C 30.668 0.300 1 466 48 48 VAL CG1 C 22.521 0.300 2 467 48 48 VAL CG2 C 21.272 0.300 2 468 48 48 VAL N N 130.505 0.300 1 469 49 49 LYS H H 8.123 0.030 1 470 49 49 LYS HA H 4.752 0.030 1 471 49 49 LYS HB2 H 1.493 0.030 2 472 49 49 LYS HB3 H 1.343 0.030 2 473 49 49 LYS HD2 H 1.549 0.030 1 474 49 49 LYS HD3 H 1.549 0.030 1 475 49 49 LYS HE2 H 2.932 0.030 1 476 49 49 LYS HE3 H 2.932 0.030 1 477 49 49 LYS HG2 H 1.092 0.030 2 478 49 49 LYS HG3 H 1.320 0.030 2 479 49 49 LYS C C 175.861 0.300 1 480 49 49 LYS CA C 53.905 0.300 1 481 49 49 LYS CB C 35.544 0.300 1 482 49 49 LYS CD C 29.184 0.300 1 483 49 49 LYS CE C 42.093 0.300 1 484 49 49 LYS CG C 24.686 0.300 1 485 49 49 LYS N N 125.202 0.300 1 486 50 50 ASP H H 8.668 0.030 1 487 50 50 ASP HA H 4.535 0.030 1 488 50 50 ASP HB2 H 3.078 0.030 2 489 50 50 ASP HB3 H 2.424 0.030 2 490 50 50 ASP C C 177.414 0.300 1 491 50 50 ASP CA C 53.725 0.300 1 492 50 50 ASP CB C 42.689 0.300 1 493 50 50 ASP N N 121.918 0.300 1 494 51 51 MET H H 9.019 0.030 1 495 51 51 MET HA H 4.235 0.030 1 496 51 51 MET HB2 H 2.121 0.030 1 497 51 51 MET HB3 H 2.121 0.030 1 498 51 51 MET HE H 2.112 0.030 1 499 51 51 MET HG2 H 2.746 0.030 2 500 51 51 MET HG3 H 2.610 0.030 2 501 51 51 MET C C 177.419 0.300 1 502 51 51 MET CA C 57.378 0.300 1 503 51 51 MET CB C 31.677 0.300 1 504 51 51 MET CE C 16.800 0.300 1 505 51 51 MET CG C 32.238 0.300 1 506 51 51 MET N N 127.036 0.300 1 507 52 52 ALA H H 8.571 0.030 1 508 52 52 ALA HA H 4.358 0.030 1 509 52 52 ALA HB H 1.532 0.030 1 510 52 52 ALA C C 179.656 0.300 1 511 52 52 ALA CA C 54.397 0.300 1 512 52 52 ALA CB C 19.306 0.300 1 513 52 52 ALA N N 120.755 0.300 1 514 53 53 THR H H 7.780 0.030 1 515 53 53 THR HA H 4.452 0.030 1 516 53 53 THR HB H 4.334 0.030 1 517 53 53 THR HG2 H 1.215 0.030 1 518 53 53 THR C C 176.579 0.300 1 519 53 53 THR CA C 61.465 0.300 1 520 53 53 THR CB C 71.431 0.300 1 521 53 53 THR CG2 C 21.131 0.300 1 522 53 53 THR N N 104.905 0.300 1 523 54 54 GLY H H 8.440 0.030 1 524 54 54 GLY HA2 H 4.203 0.030 2 525 54 54 GLY HA3 H 3.765 0.030 2 526 54 54 GLY C C 173.614 0.300 1 527 54 54 GLY CA C 45.793 0.300 1 528 54 54 GLY N N 111.364 0.300 1 529 55 55 LYS H H 7.720 0.030 1 530 55 55 LYS HA H 4.311 0.030 1 531 55 55 LYS HB2 H 1.851 0.030 2 532 55 55 LYS HB3 H 1.688 0.030 2 533 55 55 LYS HD2 H 1.670 0.030 1 534 55 55 LYS HD3 H 1.670 0.030 1 535 55 55 LYS HE2 H 2.997 0.030 1 536 55 55 LYS HE3 H 2.997 0.030 1 537 55 55 LYS HG2 H 1.424 0.030 1 538 55 55 LYS HG3 H 1.424 0.030 1 539 55 55 LYS C C 176.356 0.300 1 540 55 55 LYS CA C 55.665 0.300 1 541 55 55 LYS CB C 33.743 0.300 1 542 55 55 LYS CD C 29.100 0.300 1 543 55 55 LYS CE C 42.093 0.300 1 544 55 55 LYS CG C 24.936 0.300 1 545 55 55 LYS N N 119.196 0.300 1 546 56 56 SER H H 8.763 0.030 1 547 56 56 SER HA H 4.246 0.030 1 548 56 56 SER HB2 H 3.736 0.030 2 549 56 56 SER HB3 H 4.088 0.030 2 550 56 56 SER C C 177.161 0.300 1 551 56 56 SER CA C 58.442 0.300 1 552 56 56 SER CB C 64.022 0.300 1 553 56 56 SER N N 115.359 0.300 1 554 57 57 LYS H H 9.305 0.030 1 555 57 57 LYS HA H 4.397 0.030 1 556 57 57 LYS HB2 H 2.043 0.030 2 557 57 57 LYS HB3 H 1.165 0.030 2 558 57 57 LYS HD2 H 1.713 0.030 2 559 57 57 LYS HD3 H 1.663 0.030 2 560 57 57 LYS HE2 H 3.029 0.030 1 561 57 57 LYS HE3 H 3.029 0.030 1 562 57 57 LYS HG2 H 1.368 0.030 1 563 57 57 LYS HG3 H 1.368 0.030 1 564 57 57 LYS C C 177.349 0.300 1 565 57 57 LYS CA C 56.559 0.300 1 566 57 57 LYS CB C 32.455 0.300 1 567 57 57 LYS CD C 29.056 0.300 1 568 57 57 LYS CE C 41.843 0.300 1 569 57 57 LYS CG C 26.083 0.300 1 570 57 57 LYS N N 125.906 0.300 1 571 58 58 GLY H H 9.249 0.030 1 572 58 58 GLY HA2 H 4.214 0.030 2 573 58 58 GLY HA3 H 3.626 0.030 2 574 58 58 GLY C C 172.727 0.300 1 575 58 58 GLY CA C 45.874 0.300 1 576 58 58 GLY N N 107.172 0.300 1 577 59 59 TYR H H 7.096 0.030 1 578 59 59 TYR HA H 5.055 0.030 1 579 59 59 TYR HB2 H 3.134 0.030 2 580 59 59 TYR HB3 H 2.804 0.030 2 581 59 59 TYR HD1 H 6.681 0.030 1 582 59 59 TYR HD2 H 6.681 0.030 1 583 59 59 TYR HE1 H 6.837 0.030 1 584 59 59 TYR HE2 H 6.837 0.030 1 585 59 59 TYR C C 172.212 0.300 1 586 59 59 TYR CA C 55.186 0.300 1 587 59 59 TYR CB C 40.468 0.300 1 588 59 59 TYR CD1 C 133.992 0.300 1 589 59 59 TYR CD2 C 133.992 0.300 1 590 59 59 TYR CE1 C 117.944 0.300 1 591 59 59 TYR CE2 C 117.944 0.300 1 592 59 59 TYR N N 112.882 0.300 1 593 60 60 GLY H H 8.843 0.030 1 594 60 60 GLY HA2 H 4.096 0.030 2 595 60 60 GLY HA3 H 3.802 0.030 2 596 60 60 GLY C C 179.440 0.300 1 597 60 60 GLY CA C 45.292 0.300 1 598 60 60 GLY N N 106.295 0.300 1 599 61 61 PHE H H 8.477 0.030 1 600 61 61 PHE HA H 5.806 0.030 1 601 61 61 PHE HB2 H 2.990 0.030 2 602 61 61 PHE HB3 H 2.534 0.030 2 603 61 61 PHE HD1 H 7.000 0.030 1 604 61 61 PHE HD2 H 7.000 0.030 1 605 61 61 PHE HE1 H 7.480 0.030 1 606 61 61 PHE HE2 H 7.480 0.030 1 607 61 61 PHE HZ H 7.480 0.030 1 608 61 61 PHE C C 174.521 0.300 1 609 61 61 PHE CA C 55.859 0.300 1 610 61 61 PHE CB C 44.643 0.300 1 611 61 61 PHE CD1 C 131.612 0.300 1 612 61 61 PHE CD2 C 131.612 0.300 1 613 61 61 PHE CE1 C 131.397 0.300 1 614 61 61 PHE CE2 C 131.397 0.300 1 615 61 61 PHE CZ C 129.516 0.300 1 616 61 61 PHE N N 113.800 0.300 1 617 62 62 VAL H H 8.975 0.030 1 618 62 62 VAL HA H 4.287 0.030 1 619 62 62 VAL HB H 1.326 0.030 1 620 62 62 VAL HG1 H 0.270 0.030 1 621 62 62 VAL HG2 H 0.153 0.030 1 622 62 62 VAL C C 173.690 0.300 1 623 62 62 VAL CA C 61.354 0.300 1 624 62 62 VAL CB C 34.892 0.300 1 625 62 62 VAL CG1 C 22.188 0.300 2 626 62 62 VAL CG2 C 20.837 0.300 2 627 62 62 VAL N N 119.925 0.300 1 628 63 63 SER H H 8.781 0.030 1 629 63 63 SER HA H 5.525 0.030 1 630 63 63 SER HB2 H 3.454 0.030 1 631 63 63 SER HB3 H 3.454 0.030 1 632 63 63 SER C C 172.763 0.300 1 633 63 63 SER CA C 57.453 0.300 1 634 63 63 SER CB C 64.156 0.300 1 635 63 63 SER N N 122.342 0.300 1 636 64 64 PHE H H 9.269 0.030 1 637 64 64 PHE HA H 5.023 0.030 1 638 64 64 PHE HB2 H 2.798 0.030 2 639 64 64 PHE HB3 H 3.885 0.030 2 640 64 64 PHE HD1 H 7.223 0.030 1 641 64 64 PHE HD2 H 7.223 0.030 1 642 64 64 PHE HE1 H 7.060 0.030 1 643 64 64 PHE HE2 H 7.060 0.030 1 644 64 64 PHE HZ H 7.372 0.030 1 645 64 64 PHE C C 175.760 0.300 1 646 64 64 PHE CA C 57.048 0.300 1 647 64 64 PHE CB C 42.575 0.300 1 648 64 64 PHE CD1 C 131.928 0.300 1 649 64 64 PHE CD2 C 131.928 0.300 1 650 64 64 PHE CE1 C 130.977 0.300 1 651 64 64 PHE CE2 C 130.977 0.300 1 652 64 64 PHE CZ C 129.125 0.300 1 653 64 64 PHE N N 121.974 0.300 1 654 65 65 PHE H H 7.742 0.030 1 655 65 65 PHE HA H 3.954 0.030 1 656 65 65 PHE HB2 H 3.163 0.030 2 657 65 65 PHE HB3 H 2.954 0.030 2 658 65 65 PHE HD1 H 7.160 0.030 1 659 65 65 PHE HD2 H 7.160 0.030 1 660 65 65 PHE HE1 H 7.237 0.030 1 661 65 65 PHE HE2 H 7.237 0.030 1 662 65 65 PHE HZ H 7.324 0.030 1 663 65 65 PHE C C 175.877 0.300 1 664 65 65 PHE CA C 61.424 0.300 1 665 65 65 PHE CB C 40.097 0.300 1 666 65 65 PHE CD1 C 131.640 0.300 1 667 65 65 PHE CD2 C 131.640 0.300 1 668 65 65 PHE CE1 C 131.430 0.300 1 669 65 65 PHE CE2 C 131.430 0.300 1 670 65 65 PHE CZ C 129.808 0.300 1 671 65 65 PHE N N 117.919 0.300 1 672 66 66 ASN H H 8.660 0.030 1 673 66 66 ASN HA H 5.004 0.030 1 674 66 66 ASN HB2 H 2.539 0.030 2 675 66 66 ASN HB3 H 2.140 0.030 2 676 66 66 ASN HD21 H 7.061 0.030 2 677 66 66 ASN HD22 H 7.624 0.030 2 678 66 66 ASN C C 174.797 0.300 1 679 66 66 ASN CA C 51.736 0.300 1 680 66 66 ASN CB C 40.796 0.300 1 681 66 66 ASN N N 114.192 0.300 1 682 66 66 ASN ND2 N 114.481 0.300 1 683 67 67 LYS H H 8.177 0.030 1 684 67 67 LYS HA H 2.870 0.030 1 685 67 67 LYS HB2 H 0.900 0.030 2 686 67 67 LYS HB3 H 0.398 0.030 2 687 67 67 LYS HD2 H 1.319 0.030 1 688 67 67 LYS HD3 H 1.319 0.030 1 689 67 67 LYS HE2 H 2.586 0.030 2 690 67 67 LYS HE3 H 2.657 0.030 2 691 67 67 LYS HG2 H 0.826 0.030 2 692 67 67 LYS HG3 H 1.091 0.030 2 693 67 67 LYS C C 177.129 0.300 1 694 67 67 LYS CA C 60.196 0.300 1 695 67 67 LYS CB C 32.205 0.300 1 696 67 67 LYS CD C 29.350 0.300 1 697 67 67 LYS CE C 42.010 0.300 1 698 67 67 LYS CG C 25.078 0.300 1 699 67 67 LYS N N 126.632 0.300 1 700 68 68 TRP H H 7.591 0.030 1 701 68 68 TRP HA H 4.473 0.030 1 702 68 68 TRP HB2 H 3.284 0.030 2 703 68 68 TRP HB3 H 3.346 0.030 2 704 68 68 TRP HD1 H 7.346 0.030 1 705 68 68 TRP HE1 H 10.204 0.030 1 706 68 68 TRP HE3 H 7.756 0.030 1 707 68 68 TRP HH2 H 7.254 0.030 1 708 68 68 TRP HZ2 H 7.497 0.030 1 709 68 68 TRP HZ3 H 7.228 0.030 1 710 68 68 TRP C C 177.882 0.300 1 711 68 68 TRP CA C 59.386 0.300 1 712 68 68 TRP CB C 27.882 0.300 1 713 68 68 TRP CD1 C 128.266 0.300 1 714 68 68 TRP CE3 C 120.815 0.300 1 715 68 68 TRP CH2 C 124.737 0.300 1 716 68 68 TRP CZ2 C 114.693 0.300 1 717 68 68 TRP CZ3 C 122.418 0.300 1 718 68 68 TRP N N 116.640 0.300 1 719 68 68 TRP NE1 N 130.153 0.300 1 720 69 69 ASP H H 6.919 0.030 1 721 69 69 ASP HA H 4.387 0.030 1 722 69 69 ASP HB2 H 2.627 0.030 2 723 69 69 ASP HB3 H 2.686 0.030 2 724 69 69 ASP C C 176.492 0.300 1 725 69 69 ASP CA C 56.892 0.300 1 726 69 69 ASP CB C 40.674 0.300 1 727 69 69 ASP N N 121.269 0.300 1 728 70 70 ALA H H 6.618 0.030 1 729 70 70 ALA HA H 2.982 0.030 1 730 70 70 ALA HB H 1.316 0.030 1 731 70 70 ALA C C 177.961 0.300 1 732 70 70 ALA CA C 54.502 0.300 1 733 70 70 ALA CB C 19.270 0.300 1 734 70 70 ALA N N 119.710 0.300 1 735 71 71 GLU H H 8.324 0.030 1 736 71 71 GLU HA H 3.488 0.030 1 737 71 71 GLU HB2 H 2.263 0.030 2 738 71 71 GLU HB3 H 2.073 0.030 2 739 71 71 GLU HG2 H 2.455 0.030 2 740 71 71 GLU HG3 H 2.365 0.030 2 741 71 71 GLU C C 178.966 0.300 1 742 71 71 GLU CA C 59.734 0.300 1 743 71 71 GLU CB C 30.142 0.300 1 744 71 71 GLU CG C 37.012 0.300 1 745 71 71 GLU N N 117.148 0.300 1 746 72 72 ASN H H 7.942 0.030 1 747 72 72 ASN HA H 4.302 0.030 1 748 72 72 ASN HB2 H 2.733 0.030 2 749 72 72 ASN HB3 H 2.672 0.030 2 750 72 72 ASN HD21 H 6.745 0.030 2 751 72 72 ASN HD22 H 8.022 0.030 2 752 72 72 ASN C C 176.298 0.300 1 753 72 72 ASN CA C 55.770 0.300 1 754 72 72 ASN CB C 38.320 0.300 1 755 72 72 ASN N N 117.921 0.300 1 756 72 72 ASN ND2 N 113.509 0.300 1 757 73 73 ALA H H 7.894 0.030 1 758 73 73 ALA HA H 2.430 0.030 1 759 73 73 ALA HB H 1.200 0.030 1 760 73 73 ALA C C 179.391 0.300 1 761 73 73 ALA CA C 54.980 0.300 1 762 73 73 ALA CB C 19.110 0.300 1 763 73 73 ALA N N 121.657 0.300 1 764 74 74 ILE H H 8.100 0.030 1 765 74 74 ILE HA H 3.012 0.030 1 766 74 74 ILE HB H 1.454 0.030 1 767 74 74 ILE HD1 H -0.659 0.030 1 768 74 74 ILE HG12 H 1.410 0.030 2 769 74 74 ILE HG13 H 0.176 0.030 2 770 74 74 ILE HG2 H 0.559 0.030 1 771 74 74 ILE C C 179.084 0.300 1 772 74 74 ILE CA C 66.483 0.300 1 773 74 74 ILE CB C 38.333 0.300 1 774 74 74 ILE CD1 C 11.194 0.300 1 775 74 74 ILE CG1 C 32.023 0.300 1 776 74 74 ILE CG2 C 16.858 0.300 1 777 74 74 ILE N N 116.550 0.300 1 778 75 75 GLN H H 7.650 0.030 1 779 75 75 GLN HA H 3.924 0.030 1 780 75 75 GLN HB2 H 2.148 0.030 2 781 75 75 GLN HB3 H 2.116 0.030 2 782 75 75 GLN HE21 H 6.883 0.030 2 783 75 75 GLN HE22 H 7.648 0.030 2 784 75 75 GLN HG2 H 2.419 0.030 2 785 75 75 GLN HG3 H 2.454 0.030 2 786 75 75 GLN C C 178.500 0.300 1 787 75 75 GLN CA C 58.465 0.300 1 788 75 75 GLN CB C 28.778 0.300 1 789 75 75 GLN CG C 33.546 0.300 1 790 75 75 GLN N N 117.099 0.300 1 791 75 75 GLN NE2 N 112.983 0.300 1 792 76 76 GLN H H 8.434 0.030 1 793 76 76 GLN HA H 4.125 0.030 1 794 76 76 GLN HB2 H 2.021 0.030 2 795 76 76 GLN HB3 H 1.502 0.030 2 796 76 76 GLN HG2 H 2.460 0.030 2 797 76 76 GLN HG3 H 2.429 0.030 2 798 76 76 GLN C C 178.303 0.300 1 799 76 76 GLN CA C 57.516 0.300 1 800 76 76 GLN CB C 29.193 0.300 1 801 76 76 GLN CG C 34.034 0.300 1 802 76 76 GLN N N 114.704 0.300 1 803 77 77 MET H H 7.704 0.030 1 804 77 77 MET HA H 4.733 0.030 1 805 77 77 MET HB2 H 1.984 0.030 2 806 77 77 MET HB3 H 1.587 0.030 2 807 77 77 MET HE H 1.494 0.030 1 808 77 77 MET HG2 H 1.338 0.030 2 809 77 77 MET HG3 H 1.688 0.030 2 810 77 77 MET C C 177.439 0.300 1 811 77 77 MET CA C 53.607 0.300 1 812 77 77 MET CB C 30.650 0.300 1 813 77 77 MET CE C 15.777 0.300 1 814 77 77 MET CG C 33.500 0.300 1 815 77 77 MET N N 113.099 0.300 1 816 78 78 GLY H H 7.059 0.030 1 817 78 78 GLY HA2 H 3.691 0.030 2 818 78 78 GLY HA3 H 3.845 0.030 2 819 78 78 GLY C C 175.546 0.300 1 820 78 78 GLY CA C 48.950 0.300 1 821 78 78 GLY N N 106.985 0.300 1 822 79 79 GLY H H 8.473 0.030 1 823 79 79 GLY HA2 H 4.192 0.030 2 824 79 79 GLY HA3 H 3.626 0.030 2 825 79 79 GLY C C 174.455 0.300 1 826 79 79 GLY CA C 45.757 0.300 1 827 79 79 GLY N N 115.374 0.300 1 828 80 80 GLN H H 7.627 0.030 1 829 80 80 GLN HA H 4.324 0.030 1 830 80 80 GLN HB2 H 2.188 0.030 2 831 80 80 GLN HB3 H 1.975 0.030 2 832 80 80 GLN HE21 H 6.991 0.030 2 833 80 80 GLN HE22 H 7.563 0.030 2 834 80 80 GLN HG2 H 2.292 0.030 2 835 80 80 GLN HG3 H 2.786 0.030 2 836 80 80 GLN C C 175.007 0.300 1 837 80 80 GLN CA C 55.290 0.300 1 838 80 80 GLN CB C 28.709 0.300 1 839 80 80 GLN CG C 34.604 0.300 1 840 80 80 GLN N N 119.029 0.300 1 841 80 80 GLN NE2 N 114.727 0.300 1 842 81 81 TRP H H 8.636 0.030 1 843 81 81 TRP HA H 4.505 0.030 1 844 81 81 TRP HB2 H 3.095 0.030 2 845 81 81 TRP HB3 H 3.031 0.030 2 846 81 81 TRP HD1 H 7.353 0.030 1 847 81 81 TRP HE1 H 10.154 0.030 1 848 81 81 TRP HE3 H 7.209 0.030 1 849 81 81 TRP HH2 H 7.193 0.030 1 850 81 81 TRP HZ2 H 7.401 0.030 1 851 81 81 TRP HZ3 H 7.046 0.030 1 852 81 81 TRP C C 176.536 0.300 1 853 81 81 TRP CA C 57.641 0.300 1 854 81 81 TRP CB C 29.074 0.300 1 855 81 81 TRP CD1 C 127.213 0.300 1 856 81 81 TRP CE3 C 119.726 0.300 1 857 81 81 TRP CH2 C 124.584 0.300 1 858 81 81 TRP CZ2 C 114.738 0.300 1 859 81 81 TRP CZ3 C 121.870 0.300 1 860 81 81 TRP N N 120.979 0.300 1 861 81 81 TRP NE1 N 129.536 0.300 1 862 82 82 LEU H H 8.609 0.030 1 863 82 82 LEU HA H 4.688 0.030 1 864 82 82 LEU HB2 H 1.707 0.030 2 865 82 82 LEU HB3 H 1.387 0.030 2 866 82 82 LEU HD1 H 0.864 0.030 1 867 82 82 LEU HD2 H 0.795 0.030 1 868 82 82 LEU HG H 1.508 0.030 1 869 82 82 LEU C C 176.712 0.300 1 870 82 82 LEU CA C 54.813 0.300 1 871 82 82 LEU CB C 44.114 0.300 1 872 82 82 LEU CD1 C 24.456 0.300 2 873 82 82 LEU CD2 C 25.283 0.300 2 874 82 82 LEU CG C 27.549 0.300 1 875 82 82 LEU N N 125.881 0.300 1 876 83 83 GLY H H 9.331 0.030 1 877 83 83 GLY HA2 H 3.858 0.030 1 878 83 83 GLY HA3 H 3.858 0.030 1 879 83 83 GLY C C 175.658 0.300 1 880 83 83 GLY CA C 47.245 0.300 1 881 83 83 GLY N N 115.425 0.300 1 882 84 84 GLY H H 8.756 0.030 1 883 84 84 GLY HA2 H 4.156 0.030 2 884 84 84 GLY HA3 H 4.020 0.030 2 885 84 84 GLY C C 173.687 0.300 1 886 84 84 GLY CA C 45.832 0.300 1 887 84 84 GLY N N 107.647 0.300 1 888 85 85 ARG H H 7.644 0.030 1 889 85 85 ARG HA H 4.703 0.030 1 890 85 85 ARG HB2 H 1.951 0.030 2 891 85 85 ARG HB3 H 1.788 0.030 2 892 85 85 ARG HD2 H 3.023 0.030 2 893 85 85 ARG HD3 H 3.080 0.030 2 894 85 85 ARG HG2 H 1.622 0.030 2 895 85 85 ARG HG3 H 1.723 0.030 2 896 85 85 ARG C C 173.689 0.300 1 897 85 85 ARG CA C 55.058 0.300 1 898 85 85 ARG CB C 34.148 0.300 1 899 85 85 ARG CD C 43.365 0.300 1 900 85 85 ARG CG C 26.852 0.300 1 901 85 85 ARG N N 118.515 0.300 1 902 86 86 GLN H H 7.822 0.030 1 903 86 86 GLN HA H 3.956 0.030 1 904 86 86 GLN HB2 H 1.184 0.030 2 905 86 86 GLN HB3 H 0.958 0.030 2 906 86 86 GLN HE21 H 6.763 0.030 2 907 86 86 GLN HE22 H 7.451 0.030 2 908 86 86 GLN HG2 H 0.801 0.030 2 909 86 86 GLN HG3 H 0.351 0.030 2 910 86 86 GLN C C 176.124 0.300 1 911 86 86 GLN CA C 55.105 0.300 1 912 86 86 GLN CB C 29.736 0.300 1 913 86 86 GLN CG C 33.348 0.300 1 914 86 86 GLN N N 121.709 0.300 1 915 86 86 GLN NE2 N 112.313 0.300 1 916 87 87 ILE H H 8.176 0.030 1 917 87 87 ILE HA H 4.650 0.030 1 918 87 87 ILE HB H 2.059 0.030 1 919 87 87 ILE HD1 H 0.754 0.030 1 920 87 87 ILE HG12 H 1.370 0.030 1 921 87 87 ILE HG13 H 1.370 0.030 1 922 87 87 ILE HG2 H 0.908 0.030 1 923 87 87 ILE C C 176.067 0.300 1 924 87 87 ILE CA C 61.069 0.300 1 925 87 87 ILE CB C 39.996 0.300 1 926 87 87 ILE CD1 C 14.665 0.300 1 927 87 87 ILE CG1 C 24.907 0.300 1 928 87 87 ILE CG2 C 19.939 0.300 1 929 87 87 ILE N N 118.136 0.300 1 930 88 88 ARG H H 7.937 0.030 1 931 88 88 ARG HA H 4.956 0.030 1 932 88 88 ARG HB2 H 1.752 0.030 2 933 88 88 ARG HB3 H 1.603 0.030 2 934 88 88 ARG HD2 H 3.204 0.030 1 935 88 88 ARG HD3 H 3.204 0.030 1 936 88 88 ARG HG2 H 1.499 0.030 2 937 88 88 ARG HG3 H 1.577 0.030 2 938 88 88 ARG C C 175.180 0.300 1 939 88 88 ARG CA C 53.876 0.300 1 940 88 88 ARG CB C 33.521 0.300 1 941 88 88 ARG CD C 43.509 0.300 1 942 88 88 ARG CG C 27.268 0.300 1 943 88 88 ARG N N 119.712 0.300 1 944 89 89 THR H H 8.432 0.030 1 945 89 89 THR HA H 5.662 0.030 1 946 89 89 THR HB H 3.934 0.030 1 947 89 89 THR HG2 H 1.069 0.030 1 948 89 89 THR C C 174.170 0.300 1 949 89 89 THR CA C 58.361 0.300 1 950 89 89 THR CB C 71.376 0.300 1 951 89 89 THR CG2 C 23.288 0.300 1 952 89 89 THR N N 110.638 0.300 1 953 90 90 ASN H H 8.649 0.030 1 954 90 90 ASN HA H 4.695 0.030 1 955 90 90 ASN HB2 H 2.973 0.030 2 956 90 90 ASN HB3 H 2.908 0.030 2 957 90 90 ASN C C 174.253 0.300 1 958 90 90 ASN CA C 52.670 0.300 1 959 90 90 ASN CB C 42.113 0.300 1 960 90 90 ASN N N 114.907 0.300 1 961 91 91 TRP H H 8.781 0.030 1 962 91 91 TRP HA H 4.884 0.030 1 963 91 91 TRP HB2 H 3.065 0.030 2 964 91 91 TRP HB3 H 3.509 0.030 2 965 91 91 TRP HD1 H 7.412 0.030 1 966 91 91 TRP HE1 H 10.362 0.030 1 967 91 91 TRP HE3 H 8.084 0.030 1 968 91 91 TRP HH2 H 7.166 0.030 1 969 91 91 TRP HZ2 H 7.439 0.030 1 970 91 91 TRP HZ3 H 7.059 0.030 1 971 91 91 TRP C C 177.330 0.300 1 972 91 91 TRP CA C 58.417 0.300 1 973 91 91 TRP CB C 30.350 0.300 1 974 91 91 TRP CD1 C 127.415 0.300 1 975 91 91 TRP CE3 C 121.685 0.300 1 976 91 91 TRP CH2 C 123.806 0.300 1 977 91 91 TRP CZ2 C 114.086 0.300 1 978 91 91 TRP CZ3 C 121.331 0.300 1 979 91 91 TRP N N 122.030 0.300 1 980 91 91 TRP NE1 N 129.256 0.300 1 981 92 92 ALA H H 8.937 0.030 1 982 92 92 ALA HA H 4.721 0.030 1 983 92 92 ALA HB H 1.605 0.030 1 984 92 92 ALA C C 177.525 0.300 1 985 92 92 ALA CA C 52.379 0.300 1 986 92 92 ALA CB C 19.825 0.300 1 987 92 92 ALA N N 125.688 0.300 1 988 93 93 THR HA H 4.335 0.030 1 989 93 93 THR HB H 4.216 0.030 1 990 93 93 THR HG2 H 1.207 0.030 1 991 93 93 THR C C 174.204 0.300 1 992 93 93 THR CA C 62.115 0.300 1 993 93 93 THR CB C 69.662 0.300 1 994 93 93 THR CG2 C 21.938 0.300 1 995 94 94 ARG H H 8.182 0.030 1 996 94 94 ARG HA H 4.305 0.030 1 997 94 94 ARG HB2 H 1.613 0.030 2 998 94 94 ARG HB3 H 1.750 0.030 2 999 94 94 ARG HD2 H 2.994 0.030 1 1000 94 94 ARG HD3 H 2.994 0.030 1 1001 94 94 ARG HG2 H 1.439 0.030 1 1002 94 94 ARG HG3 H 1.439 0.030 1 1003 94 94 ARG C C 175.198 0.300 1 1004 94 94 ARG CA C 55.335 0.300 1 1005 94 94 ARG CB C 31.207 0.300 1 1006 94 94 ARG CD C 43.259 0.300 1 1007 94 94 ARG CG C 26.641 0.300 1 1008 94 94 ARG N N 122.332 0.300 1 1009 95 95 LYS H H 8.235 0.030 1 1010 95 95 LYS HA H 4.268 0.030 1 1011 95 95 LYS HB2 H 1.577 0.030 2 1012 95 95 LYS HB3 H 1.459 0.030 2 1013 95 95 LYS HD2 H 1.479 0.030 1 1014 95 95 LYS HD3 H 1.479 0.030 1 1015 95 95 LYS HE2 H 2.851 0.030 1 1016 95 95 LYS HE3 H 2.851 0.030 1 1017 95 95 LYS HG2 H 1.216 0.030 1 1018 95 95 LYS HG3 H 1.216 0.030 1 1019 95 95 LYS C C 173.742 0.300 1 1020 95 95 LYS CA C 53.972 0.300 1 1021 95 95 LYS CB C 32.359 0.300 1 1022 95 95 LYS CD C 29.176 0.300 1 1023 95 95 LYS CE C 42.036 0.300 1 1024 95 95 LYS CG C 24.312 0.300 1 1025 95 95 LYS N N 123.743 0.300 1 1026 96 96 PRO HA H 4.412 0.030 1 1027 96 96 PRO HB2 H 2.110 0.030 2 1028 96 96 PRO HB3 H 1.722 0.030 2 1029 96 96 PRO HD2 H 3.249 0.030 2 1030 96 96 PRO HD3 H 3.500 0.030 2 1031 96 96 PRO HG2 H 1.782 0.030 2 1032 96 96 PRO HG3 H 1.866 0.030 2 1033 96 96 PRO CA C 61.292 0.300 1 1034 96 96 PRO CB C 30.631 0.300 1 1035 96 96 PRO CD C 50.307 0.300 1 1036 96 96 PRO CG C 27.289 0.300 1 1037 97 97 PRO HA H 4.323 0.030 1 1038 97 97 PRO HB2 H 1.828 0.030 2 1039 97 97 PRO HB3 H 2.202 0.030 2 1040 97 97 PRO HD2 H 3.459 0.030 2 1041 97 97 PRO HD3 H 3.639 0.030 2 1042 97 97 PRO HG2 H 1.934 0.030 1 1043 97 97 PRO HG3 H 1.934 0.030 1 1044 97 97 PRO C C 176.065 0.300 1 1045 97 97 PRO CA C 62.586 0.300 1 1046 97 97 PRO CB C 31.926 0.300 1 1047 97 97 PRO CD C 50.338 0.300 1 1048 97 97 PRO CG C 27.332 0.300 1 1049 98 98 ALA H H 8.302 0.030 1 1050 98 98 ALA HA H 4.522 0.030 1 1051 98 98 ALA HB H 1.318 0.030 1 1052 98 98 ALA C C 175.510 0.300 1 1053 98 98 ALA CA C 50.338 0.300 1 1054 98 98 ALA CB C 18.089 0.300 1 1055 98 98 ALA N N 125.542 0.300 1 1056 99 99 PRO HA H 4.409 0.030 1 1057 99 99 PRO HB2 H 2.286 0.030 2 1058 99 99 PRO HB3 H 1.899 0.030 2 1059 99 99 PRO HD2 H 3.612 0.030 2 1060 99 99 PRO HD3 H 3.761 0.030 2 1061 99 99 PRO HG2 H 2.002 0.030 1 1062 99 99 PRO HG3 H 2.002 0.030 1 1063 99 99 PRO C C 176.871 0.300 1 1064 99 99 PRO CA C 62.963 0.300 1 1065 99 99 PRO CB C 32.175 0.300 1 1066 99 99 PRO CD C 50.505 0.300 1 1067 99 99 PRO CG C 27.435 0.300 1 1068 100 100 LYS H H 8.416 0.030 1 1069 100 100 LYS HA H 4.268 0.030 1 1070 100 100 LYS HB2 H 1.764 0.030 1 1071 100 100 LYS HB3 H 1.764 0.030 1 1072 100 100 LYS HD2 H 1.649 0.030 1 1073 100 100 LYS HD3 H 1.649 0.030 1 1074 100 100 LYS HE2 H 2.942 0.030 1 1075 100 100 LYS HE3 H 2.942 0.030 1 1076 100 100 LYS HG2 H 1.406 0.030 1 1077 100 100 LYS HG3 H 1.406 0.030 1 1078 100 100 LYS C C 176.668 0.300 1 1079 100 100 LYS CA C 56.393 0.300 1 1080 100 100 LYS CB C 32.992 0.300 1 1081 100 100 LYS CD C 29.184 0.300 1 1082 100 100 LYS CE C 42.176 0.300 1 1083 100 100 LYS CG C 24.770 0.300 1 1084 100 100 LYS N N 121.643 0.300 1 1085 101 101 SER H H 8.359 0.030 1 1086 101 101 SER HA H 4.444 0.030 1 1087 101 101 SER HB2 H 3.811 0.030 2 1088 101 101 SER C C 174.661 0.300 1 1089 101 101 SER CA C 58.222 0.300 1 1090 101 101 SER CB C 63.803 0.300 1 1091 101 101 SER N N 117.008 0.300 1 1092 102 102 THR H H 8.137 0.030 1 1093 102 102 THR HA H 4.260 0.030 1 1094 102 102 THR HB H 4.175 0.030 1 1095 102 102 THR HG2 H 1.124 0.030 1 1096 102 102 THR C C 174.222 0.300 1 1097 102 102 THR CA C 61.965 0.300 1 1098 102 102 THR CB C 69.627 0.300 1 1099 102 102 THR CG2 C 21.584 0.300 1 1100 102 102 THR N N 115.639 0.300 1 1101 103 103 TYR H H 8.138 0.030 1 1102 103 103 TYR HA H 4.553 0.030 1 1103 103 103 TYR HB2 H 2.936 0.030 2 1104 103 103 TYR HB3 H 3.039 0.030 2 1105 103 103 TYR HD1 H 7.094 0.030 1 1106 103 103 TYR HD2 H 7.094 0.030 1 1107 103 103 TYR HE1 H 6.800 0.030 1 1108 103 103 TYR HE2 H 6.800 0.030 1 1109 103 103 TYR C C 175.715 0.300 1 1110 103 103 TYR CA C 58.098 0.300 1 1111 103 103 TYR CB C 38.759 0.300 1 1112 103 103 TYR CD1 C 133.200 0.300 1 1113 103 103 TYR CD2 C 133.200 0.300 1 1114 103 103 TYR CE1 C 118.210 0.300 1 1115 103 103 TYR CE2 C 118.210 0.300 1 1116 103 103 TYR N N 121.861 0.300 1 1117 104 104 GLU H H 8.229 0.030 1 1118 104 104 GLU HA H 4.269 0.030 1 1119 104 104 GLU HB2 H 2.010 0.030 2 1120 104 104 GLU HB3 H 1.895 0.030 2 1121 104 104 GLU HG2 H 2.210 0.030 1 1122 104 104 GLU HG3 H 2.210 0.030 1 1123 104 104 GLU C C 176.156 0.300 1 1124 104 104 GLU CA C 56.434 0.300 1 1125 104 104 GLU CB C 30.514 0.300 1 1126 104 104 GLU CG C 36.315 0.300 1 1127 104 104 GLU N N 122.657 0.300 1 1128 105 105 SER H H 8.273 0.030 1 1129 105 105 SER C C 174.441 0.300 1 1130 105 105 SER CA C 58.500 0.300 1 1131 105 105 SER CB C 63.834 0.300 1 1132 105 105 SER N N 116.774 0.300 1 1133 106 106 ASN HA H 4.730 0.030 1 1134 106 106 ASN HB2 H 2.799 0.030 2 1135 106 106 ASN HB3 H 2.863 0.030 2 1136 106 106 ASN C C 175.466 0.300 1 1137 106 106 ASN CA C 53.379 0.300 1 1138 106 106 ASN CB C 38.810 0.300 1 1139 107 107 THR H H 8.087 0.030 1 1140 107 107 THR HA H 4.285 0.030 1 1141 107 107 THR HB H 4.220 0.030 1 1142 107 107 THR HG2 H 1.179 0.030 1 1143 107 107 THR C C 174.570 0.300 1 1144 107 107 THR CA C 62.006 0.300 1 1145 107 107 THR CB C 69.766 0.300 1 1146 107 107 THR CG2 C 21.605 0.300 1 1147 107 107 THR N N 114.197 0.300 1 1148 108 108 LYS H H 8.284 0.030 1 1149 108 108 LYS HA H 4.276 0.030 1 1150 108 108 LYS HB2 H 1.755 0.030 1 1151 108 108 LYS HB3 H 1.755 0.030 1 1152 108 108 LYS HD2 H 1.641 0.030 1 1153 108 108 LYS HD3 H 1.641 0.030 1 1154 108 108 LYS HE2 H 2.950 0.030 1 1155 108 108 LYS HE3 H 2.950 0.030 1 1156 108 108 LYS HG2 H 1.372 0.030 1 1157 108 108 LYS HG3 H 1.372 0.030 1 1158 108 108 LYS C C 176.450 0.300 1 1159 108 108 LYS CA C 56.393 0.300 1 1160 108 108 LYS CB C 34.979 0.300 1 1161 108 108 LYS CD C 29.017 0.300 1 1162 108 108 LYS CE C 42.259 0.300 1 1163 108 108 LYS CG C 24.770 0.300 1 1164 108 108 LYS N N 123.614 0.300 1 1165 109 109 GLN H H 8.372 0.030 1 1166 109 109 GLN HA H 4.368 0.030 1 1167 109 109 GLN HB2 H 2.120 0.030 2 1168 109 109 GLN HB3 H 1.979 0.030 2 1169 109 109 GLN HG2 H 2.354 0.030 1 1170 109 109 GLN HG3 H 2.354 0.030 1 1171 109 109 GLN C C 175.875 0.300 1 1172 109 109 GLN CA C 55.838 0.300 1 1173 109 109 GLN CB C 29.475 0.300 1 1174 109 109 GLN CG C 33.848 0.300 1 1175 109 109 GLN N N 121.835 0.300 1 1176 110 110 SER H H 8.364 0.030 1 1177 110 110 SER HA H 4.462 0.030 1 1178 110 110 SER HB2 H 3.828 0.030 2 1179 110 110 SER C C 174.434 0.300 1 1180 110 110 SER CA C 58.417 0.300 1 1181 110 110 SER CB C 64.081 0.300 1 1182 110 110 SER N N 117.428 0.300 1 1183 111 111 GLY H H 8.250 0.030 1 1184 111 111 GLY HA2 H 4.145 0.030 2 1185 111 111 GLY HA3 H 4.098 0.030 2 1186 111 111 GLY CA C 44.639 0.300 1 1187 111 111 GLY N N 110.736 0.300 1 1188 112 112 PRO HA H 4.468 0.030 1 1189 112 112 PRO HB2 H 2.229 0.030 2 1190 112 112 PRO HB3 H 1.924 0.030 2 1191 112 112 PRO HD2 H 3.596 0.030 2 1192 112 112 PRO HD3 H 3.625 0.030 2 1193 112 112 PRO HG2 H 1.976 0.030 1 1194 112 112 PRO HG3 H 1.976 0.030 1 1195 112 112 PRO C C 177.320 0.300 1 1196 112 112 PRO CA C 63.295 0.300 1 1197 112 112 PRO CB C 32.168 0.300 1 1198 112 112 PRO CD C 49.793 0.300 1 1199 112 112 PRO CG C 27.130 0.300 1 1200 113 113 SER H H 8.497 0.030 1 1201 113 113 SER HA H 4.453 0.030 1 1202 113 113 SER HB2 H 3.853 0.030 2 1203 113 113 SER C C 174.552 0.300 1 1204 113 113 SER CA C 58.500 0.300 1 1205 113 113 SER CB C 63.916 0.300 1 1206 113 113 SER N N 116.386 0.300 1 1207 114 114 SER H H 8.293 0.030 1 1208 114 114 SER HA H 4.454 0.030 1 1209 114 114 SER HB2 H 3.845 0.030 2 1210 114 114 SER C C 173.893 0.300 1 1211 114 114 SER CA C 58.209 0.300 1 1212 114 114 SER CB C 63.983 0.300 1 1213 114 114 SER N N 117.775 0.300 1 1214 115 115 GLY H H 8.033 0.030 1 1215 115 115 GLY HA2 H 3.743 0.030 2 1216 115 115 GLY HA3 H 3.791 0.030 2 1217 115 115 GLY C C 179.027 0.300 1 1218 115 115 GLY CA C 46.239 0.300 1 1219 115 115 GLY N N 116.818 0.300 1 stop_ save_