data_10235 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the C-terminal Phosphotyrosine Interaction Domain of APBB2 from Mouse ; _BMRB_accession_number 10235 _BMRB_flat_file_name bmr10235.str _Entry_type new _Submission_date 2008-08-22 _Accession_date 2008-08-22 _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 Li H. . . 2 Hayashi F. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 741 "13C chemical shifts" 567 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-19 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the C-terminal PID Domain of Fe65L1 Complexed with the Cytoplasmic Tail of APP Reveals a Novel Peptide Binding Mode ; _Citation_status Published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18650440 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Koshiba S. . . 3 Hayashi F. . . 4 Tochio N. . . 5 Tomozawa T. . . 6 Kasai T. . . 7 Yabuki T. . . 8 Motoda Y. . . 9 Harada T. . . 10 Watanabe S. . . 11 Inoue M. . . 12 Hayashizaki Y. . . 13 Tanaka A. . . 14 Kigawa T. . . 15 Yokoyama S. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'Journal of Biological Chemistry' _Journal_volume 283 _Journal_issue 40 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 27165 _Page_last 27178 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'amyloid beta (A4) precursor protein-bindin, family B, member 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Phosphotyrosine-Interaction 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 'Phosphotyrosine-Interaction Domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; GSSGSSGPTPKTELVQKFRV QYLGMLPVDRPVGMDTLNSA IENLMTSSSKEDWPSVNMNV ADATVTVISEKNEEEVLVEC RVRFLSFMGVGKDVHTFAFI MDTGNQRFECHVFWCEPNAA NVSEAVQAACSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 THR 10 PRO 11 LYS 12 THR 13 GLU 14 LEU 15 VAL 16 GLN 17 LYS 18 PHE 19 ARG 20 VAL 21 GLN 22 TYR 23 LEU 24 GLY 25 MET 26 LEU 27 PRO 28 VAL 29 ASP 30 ARG 31 PRO 32 VAL 33 GLY 34 MET 35 ASP 36 THR 37 LEU 38 ASN 39 SER 40 ALA 41 ILE 42 GLU 43 ASN 44 LEU 45 MET 46 THR 47 SER 48 SER 49 SER 50 LYS 51 GLU 52 ASP 53 TRP 54 PRO 55 SER 56 VAL 57 ASN 58 MET 59 ASN 60 VAL 61 ALA 62 ASP 63 ALA 64 THR 65 VAL 66 THR 67 VAL 68 ILE 69 SER 70 GLU 71 LYS 72 ASN 73 GLU 74 GLU 75 GLU 76 VAL 77 LEU 78 VAL 79 GLU 80 CYS 81 ARG 82 VAL 83 ARG 84 PHE 85 LEU 86 SER 87 PHE 88 MET 89 GLY 90 VAL 91 GLY 92 LYS 93 ASP 94 VAL 95 HIS 96 THR 97 PHE 98 ALA 99 PHE 100 ILE 101 MET 102 ASP 103 THR 104 GLY 105 ASN 106 GLN 107 ARG 108 PHE 109 GLU 110 CYS 111 HIS 112 VAL 113 PHE 114 TRP 115 CYS 116 GLU 117 PRO 118 ASN 119 ALA 120 ALA 121 ASN 122 VAL 123 SER 124 GLU 125 ALA 126 VAL 127 GLN 128 ALA 129 ALA 130 CYS 131 SER 132 GLY 133 PRO 134 SER 135 SER 136 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 10237 "PID domain and APP peptide" 100.00 185 100.00 100.00 5.06e-95 BMRB 10238 "APP peptide and PID domain" 95.59 176 100.00 100.00 9.18e-91 BMRB 10239 "APP peptide and PID domain" 95.59 185 100.00 100.00 1.21e-90 PDB 1WGU "Solution Structure Of The C-Terminal Phosphotyrosine Interaction Domain Of Apbb2 From Mouse" 100.00 136 100.00 100.00 5.23e-95 PDB 2ROZ "Structure Of The C-Terminal Pid Domain Of Fe65l1 Complexed With The Cytoplasmic Tail Of App Reveals A Novel Peptide Binding Mod" 100.00 136 100.00 100.00 5.23e-95 PDB 2YSZ "Solution Structure Of The Chimera Of The C-Terminal Pid Domain Of Fe65l And The C-Terminal Tail Peptide Of App" 100.00 185 100.00 100.00 5.06e-95 PDB 2YT0 "Solution Structure Of The Chimera Of The C-Terminal Tail Peptide Of App And The C-Terminal Pid Domain Of Fe65l" 95.59 176 100.00 100.00 9.18e-91 PDB 2YT1 "Solution Structure Of The Chimera Of The C-Terminal Tail Peptide Of App And The C-Terminal Pid Domain Of Fe65l" 95.59 185 100.00 100.00 1.21e-90 DBJ BAB23568 "unnamed protein product [Mus musculus]" 90.44 760 100.00 100.00 1.21e-79 DBJ BAE31851 "unnamed protein product [Mus musculus]" 90.44 738 100.00 100.00 5.68e-80 DBJ BAE39700 "unnamed protein product [Mus musculus]" 90.44 758 100.00 100.00 1.12e-79 DBJ BAE41482 "unnamed protein product [Mus musculus]" 90.44 736 100.00 100.00 6.36e-80 DBJ BAE42990 "unnamed protein product [Mus musculus]" 90.44 210 100.00 100.00 1.62e-85 GB AAD55360 "FE65-like protein [Mus musculus]" 61.03 141 97.59 98.80 1.97e-52 GB AAH76587 "Apbb2 protein [Mus musculus]" 90.44 737 100.00 100.00 5.70e-80 GB EDL37768 "amyloid beta (A4) precursor protein-binding, family B, member 2, isoform CRA_a [Mus musculus]" 90.44 731 100.00 100.00 6.28e-80 GB EDL90042 "similar to amyloid beta (A4) precursor protein-binding, family B, member 2 (predicted) [Rattus norvegicus]" 90.44 731 97.56 99.19 2.23e-78 GB EGW02447 "Amyloid beta A4 precursor protein-binding family B member 2, partial [Cricetulus griseus]" 90.44 468 97.56 99.19 1.75e-79 REF NP_001188342 "amyloid beta A4 precursor protein-binding family B member 2 isoform 2 [Mus musculus]" 90.44 758 100.00 100.00 1.12e-79 REF NP_001188343 "amyloid beta A4 precursor protein-binding family B member 2 isoform 3 [Mus musculus]" 90.44 738 100.00 100.00 5.56e-80 REF NP_001188344 "amyloid beta A4 precursor protein-binding family B member 2 isoform 4 [Mus musculus]" 90.44 737 100.00 100.00 5.70e-80 REF NP_001188345 "amyloid beta A4 precursor protein-binding family B member 2 isoform 5 [Mus musculus]" 90.44 210 100.00 100.00 1.62e-85 REF NP_001297555 "amyloid beta A4 precursor protein-binding family B member 2 isoform 6 [Mus musculus]" 90.44 736 100.00 100.00 6.36e-80 SP Q9DBR4 "RecName: Full=Amyloid beta A4 precursor protein-binding family B member 2" 90.44 760 100.00 100.00 1.21e-79 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_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P031020-58 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.84 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 2 mM . NaN3 0.02 % . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version 6.1c loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.897 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated 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' 120 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Phosphotyrosine-Interaction 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 8 8 PRO HA H 4.490 0.030 1 2 8 8 PRO HB2 H 1.898 0.030 2 3 8 8 PRO HB3 H 2.282 0.030 2 4 8 8 PRO HD2 H 3.650 0.030 1 5 8 8 PRO HD3 H 3.650 0.030 1 6 8 8 PRO HG2 H 1.899 0.030 1 7 8 8 PRO HG3 H 1.899 0.030 1 8 8 8 PRO CA C 63.022 0.300 1 9 8 8 PRO CB C 32.285 0.300 1 10 8 8 PRO CD C 49.838 0.300 1 11 8 8 PRO CG C 27.160 0.300 1 12 9 9 THR H H 8.340 0.030 1 13 9 9 THR HA H 4.555 0.030 1 14 9 9 THR HB H 4.117 0.030 1 15 9 9 THR HG2 H 1.276 0.030 1 16 9 9 THR CA C 60.006 0.300 1 17 9 9 THR CB C 69.779 0.300 1 18 9 9 THR CG2 C 21.590 0.300 1 19 9 9 THR N N 117.791 0.300 1 20 10 10 PRO HA H 4.416 0.030 1 21 10 10 PRO HB2 H 2.297 0.030 2 22 10 10 PRO HB3 H 1.898 0.030 2 23 10 10 PRO HD2 H 3.861 0.030 2 24 10 10 PRO HD3 H 3.684 0.030 2 25 10 10 PRO HG2 H 2.020 0.030 2 26 10 10 PRO HG3 H 1.980 0.030 2 27 10 10 PRO C C 176.856 0.300 1 28 10 10 PRO CA C 63.219 0.300 1 29 10 10 PRO CB C 32.441 0.300 1 30 10 10 PRO CD C 51.164 0.300 1 31 10 10 PRO CG C 27.241 0.300 1 32 11 11 LYS H H 8.465 0.030 1 33 11 11 LYS HA H 4.340 0.030 1 34 11 11 LYS HB2 H 1.841 0.030 2 35 11 11 LYS HB3 H 1.779 0.030 2 36 11 11 LYS HD2 H 1.676 0.030 1 37 11 11 LYS HD3 H 1.676 0.030 1 38 11 11 LYS HE2 H 2.988 0.030 1 39 11 11 LYS HE3 H 2.988 0.030 1 40 11 11 LYS HG2 H 1.471 0.030 2 41 11 11 LYS HG3 H 1.423 0.030 2 42 11 11 LYS C C 176.865 0.300 1 43 11 11 LYS CA C 56.505 0.300 1 44 11 11 LYS CB C 33.070 0.300 1 45 11 11 LYS CD C 29.056 0.300 1 46 11 11 LYS CE C 42.255 0.300 1 47 11 11 LYS CG C 24.703 0.300 1 48 11 11 LYS N N 122.135 0.300 1 49 12 12 THR H H 8.155 0.030 1 50 12 12 THR HA H 4.286 0.030 1 51 12 12 THR HB H 4.180 0.030 1 52 12 12 THR HG2 H 1.178 0.030 1 53 12 12 THR C C 174.392 0.300 1 54 12 12 THR CA C 61.996 0.300 1 55 12 12 THR CB C 69.710 0.300 1 56 12 12 THR CG2 C 21.678 0.300 1 57 12 12 THR N N 115.604 0.300 1 58 13 13 GLU H H 8.424 0.030 1 59 13 13 GLU HA H 4.326 0.030 1 60 13 13 GLU HB2 H 2.046 0.030 2 61 13 13 GLU HB3 H 1.914 0.030 2 62 13 13 GLU HG2 H 2.249 0.030 1 63 13 13 GLU HG3 H 2.249 0.030 1 64 13 13 GLU C C 175.983 0.300 1 65 13 13 GLU CA C 56.322 0.300 1 66 13 13 GLU CB C 30.380 0.300 1 67 13 13 GLU CG C 36.217 0.300 1 68 13 13 GLU N N 123.426 0.300 1 69 14 14 LEU H H 8.254 0.030 1 70 14 14 LEU HA H 4.339 0.030 1 71 14 14 LEU HB2 H 1.617 0.030 2 72 14 14 LEU HB3 H 1.586 0.030 2 73 14 14 LEU HD1 H 0.902 0.030 1 74 14 14 LEU HD2 H 0.844 0.030 1 75 14 14 LEU HG H 1.560 0.030 1 76 14 14 LEU C C 176.602 0.300 1 77 14 14 LEU CA C 55.273 0.300 1 78 14 14 LEU CB C 42.418 0.300 1 79 14 14 LEU CD1 C 24.773 0.300 2 80 14 14 LEU CD2 C 23.720 0.300 2 81 14 14 LEU CG C 27.020 0.300 1 82 14 14 LEU N N 123.738 0.300 1 83 15 15 VAL H H 8.037 0.030 1 84 15 15 VAL HA H 4.270 0.030 1 85 15 15 VAL HB H 1.920 0.030 1 86 15 15 VAL HG1 H 0.859 0.030 1 87 15 15 VAL HG2 H 0.748 0.030 1 88 15 15 VAL C C 175.510 0.300 1 89 15 15 VAL CA C 61.730 0.300 1 90 15 15 VAL CB C 33.503 0.300 1 91 15 15 VAL CG1 C 20.982 0.300 2 92 15 15 VAL CG2 C 20.931 0.300 2 93 15 15 VAL N N 122.473 0.300 1 94 16 16 GLN H H 8.313 0.030 1 95 16 16 GLN HA H 4.349 0.030 1 96 16 16 GLN HB2 H 1.890 0.030 1 97 16 16 GLN HB3 H 1.890 0.030 1 98 16 16 GLN HE21 H 6.919 0.030 2 99 16 16 GLN HE22 H 7.496 0.030 2 100 16 16 GLN HG2 H 2.147 0.030 2 101 16 16 GLN HG3 H 2.273 0.030 2 102 16 16 GLN C C 173.342 0.300 1 103 16 16 GLN CA C 55.218 0.300 1 104 16 16 GLN CB C 31.565 0.300 1 105 16 16 GLN CG C 34.392 0.300 1 106 16 16 GLN N N 125.279 0.300 1 107 16 16 GLN NE2 N 111.580 0.300 1 108 17 17 LYS H H 7.746 0.030 1 109 17 17 LYS HA H 5.102 0.030 1 110 17 17 LYS HB2 H 1.543 0.030 2 111 17 17 LYS HB3 H 1.455 0.030 2 112 17 17 LYS HD2 H 1.520 0.030 1 113 17 17 LYS HD3 H 1.520 0.030 1 114 17 17 LYS HE2 H 2.806 0.030 1 115 17 17 LYS HE3 H 2.806 0.030 1 116 17 17 LYS HG2 H 1.190 0.030 2 117 17 17 LYS HG3 H 1.114 0.030 2 118 17 17 LYS C C 175.186 0.300 1 119 17 17 LYS CA C 55.088 0.300 1 120 17 17 LYS CB C 35.145 0.300 1 121 17 17 LYS CD C 29.518 0.300 1 122 17 17 LYS CE C 41.834 0.300 1 123 17 17 LYS CG C 24.582 0.300 1 124 17 17 LYS N N 122.823 0.300 1 125 18 18 PHE H H 8.918 0.030 1 126 18 18 PHE HA H 4.754 0.030 1 127 18 18 PHE HB2 H 3.031 0.030 2 128 18 18 PHE HB3 H 2.630 0.030 2 129 18 18 PHE HD1 H 7.090 0.030 1 130 18 18 PHE HD2 H 7.090 0.030 1 131 18 18 PHE HE1 H 6.910 0.030 1 132 18 18 PHE HE2 H 6.910 0.030 1 133 18 18 PHE HZ H 6.950 0.030 1 134 18 18 PHE C C 174.304 0.300 1 135 18 18 PHE CA C 56.634 0.300 1 136 18 18 PHE CB C 42.611 0.300 1 137 18 18 PHE CD1 C 132.507 0.300 1 138 18 18 PHE CD2 C 132.507 0.300 1 139 18 18 PHE CE1 C 130.060 0.300 1 140 18 18 PHE CE2 C 130.060 0.300 1 141 18 18 PHE CZ C 129.800 0.300 1 142 18 18 PHE N N 122.421 0.300 1 143 19 19 ARG H H 8.906 0.030 1 144 19 19 ARG HA H 5.302 0.030 1 145 19 19 ARG HB2 H 2.030 0.030 2 146 19 19 ARG HB3 H 1.821 0.030 2 147 19 19 ARG HD2 H 3.268 0.030 1 148 19 19 ARG HD3 H 3.268 0.030 1 149 19 19 ARG HG2 H 1.658 0.030 1 150 19 19 ARG HG3 H 1.658 0.030 1 151 19 19 ARG C C 176.340 0.300 1 152 19 19 ARG CA C 56.296 0.300 1 153 19 19 ARG CB C 30.073 0.300 1 154 19 19 ARG CD C 43.308 0.300 1 155 19 19 ARG CG C 27.441 0.300 1 156 19 19 ARG N N 126.900 0.300 1 157 20 20 VAL H H 8.883 0.030 1 158 20 20 VAL HA H 5.342 0.030 1 159 20 20 VAL HB H 2.808 0.030 1 160 20 20 VAL HG1 H 0.991 0.030 1 161 20 20 VAL HG2 H 0.814 0.030 1 162 20 20 VAL C C 174.575 0.300 1 163 20 20 VAL CA C 59.431 0.300 1 164 20 20 VAL CB C 36.151 0.300 1 165 20 20 VAL CG1 C 23.790 0.300 2 166 20 20 VAL CG2 C 20.200 0.300 2 167 20 20 VAL N N 120.600 0.300 1 168 21 21 GLN H H 9.236 0.030 1 169 21 21 GLN HA H 5.783 0.030 1 170 21 21 GLN HB2 H 2.527 0.030 2 171 21 21 GLN HB3 H 2.273 0.030 2 172 21 21 GLN HE21 H 8.029 0.030 2 173 21 21 GLN HE22 H 6.639 0.030 2 174 21 21 GLN HG2 H 2.540 0.030 1 175 21 21 GLN HG3 H 2.540 0.030 1 176 21 21 GLN C C 175.912 0.300 1 177 21 21 GLN CA C 54.943 0.300 1 178 21 21 GLN CB C 34.210 0.300 1 179 21 21 GLN CG C 36.568 0.300 1 180 21 21 GLN N N 116.864 0.300 1 181 21 21 GLN NE2 N 112.736 0.300 1 182 22 22 TYR H H 8.840 0.030 1 183 22 22 TYR HA H 5.131 0.030 1 184 22 22 TYR HB2 H 2.942 0.030 1 185 22 22 TYR HB3 H 2.942 0.030 1 186 22 22 TYR HD1 H 6.694 0.030 1 187 22 22 TYR HD2 H 6.694 0.030 1 188 22 22 TYR HE1 H 6.558 0.030 1 189 22 22 TYR HE2 H 6.558 0.030 1 190 22 22 TYR C C 173.639 0.300 1 191 22 22 TYR CA C 54.501 0.300 1 192 22 22 TYR CB C 41.610 0.300 1 193 22 22 TYR CD1 C 132.501 0.300 1 194 22 22 TYR CD2 C 132.501 0.300 1 195 22 22 TYR CE1 C 118.000 0.300 1 196 22 22 TYR CE2 C 118.000 0.300 1 197 22 22 TYR N N 123.620 0.300 1 198 23 23 LEU H H 8.380 0.030 1 199 23 23 LEU HA H 3.354 0.030 1 200 23 23 LEU HB2 H 0.948 0.030 2 201 23 23 LEU HB3 H 0.522 0.030 2 202 23 23 LEU HD1 H -0.030 0.030 1 203 23 23 LEU HD2 H -0.030 0.030 1 204 23 23 LEU HG H -0.820 0.030 1 205 23 23 LEU C C 175.676 0.300 1 206 23 23 LEU CA C 58.869 0.300 1 207 23 23 LEU CB C 41.764 0.300 1 208 23 23 LEU CD1 C 25.653 0.300 2 209 23 23 LEU CD2 C 26.458 0.300 2 210 23 23 LEU CG C 30.490 0.300 1 211 23 23 LEU N N 129.910 0.300 1 212 24 24 GLY H H 5.506 0.030 1 213 24 24 GLY HA2 H 4.041 0.030 2 214 24 24 GLY HA3 H 2.337 0.030 2 215 24 24 GLY C C 169.024 0.300 1 216 24 24 GLY CA C 43.409 0.300 1 217 24 24 GLY N N 103.374 0.300 1 218 25 25 MET H H 7.554 0.030 1 219 25 25 MET HA H 5.169 0.030 1 220 25 25 MET HB2 H 1.480 0.030 2 221 25 25 MET HB3 H 1.402 0.030 2 222 25 25 MET HE H 1.881 0.030 1 223 25 25 MET HG2 H 1.588 0.030 2 224 25 25 MET HG3 H 1.948 0.030 2 225 25 25 MET C C 175.553 0.300 1 226 25 25 MET CA C 52.298 0.300 1 227 25 25 MET CB C 34.070 0.300 1 228 25 25 MET CE C 17.465 0.300 1 229 25 25 MET CG C 32.145 0.300 1 230 25 25 MET N N 117.000 0.300 1 231 26 26 LEU H H 8.744 0.030 1 232 26 26 LEU HA H 4.831 0.030 1 233 26 26 LEU HB2 H 1.129 0.030 2 234 26 26 LEU HB3 H 1.461 0.030 2 235 26 26 LEU HD1 H 0.907 0.030 1 236 26 26 LEU HD2 H 0.882 0.030 1 237 26 26 LEU HG H 1.545 0.030 1 238 26 26 LEU C C 174.618 0.300 1 239 26 26 LEU CA C 52.102 0.300 1 240 26 26 LEU CB C 46.707 0.300 1 241 26 26 LEU CD1 C 25.739 0.300 2 242 26 26 LEU CD2 C 25.123 0.300 2 243 26 26 LEU CG C 26.296 0.300 1 244 26 26 LEU N N 126.657 0.300 1 245 27 27 PRO HA H 4.987 0.030 1 246 27 27 PRO HB2 H 2.293 0.030 2 247 27 27 PRO HB3 H 1.917 0.030 2 248 27 27 PRO HD2 H 3.778 0.030 2 249 27 27 PRO HD3 H 3.628 0.030 2 250 27 27 PRO HG2 H 2.131 0.030 2 251 27 27 PRO HG3 H 1.861 0.030 2 252 27 27 PRO C C 176.769 0.300 1 253 27 27 PRO CA C 62.354 0.300 1 254 27 27 PRO CB C 31.861 0.300 1 255 27 27 PRO CD C 51.217 0.300 1 256 27 27 PRO CG C 27.722 0.300 1 257 28 28 VAL H H 8.175 0.030 1 258 28 28 VAL HA H 4.800 0.030 1 259 28 28 VAL HB H 2.174 0.030 1 260 28 28 VAL HG1 H 0.797 0.030 1 261 28 28 VAL HG2 H 0.731 0.030 1 262 28 28 VAL C C 176.113 0.300 1 263 28 28 VAL CA C 58.960 0.300 1 264 28 28 VAL CB C 36.022 0.300 1 265 28 28 VAL CG1 C 22.948 0.300 2 266 28 28 VAL CG2 C 19.297 0.300 2 267 28 28 VAL N N 113.980 0.300 1 268 29 29 ASP H H 8.518 0.030 1 269 29 29 ASP HA H 4.739 0.030 1 270 29 29 ASP HB2 H 2.748 0.030 1 271 29 29 ASP HB3 H 2.748 0.030 1 272 29 29 ASP C C 175.904 0.300 1 273 29 29 ASP CA C 54.897 0.300 1 274 29 29 ASP CB C 41.707 0.300 1 275 29 29 ASP N N 117.630 0.300 1 276 30 30 ARG H H 7.200 0.030 1 277 30 30 ARG HA H 4.516 0.030 1 278 30 30 ARG HB2 H 1.739 0.030 2 279 30 30 ARG HB3 H 1.670 0.030 2 280 30 30 ARG HD2 H 3.137 0.030 1 281 30 30 ARG HD3 H 3.137 0.030 1 282 30 30 ARG HG2 H 1.570 0.030 1 283 30 30 ARG HG3 H 1.570 0.030 1 284 30 30 ARG C C 173.255 0.300 1 285 30 30 ARG CA C 52.442 0.300 1 286 30 30 ARG CB C 32.822 0.300 1 287 30 30 ARG CD C 43.380 0.300 1 288 30 30 ARG CG C 26.568 0.300 1 289 30 30 ARG N N 117.081 0.300 1 290 31 31 PRO HA H 3.695 0.030 1 291 31 31 PRO HB2 H 1.652 0.030 2 292 31 31 PRO HB3 H 1.146 0.030 2 293 31 31 PRO HD2 H 3.441 0.030 2 294 31 31 PRO HD3 H 2.843 0.030 2 295 31 31 PRO HG2 H 1.689 0.030 1 296 31 31 PRO HG3 H 1.689 0.030 1 297 31 31 PRO C C 175.632 0.300 1 298 31 31 PRO CA C 62.462 0.300 1 299 31 31 PRO CB C 31.688 0.300 1 300 31 31 PRO CD C 49.417 0.300 1 301 31 31 PRO CG C 26.107 0.300 1 302 32 32 VAL H H 6.372 0.030 1 303 32 32 VAL HA H 3.890 0.030 1 304 32 32 VAL HB H 1.750 0.030 1 305 32 32 VAL HG1 H 0.850 0.030 1 306 32 32 VAL HG2 H 0.559 0.030 1 307 32 32 VAL C C 174.627 0.300 1 308 32 32 VAL CA C 58.310 0.300 1 309 32 32 VAL CB C 36.830 0.300 1 310 32 32 VAL CG1 C 21.774 0.300 2 311 32 32 VAL CG2 C 18.164 0.300 2 312 32 32 VAL N N 106.754 0.300 1 313 33 33 GLY H H 3.714 0.030 1 314 33 33 GLY HA2 H 4.232 0.030 2 315 33 33 GLY HA3 H 3.172 0.030 2 316 33 33 GLY C C 173.508 0.300 1 317 33 33 GLY CA C 44.703 0.300 1 318 33 33 GLY N N 105.484 0.300 1 319 34 34 MET H H 8.996 0.030 1 320 34 34 MET HA H 4.500 0.030 1 321 34 34 MET HB2 H 2.170 0.030 2 322 34 34 MET HB3 H 2.113 0.030 2 323 34 34 MET HE H 2.131 0.030 1 324 34 34 MET HG2 H 2.961 0.030 2 325 34 34 MET HG3 H 2.838 0.030 2 326 34 34 MET C C 178.272 0.300 1 327 34 34 MET CA C 56.377 0.300 1 328 34 34 MET CB C 30.500 0.300 1 329 34 34 MET CE C 16.185 0.300 1 330 34 34 MET CG C 32.439 0.300 1 331 34 34 MET N N 125.941 0.300 1 332 35 35 ASP H H 8.921 0.030 1 333 35 35 ASP HA H 4.391 0.030 1 334 35 35 ASP HB2 H 2.713 0.030 2 335 35 35 ASP HB3 H 2.620 0.030 2 336 35 35 ASP C C 178.919 0.300 1 337 35 35 ASP CA C 56.843 0.300 1 338 35 35 ASP CB C 38.638 0.300 1 339 35 35 ASP N N 119.371 0.300 1 340 36 36 THR H H 7.504 0.030 1 341 36 36 THR HA H 3.723 0.030 1 342 36 36 THR HB H 3.823 0.030 1 343 36 36 THR HG2 H 1.090 0.030 1 344 36 36 THR C C 176.437 0.300 1 345 36 36 THR CA C 66.004 0.300 1 346 36 36 THR CB C 68.438 0.300 1 347 36 36 THR CG2 C 21.994 0.300 1 348 36 36 THR N N 119.854 0.300 1 349 37 37 LEU H H 7.830 0.030 1 350 37 37 LEU HA H 3.768 0.030 1 351 37 37 LEU HB2 H 1.790 0.030 2 352 37 37 LEU HB3 H 1.648 0.030 2 353 37 37 LEU HD1 H 0.742 0.030 1 354 37 37 LEU HD2 H 0.651 0.030 1 355 37 37 LEU HG H 1.480 0.030 1 356 37 37 LEU C C 178.159 0.300 1 357 37 37 LEU CA C 58.621 0.300 1 358 37 37 LEU CB C 43.645 0.300 1 359 37 37 LEU CD1 C 26.298 0.300 2 360 37 37 LEU CD2 C 25.115 0.300 2 361 37 37 LEU CG C 26.300 0.300 1 362 37 37 LEU N N 121.577 0.300 1 363 38 38 ASN H H 8.969 0.030 1 364 38 38 ASN HA H 4.462 0.030 1 365 38 38 ASN HB2 H 2.900 0.030 2 366 38 38 ASN HB3 H 2.660 0.030 2 367 38 38 ASN HD21 H 7.472 0.030 2 368 38 38 ASN HD22 H 7.071 0.030 2 369 38 38 ASN C C 178.019 0.300 1 370 38 38 ASN CA C 56.580 0.300 1 371 38 38 ASN CB C 38.219 0.300 1 372 38 38 ASN N N 115.168 0.300 1 373 38 38 ASN ND2 N 112.322 0.300 1 374 39 39 SER H H 7.952 0.030 1 375 39 39 SER HA H 4.217 0.030 1 376 39 39 SER HB2 H 3.976 0.030 2 377 39 39 SER HB3 H 3.913 0.030 2 378 39 39 SER C C 176.332 0.300 1 379 39 39 SER CA C 61.878 0.300 1 380 39 39 SER CB C 62.577 0.300 1 381 39 39 SER N N 114.889 0.300 1 382 40 40 ALA H H 7.388 0.030 1 383 40 40 ALA HA H 4.065 0.030 1 384 40 40 ALA HB H 1.321 0.030 1 385 40 40 ALA C C 178.805 0.300 1 386 40 40 ALA CA C 55.181 0.300 1 387 40 40 ALA CB C 19.033 0.300 1 388 40 40 ALA N N 124.779 0.300 1 389 41 41 ILE H H 8.159 0.030 1 390 41 41 ILE HA H 3.368 0.030 1 391 41 41 ILE HB H 1.959 0.030 1 392 41 41 ILE HD1 H 0.700 0.030 1 393 41 41 ILE HG12 H 0.785 0.030 2 394 41 41 ILE HG13 H 1.800 0.030 2 395 41 41 ILE HG2 H 0.960 0.030 1 396 41 41 ILE C C 177.765 0.300 1 397 41 41 ILE CA C 66.285 0.300 1 398 41 41 ILE CB C 38.897 0.300 1 399 41 41 ILE CD1 C 13.248 0.300 1 400 41 41 ILE CG1 C 29.337 0.300 1 401 41 41 ILE CG2 C 17.893 0.300 1 402 41 41 ILE N N 116.614 0.300 1 403 42 42 GLU H H 8.312 0.030 1 404 42 42 GLU HA H 3.930 0.030 1 405 42 42 GLU HB2 H 2.059 0.030 1 406 42 42 GLU HB3 H 2.059 0.030 1 407 42 42 GLU HG2 H 2.471 0.030 2 408 42 42 GLU HG3 H 2.326 0.030 2 409 42 42 GLU C C 179.373 0.300 1 410 42 42 GLU CA C 59.587 0.300 1 411 42 42 GLU CB C 29.305 0.300 1 412 42 42 GLU CG C 36.709 0.300 1 413 42 42 GLU N N 116.622 0.300 1 414 43 43 ASN H H 7.996 0.030 1 415 43 43 ASN HA H 4.339 0.030 1 416 43 43 ASN HB2 H 2.867 0.030 2 417 43 43 ASN HB3 H 2.799 0.030 2 418 43 43 ASN HD21 H 7.253 0.030 2 419 43 43 ASN HD22 H 6.766 0.030 2 420 43 43 ASN C C 178.623 0.300 1 421 43 43 ASN CA C 56.503 0.300 1 422 43 43 ASN CB C 38.994 0.300 1 423 43 43 ASN N N 118.589 0.300 1 424 43 43 ASN ND2 N 111.534 0.300 1 425 44 44 LEU H H 7.957 0.030 1 426 44 44 LEU HA H 4.109 0.030 1 427 44 44 LEU HB2 H 1.560 0.030 2 428 44 44 LEU HB3 H 1.007 0.030 2 429 44 44 LEU HD1 H 0.271 0.030 1 430 44 44 LEU HD2 H 0.621 0.030 1 431 44 44 LEU HG H 1.552 0.030 1 432 44 44 LEU C C 179.758 0.300 1 433 44 44 LEU CA C 57.867 0.300 1 434 44 44 LEU CB C 41.965 0.300 1 435 44 44 LEU CD1 C 25.265 0.300 2 436 44 44 LEU CD2 C 22.446 0.300 2 437 44 44 LEU CG C 26.950 0.300 1 438 44 44 LEU N N 119.476 0.300 1 439 45 45 MET H H 8.608 0.030 1 440 45 45 MET HA H 4.251 0.030 1 441 45 45 MET HB2 H 2.214 0.030 2 442 45 45 MET HB3 H 2.294 0.030 2 443 45 45 MET HE H 2.326 0.030 1 444 45 45 MET HG2 H 2.505 0.030 2 445 45 45 MET HG3 H 2.755 0.030 2 446 45 45 MET C C 177.197 0.300 1 447 45 45 MET CA C 58.790 0.300 1 448 45 45 MET CB C 33.664 0.300 1 449 45 45 MET CE C 17.050 0.300 1 450 45 45 MET CG C 32.899 0.300 1 451 45 45 MET N N 118.508 0.300 1 452 46 46 THR H H 7.783 0.030 1 453 46 46 THR HA H 4.436 0.030 1 454 46 46 THR HB H 4.447 0.030 1 455 46 46 THR HG2 H 1.366 0.030 1 456 46 46 THR C C 175.763 0.300 1 457 46 46 THR CA C 63.585 0.300 1 458 46 46 THR CB C 69.871 0.300 1 459 46 46 THR CG2 C 21.588 0.300 1 460 46 46 THR N N 108.471 0.300 1 461 47 47 SER H H 7.748 0.030 1 462 47 47 SER HA H 4.577 0.030 1 463 47 47 SER HB2 H 4.070 0.030 2 464 47 47 SER HB3 H 3.977 0.030 2 465 47 47 SER C C 173.411 0.300 1 466 47 47 SER CA C 59.101 0.300 1 467 47 47 SER CB C 64.316 0.300 1 468 47 47 SER N N 115.307 0.300 1 469 48 48 SER H H 7.743 0.030 1 470 48 48 SER HA H 4.724 0.030 1 471 48 48 SER HB2 H 4.130 0.030 1 472 48 48 SER HB3 H 4.130 0.030 1 473 48 48 SER C C 172.188 0.300 1 474 48 48 SER CA C 57.674 0.300 1 475 48 48 SER CB C 65.640 0.300 1 476 48 48 SER N N 114.485 0.300 1 477 49 49 SER H H 8.576 0.030 1 478 49 49 SER HA H 4.410 0.030 1 479 49 49 SER HB2 H 3.655 0.030 2 480 49 49 SER HB3 H 3.617 0.030 2 481 49 49 SER C C 173.464 0.300 1 482 49 49 SER CA C 56.859 0.300 1 483 49 49 SER CB C 65.029 0.300 1 484 49 49 SER N N 115.045 0.300 1 485 50 50 LYS H H 7.629 0.030 1 486 50 50 LYS HA H 1.378 0.030 1 487 50 50 LYS HB2 H 0.911 0.030 2 488 50 50 LYS HB3 H 0.760 0.030 2 489 50 50 LYS HD2 H 1.076 0.030 2 490 50 50 LYS HD3 H 1.011 0.030 2 491 50 50 LYS HE2 H 2.387 0.030 2 492 50 50 LYS HE3 H 2.550 0.030 2 493 50 50 LYS HG2 H 0.619 0.030 2 494 50 50 LYS HG3 H 0.742 0.030 2 495 50 50 LYS C C 177.259 0.300 1 496 50 50 LYS CA C 57.103 0.300 1 497 50 50 LYS CB C 32.114 0.300 1 498 50 50 LYS CD C 29.196 0.300 1 499 50 50 LYS CE C 41.664 0.300 1 500 50 50 LYS CG C 23.765 0.300 1 501 50 50 LYS N N 123.326 0.300 1 502 51 51 GLU H H 7.942 0.030 1 503 51 51 GLU HA H 3.793 0.030 1 504 51 51 GLU HB2 H 1.836 0.030 2 505 51 51 GLU HB3 H 1.683 0.030 2 506 51 51 GLU HG2 H 2.080 0.030 2 507 51 51 GLU HG3 H 2.125 0.030 2 508 51 51 GLU C C 176.944 0.300 1 509 51 51 GLU CA C 58.104 0.300 1 510 51 51 GLU CB C 28.744 0.300 1 511 51 51 GLU CG C 36.428 0.300 1 512 51 51 GLU N N 115.521 0.300 1 513 52 52 ASP H H 7.765 0.030 1 514 52 52 ASP HA H 4.587 0.030 1 515 52 52 ASP HB2 H 2.859 0.030 2 516 52 52 ASP HB3 H 2.720 0.030 2 517 52 52 ASP C C 176.752 0.300 1 518 52 52 ASP CA C 54.531 0.300 1 519 52 52 ASP CB C 41.803 0.300 1 520 52 52 ASP N N 117.396 0.300 1 521 53 53 TRP H H 7.031 0.030 1 522 53 53 TRP HA H 5.271 0.030 1 523 53 53 TRP HB2 H 3.403 0.030 2 524 53 53 TRP HB3 H 2.810 0.030 2 525 53 53 TRP HD1 H 6.937 0.030 1 526 53 53 TRP HE1 H 9.887 0.030 1 527 53 53 TRP HE3 H 6.939 0.030 1 528 53 53 TRP HH2 H 6.546 0.030 1 529 53 53 TRP HZ2 H 7.276 0.030 1 530 53 53 TRP HZ3 H 5.850 0.030 1 531 53 53 TRP C C 174.636 0.300 1 532 53 53 TRP CA C 53.179 0.300 1 533 53 53 TRP CB C 28.485 0.300 1 534 53 53 TRP CD1 C 124.721 0.300 1 535 53 53 TRP CE3 C 120.240 0.300 1 536 53 53 TRP CH2 C 123.849 0.300 1 537 53 53 TRP CZ2 C 114.324 0.300 1 538 53 53 TRP CZ3 C 121.512 0.300 1 539 53 53 TRP N N 123.726 0.300 1 540 53 53 TRP NE1 N 129.616 0.300 1 541 54 54 PRO HA H 4.639 0.030 1 542 54 54 PRO HB2 H 2.481 0.030 2 543 54 54 PRO HB3 H 2.024 0.030 2 544 54 54 PRO HD2 H 4.230 0.030 2 545 54 54 PRO HD3 H 4.740 0.030 2 546 54 54 PRO HG2 H 2.320 0.030 2 547 54 54 PRO HG3 H 2.271 0.030 2 548 54 54 PRO C C 176.786 0.300 1 549 54 54 PRO CA C 63.111 0.300 1 550 54 54 PRO CB C 32.570 0.300 1 551 54 54 PRO CD C 51.395 0.300 1 552 54 54 PRO CG C 27.581 0.300 1 553 55 55 SER H H 8.717 0.030 1 554 55 55 SER HA H 5.061 0.030 1 555 55 55 SER HB2 H 3.900 0.030 1 556 55 55 SER HB3 H 3.900 0.030 1 557 55 55 SER C C 174.514 0.300 1 558 55 55 SER CA C 59.138 0.300 1 559 55 55 SER CB C 63.480 0.300 1 560 55 55 SER N N 117.395 0.300 1 561 56 56 VAL H H 9.454 0.030 1 562 56 56 VAL HA H 5.031 0.030 1 563 56 56 VAL HB H 2.169 0.030 1 564 56 56 VAL HG1 H 0.885 0.030 1 565 56 56 VAL HG2 H 0.760 0.030 1 566 56 56 VAL C C 173.587 0.300 1 567 56 56 VAL CA C 58.883 0.300 1 568 56 56 VAL CB C 35.958 0.300 1 569 56 56 VAL CG1 C 22.316 0.300 2 570 56 56 VAL CG2 C 20.490 0.300 2 571 56 56 VAL N N 118.649 0.300 1 572 57 57 ASN H H 9.100 0.030 1 573 57 57 ASN HA H 5.625 0.030 1 574 57 57 ASN HB2 H 2.539 0.030 2 575 57 57 ASN HB3 H 2.433 0.030 2 576 57 57 ASN HD21 H 7.327 0.030 2 577 57 57 ASN HD22 H 7.000 0.030 2 578 57 57 ASN C C 174.243 0.300 1 579 57 57 ASN CA C 52.102 0.300 1 580 57 57 ASN CB C 41.157 0.300 1 581 57 57 ASN N N 117.631 0.300 1 582 57 57 ASN ND2 N 112.721 0.300 1 583 58 58 MET H H 9.581 0.030 1 584 58 58 MET HA H 4.952 0.030 1 585 58 58 MET HB2 H 2.036 0.030 2 586 58 58 MET HB3 H 1.587 0.030 2 587 58 58 MET HE H 0.977 0.030 1 588 58 58 MET HG2 H 1.914 0.030 1 589 58 58 MET HG3 H 1.914 0.030 1 590 58 58 MET C C 173.656 0.300 1 591 58 58 MET CA C 54.426 0.300 1 592 58 58 MET CB C 36.022 0.300 1 593 58 58 MET CE C 15.286 0.300 1 594 58 58 MET CG C 31.654 0.300 1 595 58 58 MET N N 124.871 0.300 1 596 59 59 ASN H H 9.448 0.030 1 597 59 59 ASN HA H 5.430 0.030 1 598 59 59 ASN HB2 H 2.779 0.030 2 599 59 59 ASN HB3 H 2.441 0.030 2 600 59 59 ASN HD21 H 6.861 0.030 2 601 59 59 ASN HD22 H 6.592 0.030 2 602 59 59 ASN C C 174.627 0.300 1 603 59 59 ASN CA C 51.849 0.300 1 604 59 59 ASN CB C 40.641 0.300 1 605 59 59 ASN N N 127.078 0.300 1 606 59 59 ASN ND2 N 109.239 0.300 1 607 60 60 VAL H H 9.220 0.030 1 608 60 60 VAL HA H 4.542 0.030 1 609 60 60 VAL HB H 2.150 0.030 1 610 60 60 VAL HG1 H 0.760 0.030 1 611 60 60 VAL HG2 H 0.806 0.030 1 612 60 60 VAL C C 174.417 0.300 1 613 60 60 VAL CA C 62.080 0.300 1 614 60 60 VAL CB C 32.651 0.300 1 615 60 60 VAL CG1 C 21.743 0.300 2 616 60 60 VAL CG2 C 20.800 0.300 2 617 60 60 VAL N N 125.292 0.300 1 618 61 61 ALA H H 8.442 0.030 1 619 61 61 ALA HA H 4.724 0.030 1 620 61 61 ALA HB H 1.452 0.030 1 621 61 61 ALA C C 175.930 0.300 1 622 61 61 ALA CA C 51.280 0.300 1 623 61 61 ALA CB C 22.052 0.300 1 624 61 61 ALA N N 129.689 0.300 1 625 62 62 ASP H H 8.951 0.030 1 626 62 62 ASP HA H 4.309 0.030 1 627 62 62 ASP HB2 H 2.804 0.030 2 628 62 62 ASP HB3 H 2.580 0.030 2 629 62 62 ASP C C 176.795 0.300 1 630 62 62 ASP CA C 56.142 0.300 1 631 62 62 ASP CB C 39.851 0.300 1 632 62 62 ASP N N 119.379 0.300 1 633 63 63 ALA H H 8.832 0.030 1 634 63 63 ALA HA H 4.140 0.030 1 635 63 63 ALA HB H 1.501 0.030 1 636 63 63 ALA C C 177.503 0.300 1 637 63 63 ALA CA C 52.747 0.300 1 638 63 63 ALA CB C 19.030 0.300 1 639 63 63 ALA N N 117.609 0.300 1 640 64 64 THR H H 7.680 0.030 1 641 64 64 THR HA H 4.923 0.030 1 642 64 64 THR HB H 4.017 0.030 1 643 64 64 THR HG2 H 1.041 0.030 1 644 64 64 THR C C 172.022 0.300 1 645 64 64 THR CA C 62.002 0.300 1 646 64 64 THR CB C 72.584 0.300 1 647 64 64 THR CG2 C 21.743 0.300 1 648 64 64 THR N N 114.139 0.300 1 649 65 65 VAL H H 8.659 0.030 1 650 65 65 VAL HA H 4.707 0.030 1 651 65 65 VAL HB H 1.690 0.030 1 652 65 65 VAL HG1 H 0.657 0.030 1 653 65 65 VAL HG2 H 0.640 0.030 1 654 65 65 VAL C C 174.522 0.300 1 655 65 65 VAL CA C 61.381 0.300 1 656 65 65 VAL CB C 33.761 0.300 1 657 65 65 VAL CG1 C 21.262 0.300 2 658 65 65 VAL CG2 C 20.782 0.300 2 659 65 65 VAL N N 125.693 0.300 1 660 66 66 THR H H 8.945 0.030 1 661 66 66 THR HA H 5.077 0.030 1 662 66 66 THR HB H 3.939 0.030 1 663 66 66 THR HG2 H 1.281 0.030 1 664 66 66 THR C C 173.298 0.300 1 665 66 66 THR CA C 61.198 0.300 1 666 66 66 THR CB C 70.743 0.300 1 667 66 66 THR CG2 C 22.867 0.300 1 668 66 66 THR N N 122.204 0.300 1 669 67 67 VAL H H 9.136 0.030 1 670 67 67 VAL HA H 4.872 0.030 1 671 67 67 VAL HB H 1.937 0.030 1 672 67 67 VAL HG1 H 0.681 0.030 1 673 67 67 VAL HG2 H 0.790 0.030 1 674 67 67 VAL C C 174.382 0.300 1 675 67 67 VAL CA C 61.270 0.300 1 676 67 67 VAL CB C 32.790 0.300 1 677 67 67 VAL CG1 C 21.924 0.300 2 678 67 67 VAL CG2 C 21.152 0.300 2 679 67 67 VAL N N 126.617 0.300 1 680 68 68 ILE H H 9.108 0.030 1 681 68 68 ILE HA H 4.892 0.030 1 682 68 68 ILE HB H 1.759 0.030 1 683 68 68 ILE HD1 H 0.845 0.030 1 684 68 68 ILE HG12 H 1.477 0.030 2 685 68 68 ILE HG13 H 1.049 0.030 2 686 68 68 ILE HG2 H 1.033 0.030 1 687 68 68 ILE C C 175.423 0.300 1 688 68 68 ILE CA C 59.873 0.300 1 689 68 68 ILE CB C 41.610 0.300 1 690 68 68 ILE CD1 C 13.540 0.300 1 691 68 68 ILE CG1 C 28.354 0.300 1 692 68 68 ILE CG2 C 18.373 0.300 1 693 68 68 ILE N N 128.061 0.300 1 694 69 69 SER H H 8.463 0.030 1 695 69 69 SER HA H 4.399 0.030 1 696 69 69 SER HB2 H 4.171 0.030 2 697 69 69 SER HB3 H 4.342 0.030 2 698 69 69 SER C C 174.976 0.300 1 699 69 69 SER CA C 58.954 0.300 1 700 69 69 SER CB C 63.960 0.300 1 701 69 69 SER N N 120.208 0.300 1 702 70 70 GLU H H 8.358 0.030 1 703 70 70 GLU HA H 4.211 0.030 1 704 70 70 GLU HB2 H 1.876 0.030 2 705 70 70 GLU HB3 H 1.981 0.030 2 706 70 70 GLU HG2 H 2.218 0.030 1 707 70 70 GLU HG3 H 2.218 0.030 1 708 70 70 GLU C C 177.127 0.300 1 709 70 70 GLU CA C 58.309 0.300 1 710 70 70 GLU CB C 30.047 0.300 1 711 70 70 GLU CG C 36.638 0.300 1 712 70 70 GLU N N 124.487 0.300 1 713 71 71 LYS H H 8.109 0.030 1 714 71 71 LYS HA H 4.285 0.030 1 715 71 71 LYS HB2 H 1.895 0.030 2 716 71 71 LYS HB3 H 1.806 0.030 2 717 71 71 LYS HD2 H 1.740 0.030 1 718 71 71 LYS HD3 H 1.740 0.030 1 719 71 71 LYS HE2 H 3.063 0.030 1 720 71 71 LYS HE3 H 3.063 0.030 1 721 71 71 LYS HG2 H 1.470 0.030 2 722 71 71 LYS HG3 H 1.532 0.030 2 723 71 71 LYS C C 176.385 0.300 1 724 71 71 LYS CA C 57.011 0.300 1 725 71 71 LYS CB C 33.374 0.300 1 726 71 71 LYS CD C 29.196 0.300 1 727 71 71 LYS CE C 42.185 0.300 1 728 71 71 LYS CG C 25.013 0.300 1 729 71 71 LYS N N 117.246 0.300 1 730 72 72 ASN H H 7.483 0.030 1 731 72 72 ASN HA H 4.754 0.030 1 732 72 72 ASN HB2 H 2.908 0.030 2 733 72 72 ASN HB3 H 2.782 0.030 2 734 72 72 ASN HD21 H 7.718 0.030 2 735 72 72 ASN HD22 H 7.013 0.030 2 736 72 72 ASN C C 174.627 0.300 1 737 72 72 ASN CA C 52.948 0.300 1 738 72 72 ASN CB C 38.897 0.300 1 739 72 72 ASN N N 116.273 0.300 1 740 72 72 ASN ND2 N 112.439 0.300 1 741 73 73 GLU H H 8.665 0.030 1 742 73 73 GLU HA H 4.178 0.030 1 743 73 73 GLU HB2 H 2.089 0.030 2 744 73 73 GLU HB3 H 2.018 0.030 2 745 73 73 GLU HG2 H 2.288 0.030 1 746 73 73 GLU HG3 H 2.288 0.030 1 747 73 73 GLU C C 175.650 0.300 1 748 73 73 GLU CA C 57.914 0.300 1 749 73 73 GLU CB C 29.369 0.300 1 750 73 73 GLU CG C 36.498 0.300 1 751 73 73 GLU N N 121.400 0.300 1 752 74 74 GLU H H 8.049 0.030 1 753 74 74 GLU HA H 4.210 0.030 1 754 74 74 GLU HB2 H 2.145 0.030 2 755 74 74 GLU HB3 H 1.962 0.030 2 756 74 74 GLU HG2 H 2.284 0.030 2 757 74 74 GLU HG3 H 2.195 0.030 2 758 74 74 GLU C C 176.226 0.300 1 759 74 74 GLU CA C 56.462 0.300 1 760 74 74 GLU CB C 29.592 0.300 1 761 74 74 GLU CG C 36.819 0.300 1 762 74 74 GLU N N 115.631 0.300 1 763 75 75 GLU H H 7.978 0.030 1 764 75 75 GLU HA H 4.331 0.030 1 765 75 75 GLU HB2 H 2.260 0.030 2 766 75 75 GLU HB3 H 1.913 0.030 2 767 75 75 GLU HG2 H 2.160 0.030 2 768 75 75 GLU HG3 H 2.090 0.030 2 769 75 75 GLU C C 173.928 0.300 1 770 75 75 GLU CA C 56.035 0.300 1 771 75 75 GLU CB C 30.337 0.300 1 772 75 75 GLU CG C 36.287 0.300 1 773 75 75 GLU N N 122.568 0.300 1 774 76 76 VAL H H 8.293 0.030 1 775 76 76 VAL HA H 4.071 0.030 1 776 76 76 VAL HB H 2.018 0.030 1 777 76 76 VAL HG1 H 0.911 0.030 1 778 76 76 VAL HG2 H 0.795 0.030 1 779 76 76 VAL C C 176.576 0.300 1 780 76 76 VAL CA C 62.816 0.300 1 781 76 76 VAL CB C 31.888 0.300 1 782 76 76 VAL CG1 C 21.027 0.300 2 783 76 76 VAL CG2 C 21.626 0.300 2 784 76 76 VAL N N 127.066 0.300 1 785 77 77 LEU H H 9.065 0.030 1 786 77 77 LEU HA H 4.373 0.030 1 787 77 77 LEU HB2 H 1.513 0.030 2 788 77 77 LEU HB3 H 1.345 0.030 2 789 77 77 LEU HD1 H 0.910 0.030 1 790 77 77 LEU HD2 H 0.894 0.030 1 791 77 77 LEU HG H 1.700 0.030 1 792 77 77 LEU C C 177.529 0.300 1 793 77 77 LEU CA C 56.725 0.300 1 794 77 77 LEU CB C 42.805 0.300 1 795 77 77 LEU CD1 C 25.826 0.300 2 796 77 77 LEU CD2 C 23.088 0.300 2 797 77 77 LEU CG C 27.862 0.300 1 798 77 77 LEU N N 129.849 0.300 1 799 78 78 VAL H H 7.369 0.030 1 800 78 78 VAL HA H 4.222 0.030 1 801 78 78 VAL HB H 1.775 0.030 1 802 78 78 VAL HG1 H 0.559 0.030 1 803 78 78 VAL HG2 H 0.600 0.030 1 804 78 78 VAL C C 172.695 0.300 1 805 78 78 VAL CA C 61.270 0.300 1 806 78 78 VAL CB C 35.731 0.300 1 807 78 78 VAL CG1 C 19.930 0.300 2 808 78 78 VAL CG2 C 21.275 0.300 2 809 78 78 VAL N N 115.055 0.300 1 810 79 79 GLU H H 8.670 0.030 1 811 79 79 GLU HA H 4.898 0.030 1 812 79 79 GLU HB2 H 1.990 0.030 2 813 79 79 GLU HB3 H 1.821 0.030 2 814 79 79 GLU HG2 H 2.083 0.030 2 815 79 79 GLU HG3 H 1.884 0.030 2 816 79 79 GLU C C 173.971 0.300 1 817 79 79 GLU CA C 55.640 0.300 1 818 79 79 GLU CB C 32.143 0.300 1 819 79 79 GLU CG C 36.849 0.300 1 820 79 79 GLU N N 127.759 0.300 1 821 80 80 CYS H H 9.241 0.030 1 822 80 80 CYS HA H 4.940 0.030 1 823 80 80 CYS HB2 H 2.843 0.030 2 824 80 80 CYS HB3 H 2.524 0.030 2 825 80 80 CYS C C 174.601 0.300 1 826 80 80 CYS CA C 57.223 0.300 1 827 80 80 CYS CB C 29.689 0.300 1 828 80 80 CYS N N 126.155 0.300 1 829 81 81 ARG H H 9.033 0.030 1 830 81 81 ARG HA H 4.754 0.030 1 831 81 81 ARG HB2 H 2.129 0.030 2 832 81 81 ARG HB3 H 1.905 0.030 2 833 81 81 ARG HD2 H 3.260 0.030 1 834 81 81 ARG HD3 H 3.260 0.030 1 835 81 81 ARG HG2 H 1.900 0.030 2 836 81 81 ARG HG3 H 1.876 0.030 2 837 81 81 ARG C C 178.858 0.300 1 838 81 81 ARG CA C 56.838 0.300 1 839 81 81 ARG CB C 29.826 0.300 1 840 81 81 ARG CD C 43.379 0.300 1 841 81 81 ARG CG C 27.581 0.300 1 842 81 81 ARG N N 129.337 0.300 1 843 82 82 VAL H H 8.327 0.030 1 844 82 82 VAL HA H 3.720 0.030 1 845 82 82 VAL HB H 2.427 0.030 1 846 82 82 VAL HG1 H 0.771 0.030 1 847 82 82 VAL HG2 H 0.912 0.030 1 848 82 82 VAL C C 177.573 0.300 1 849 82 82 VAL CA C 66.121 0.300 1 850 82 82 VAL CB C 30.790 0.300 1 851 82 82 VAL CG1 C 21.263 0.300 2 852 82 82 VAL CG2 C 19.473 0.300 2 853 82 82 VAL N N 120.342 0.300 1 854 83 83 ARG H H 8.172 0.030 1 855 83 83 ARG HA H 4.161 0.030 1 856 83 83 ARG HB2 H 1.683 0.030 2 857 83 83 ARG HB3 H 1.345 0.030 2 858 83 83 ARG HD2 H 2.927 0.030 2 859 83 83 ARG HD3 H 2.872 0.030 2 860 83 83 ARG HG2 H 1.027 0.030 2 861 83 83 ARG HG3 H 0.607 0.030 2 862 83 83 ARG C C 176.481 0.300 1 863 83 83 ARG CA C 57.844 0.300 1 864 83 83 ARG CB C 29.337 0.300 1 865 83 83 ARG CD C 43.308 0.300 1 866 83 83 ARG CG C 25.787 0.300 1 867 83 83 ARG N N 119.413 0.300 1 868 84 84 PHE H H 8.006 0.030 1 869 84 84 PHE HA H 4.947 0.030 1 870 84 84 PHE HB2 H 4.032 0.030 2 871 84 84 PHE HB3 H 2.965 0.030 2 872 84 84 PHE HD1 H 7.446 0.030 1 873 84 84 PHE HD2 H 7.446 0.030 1 874 84 84 PHE HE1 H 7.375 0.030 1 875 84 84 PHE HE2 H 7.375 0.030 1 876 84 84 PHE HZ H 7.323 0.030 1 877 84 84 PHE C C 174.076 0.300 1 878 84 84 PHE CA C 57.069 0.300 1 879 84 84 PHE CB C 39.155 0.300 1 880 84 84 PHE CD1 C 131.535 0.300 1 881 84 84 PHE CD2 C 131.535 0.300 1 882 84 84 PHE CE1 C 131.435 0.300 1 883 84 84 PHE CE2 C 131.435 0.300 1 884 84 84 PHE CZ C 129.970 0.300 1 885 84 84 PHE N N 117.285 0.300 1 886 85 85 LEU H H 7.607 0.030 1 887 85 85 LEU HA H 4.837 0.030 1 888 85 85 LEU HB2 H 1.765 0.030 2 889 85 85 LEU HB3 H 1.575 0.030 2 890 85 85 LEU HD1 H 0.343 0.030 1 891 85 85 LEU HD2 H 0.617 0.030 1 892 85 85 LEU HG H 1.585 0.030 1 893 85 85 LEU C C 175.895 0.300 1 894 85 85 LEU CA C 55.991 0.300 1 895 85 85 LEU CB C 41.994 0.300 1 896 85 85 LEU CD1 C 26.037 0.300 2 897 85 85 LEU CD2 C 25.124 0.300 2 898 85 85 LEU CG C 28.494 0.300 1 899 85 85 LEU N N 124.081 0.300 1 900 86 86 SER H H 9.209 0.030 1 901 86 86 SER HA H 4.444 0.030 1 902 86 86 SER HB2 H 3.951 0.030 2 903 86 86 SER HB3 H 3.835 0.030 2 904 86 86 SER C C 175.397 0.300 1 905 86 86 SER CA C 60.148 0.300 1 906 86 86 SER CB C 64.284 0.300 1 907 86 86 SER N N 122.884 0.300 1 908 87 87 PHE H H 7.863 0.030 1 909 87 87 PHE HA H 4.669 0.030 1 910 87 87 PHE HB2 H 3.971 0.030 2 911 87 87 PHE HB3 H 2.485 0.030 2 912 87 87 PHE HD1 H 7.259 0.030 1 913 87 87 PHE HD2 H 7.259 0.030 1 914 87 87 PHE HE1 H 7.410 0.030 1 915 87 87 PHE HE2 H 7.410 0.030 1 916 87 87 PHE HZ H 7.330 0.030 1 917 87 87 PHE C C 172.424 0.300 1 918 87 87 PHE CA C 58.898 0.300 1 919 87 87 PHE CB C 44.646 0.300 1 920 87 87 PHE CD1 C 132.240 0.300 1 921 87 87 PHE CD2 C 132.240 0.300 1 922 87 87 PHE CE1 C 132.160 0.300 1 923 87 87 PHE CE2 C 132.160 0.300 1 924 87 87 PHE CZ C 130.150 0.300 1 925 87 87 PHE N N 120.907 0.300 1 926 88 88 MET H H 7.299 0.030 1 927 88 88 MET HA H 5.200 0.030 1 928 88 88 MET HB2 H 2.153 0.030 2 929 88 88 MET HB3 H 2.220 0.030 2 930 88 88 MET HE H 2.005 0.030 1 931 88 88 MET HG2 H 2.295 0.030 1 932 88 88 MET HG3 H 2.295 0.030 1 933 88 88 MET C C 172.267 0.300 1 934 88 88 MET CA C 54.886 0.300 1 935 88 88 MET CB C 36.572 0.300 1 936 88 88 MET CE C 18.986 0.300 1 937 88 88 MET CG C 30.109 0.300 1 938 88 88 MET N N 120.841 0.300 1 939 89 89 GLY H H 8.075 0.030 1 940 89 89 GLY HA2 H 4.063 0.030 2 941 89 89 GLY HA3 H 3.726 0.030 2 942 89 89 GLY C C 169.496 0.300 1 943 89 89 GLY CA C 45.718 0.300 1 944 89 89 GLY N N 104.132 0.300 1 945 90 90 VAL H H 7.897 0.030 1 946 90 90 VAL HA H 4.912 0.030 1 947 90 90 VAL HB H 1.889 0.030 1 948 90 90 VAL HG1 H 1.293 0.030 1 949 90 90 VAL HG2 H 1.072 0.030 1 950 90 90 VAL C C 177.407 0.300 1 951 90 90 VAL CA C 60.780 0.300 1 952 90 90 VAL CB C 33.728 0.300 1 953 90 90 VAL CG1 C 20.703 0.300 2 954 90 90 VAL CG2 C 22.330 0.300 2 955 90 90 VAL N N 120.104 0.300 1 956 91 91 GLY H H 7.671 0.030 1 957 91 91 GLY HA2 H 4.238 0.030 2 958 91 91 GLY HA3 H 3.736 0.030 2 959 91 91 GLY C C 172.310 0.300 1 960 91 91 GLY CA C 44.666 0.300 1 961 91 91 GLY N N 112.312 0.300 1 962 92 92 LYS H H 7.864 0.030 1 963 92 92 LYS HA H 3.863 0.030 1 964 92 92 LYS HB2 H 1.776 0.030 2 965 92 92 LYS HB3 H 1.720 0.030 2 966 92 92 LYS HD2 H 1.678 0.030 1 967 92 92 LYS HD3 H 1.678 0.030 1 968 92 92 LYS HE2 H 2.930 0.030 1 969 92 92 LYS HE3 H 2.930 0.030 1 970 92 92 LYS HG2 H 1.458 0.030 2 971 92 92 LYS HG3 H 1.409 0.030 2 972 92 92 LYS C C 178.797 0.300 1 973 92 92 LYS CA C 59.120 0.300 1 974 92 92 LYS CB C 32.402 0.300 1 975 92 92 LYS CD C 29.196 0.300 1 976 92 92 LYS CE C 42.255 0.300 1 977 92 92 LYS CG C 25.265 0.300 1 978 92 92 LYS N N 117.535 0.300 1 979 93 93 ASP H H 8.395 0.030 1 980 93 93 ASP HA H 4.945 0.030 1 981 93 93 ASP HB2 H 2.900 0.030 2 982 93 93 ASP HB3 H 2.495 0.030 2 983 93 93 ASP C C 178.132 0.300 1 984 93 93 ASP CA C 53.236 0.300 1 985 93 93 ASP CB C 42.514 0.300 1 986 93 93 ASP N N 116.946 0.300 1 987 94 94 VAL H H 8.327 0.030 1 988 94 94 VAL HA H 3.959 0.030 1 989 94 94 VAL HB H 2.356 0.030 1 990 94 94 VAL HG1 H 1.031 0.030 1 991 94 94 VAL HG2 H 0.663 0.030 1 992 94 94 VAL C C 176.131 0.300 1 993 94 94 VAL CA C 63.762 0.300 1 994 94 94 VAL CB C 31.178 0.300 1 995 94 94 VAL CG1 C 20.695 0.300 2 996 94 94 VAL CG2 C 17.401 0.300 2 997 94 94 VAL N N 121.641 0.300 1 998 95 95 HIS H H 8.958 0.030 1 999 95 95 HIS HA H 3.971 0.030 1 1000 95 95 HIS HB2 H 1.606 0.030 2 1001 95 95 HIS HB3 H 0.746 0.030 2 1002 95 95 HIS HD2 H 7.068 0.030 1 1003 95 95 HIS HE1 H 8.677 0.030 1 1004 95 95 HIS C C 175.904 0.300 1 1005 95 95 HIS CA C 58.068 0.300 1 1006 95 95 HIS CB C 26.203 0.300 1 1007 95 95 HIS CD2 C 121.044 0.300 1 1008 95 95 HIS CE1 C 135.021 0.300 1 1009 95 95 HIS N N 117.461 0.300 1 1010 96 96 THR H H 8.502 0.030 1 1011 96 96 THR HA H 5.207 0.030 1 1012 96 96 THR HB H 3.956 0.030 1 1013 96 96 THR HG2 H 1.367 0.030 1 1014 96 96 THR C C 172.529 0.300 1 1015 96 96 THR CA C 60.377 0.300 1 1016 96 96 THR CB C 72.067 0.300 1 1017 96 96 THR CG2 C 24.294 0.300 1 1018 96 96 THR N N 109.954 0.300 1 1019 97 97 PHE H H 8.691 0.030 1 1020 97 97 PHE HA H 5.276 0.030 1 1021 97 97 PHE HB2 H 3.186 0.030 2 1022 97 97 PHE HB3 H 2.420 0.030 2 1023 97 97 PHE HD1 H 6.909 0.030 1 1024 97 97 PHE HD2 H 6.909 0.030 1 1025 97 97 PHE HE1 H 7.090 0.030 1 1026 97 97 PHE HE2 H 7.090 0.030 1 1027 97 97 PHE HZ H 7.140 0.030 1 1028 97 97 PHE C C 172.389 0.300 1 1029 97 97 PHE CA C 55.549 0.300 1 1030 97 97 PHE CB C 44.581 0.300 1 1031 97 97 PHE CD1 C 131.641 0.300 1 1032 97 97 PHE CD2 C 131.641 0.300 1 1033 97 97 PHE CE1 C 130.575 0.300 1 1034 97 97 PHE CE2 C 130.575 0.300 1 1035 97 97 PHE CZ C 129.111 0.300 1 1036 97 97 PHE N N 121.035 0.300 1 1037 98 98 ALA H H 8.117 0.030 1 1038 98 98 ALA HA H 5.521 0.030 1 1039 98 98 ALA HB H 1.061 0.030 1 1040 98 98 ALA C C 174.286 0.300 1 1041 98 98 ALA CA C 49.790 0.300 1 1042 98 98 ALA CB C 25.299 0.300 1 1043 98 98 ALA N N 127.671 0.300 1 1044 99 99 PHE H H 8.107 0.030 1 1045 99 99 PHE HA H 5.390 0.030 1 1046 99 99 PHE HB2 H 3.392 0.030 2 1047 99 99 PHE HB3 H 2.819 0.030 2 1048 99 99 PHE HD1 H 7.084 0.030 1 1049 99 99 PHE HD2 H 7.084 0.030 1 1050 99 99 PHE HE1 H 7.161 0.030 1 1051 99 99 PHE HE2 H 7.161 0.030 1 1052 99 99 PHE HZ H 6.796 0.030 1 1053 99 99 PHE C C 172.712 0.300 1 1054 99 99 PHE CA C 54.997 0.300 1 1055 99 99 PHE CB C 43.257 0.300 1 1056 99 99 PHE CD1 C 132.508 0.300 1 1057 99 99 PHE CD2 C 132.508 0.300 1 1058 99 99 PHE CE1 C 130.853 0.300 1 1059 99 99 PHE CE2 C 130.853 0.300 1 1060 99 99 PHE CZ C 127.870 0.300 1 1061 99 99 PHE N N 111.007 0.300 1 1062 100 100 ILE H H 9.243 0.030 1 1063 100 100 ILE HA H 5.081 0.030 1 1064 100 100 ILE HB H 1.755 0.030 1 1065 100 100 ILE HD1 H 0.616 0.030 1 1066 100 100 ILE HG12 H 1.685 0.030 2 1067 100 100 ILE HG13 H 0.610 0.030 2 1068 100 100 ILE HG2 H 0.883 0.030 1 1069 100 100 ILE C C 174.252 0.300 1 1070 100 100 ILE CA C 60.672 0.300 1 1071 100 100 ILE CB C 39.781 0.300 1 1072 100 100 ILE CD1 C 12.978 0.300 1 1073 100 100 ILE CG1 C 28.705 0.300 1 1074 100 100 ILE CG2 C 18.875 0.300 1 1075 100 100 ILE N N 120.979 0.300 1 1076 101 101 MET H H 9.542 0.030 1 1077 101 101 MET HA H 5.698 0.030 1 1078 101 101 MET HB2 H 2.366 0.030 2 1079 101 101 MET HB3 H 2.263 0.030 2 1080 101 101 MET HE H 2.207 0.030 1 1081 101 101 MET HG2 H 2.757 0.030 2 1082 101 101 MET HG3 H 2.704 0.030 2 1083 101 101 MET C C 174.548 0.300 1 1084 101 101 MET CA C 53.635 0.300 1 1085 101 101 MET CB C 37.442 0.300 1 1086 101 101 MET CE C 17.568 0.300 1 1087 101 101 MET CG C 32.005 0.300 1 1088 101 101 MET N N 125.059 0.300 1 1089 102 102 ASP H H 9.253 0.030 1 1090 102 102 ASP HA H 5.040 0.030 1 1091 102 102 ASP HB2 H 3.238 0.030 2 1092 102 102 ASP HB3 H 2.852 0.030 2 1093 102 102 ASP C C 176.856 0.300 1 1094 102 102 ASP CA C 53.244 0.300 1 1095 102 102 ASP CB C 41.965 0.300 1 1096 102 102 ASP N N 124.283 0.300 1 1097 103 103 THR H H 8.408 0.030 1 1098 103 103 THR HA H 4.231 0.030 1 1099 103 103 THR HB H 4.389 0.030 1 1100 103 103 THR HG2 H 1.171 0.030 1 1101 103 103 THR C C 175.256 0.300 1 1102 103 103 THR CA C 61.736 0.300 1 1103 103 103 THR CB C 68.934 0.300 1 1104 103 103 THR CG2 C 21.994 0.300 1 1105 103 103 THR N N 115.687 0.300 1 1106 104 104 GLY H H 8.684 0.030 1 1107 104 104 GLY HA2 H 4.298 0.030 2 1108 104 104 GLY HA3 H 3.710 0.030 2 1109 104 104 GLY C C 174.085 0.300 1 1110 104 104 GLY CA C 44.950 0.300 1 1111 104 104 GLY N N 111.925 0.300 1 1112 105 105 ASN H H 8.549 0.030 1 1113 105 105 ASN HA H 4.503 0.030 1 1114 105 105 ASN HB2 H 2.843 0.030 2 1115 105 105 ASN HB3 H 2.637 0.030 2 1116 105 105 ASN HD21 H 7.462 0.030 2 1117 105 105 ASN HD22 H 6.847 0.030 2 1118 105 105 ASN C C 174.164 0.300 1 1119 105 105 ASN CA C 53.379 0.300 1 1120 105 105 ASN CB C 38.121 0.300 1 1121 105 105 ASN N N 117.652 0.300 1 1122 105 105 ASN ND2 N 112.819 0.300 1 1123 106 106 GLN H H 8.954 0.030 1 1124 106 106 GLN HA H 3.351 0.030 1 1125 106 106 GLN HB2 H 2.212 0.030 2 1126 106 106 GLN HB3 H 2.184 0.030 2 1127 106 106 GLN HE21 H 6.846 0.030 2 1128 106 106 GLN HE22 H 7.620 0.030 2 1129 106 106 GLN HG2 H 2.303 0.030 1 1130 106 106 GLN HG3 H 2.303 0.030 1 1131 106 106 GLN C C 173.849 0.300 1 1132 106 106 GLN CA C 56.787 0.300 1 1133 106 106 GLN CB C 26.074 0.300 1 1134 106 106 GLN CG C 34.673 0.300 1 1135 106 106 GLN N N 112.441 0.300 1 1136 106 106 GLN NE2 N 112.400 0.300 1 1137 107 107 ARG H H 7.021 0.030 1 1138 107 107 ARG HA H 4.304 0.030 1 1139 107 107 ARG HB2 H 1.693 0.030 2 1140 107 107 ARG HB3 H 1.609 0.030 2 1141 107 107 ARG HD2 H 3.123 0.030 1 1142 107 107 ARG HD3 H 3.123 0.030 1 1143 107 107 ARG HG2 H 1.519 0.030 2 1144 107 107 ARG HG3 H 1.384 0.030 2 1145 107 107 ARG C C 174.514 0.300 1 1146 107 107 ARG CA C 54.696 0.300 1 1147 107 107 ARG CB C 30.564 0.300 1 1148 107 107 ARG CD C 43.519 0.300 1 1149 107 107 ARG CG C 27.230 0.300 1 1150 107 107 ARG N N 118.311 0.300 1 1151 108 108 PHE H H 8.433 0.030 1 1152 108 108 PHE HA H 5.535 0.030 1 1153 108 108 PHE HB2 H 2.900 0.030 2 1154 108 108 PHE HB3 H 2.702 0.030 2 1155 108 108 PHE HD1 H 7.004 0.030 1 1156 108 108 PHE HD2 H 7.004 0.030 1 1157 108 108 PHE HE1 H 7.262 0.030 1 1158 108 108 PHE HE2 H 7.262 0.030 1 1159 108 108 PHE HZ H 7.230 0.030 1 1160 108 108 PHE C C 175.912 0.300 1 1161 108 108 PHE CA C 55.824 0.300 1 1162 108 108 PHE CB C 40.383 0.300 1 1163 108 108 PHE CD1 C 131.454 0.300 1 1164 108 108 PHE CD2 C 131.454 0.300 1 1165 108 108 PHE CE1 C 131.461 0.300 1 1166 108 108 PHE CE2 C 131.461 0.300 1 1167 108 108 PHE CZ C 129.403 0.300 1 1168 108 108 PHE N N 125.060 0.300 1 1169 109 109 GLU H H 8.891 0.030 1 1170 109 109 GLU HA H 4.633 0.030 1 1171 109 109 GLU HB2 H 2.005 0.030 2 1172 109 109 GLU HB3 H 1.729 0.030 2 1173 109 109 GLU HG2 H 2.243 0.030 1 1174 109 109 GLU HG3 H 2.243 0.030 1 1175 109 109 GLU C C 174.164 0.300 1 1176 109 109 GLU CA C 55.292 0.300 1 1177 109 109 GLU CB C 33.826 0.300 1 1178 109 109 GLU CG C 36.358 0.300 1 1179 109 109 GLU N N 121.204 0.300 1 1180 110 110 CYS H H 8.881 0.030 1 1181 110 110 CYS HA H 5.480 0.030 1 1182 110 110 CYS HB2 H 2.732 0.030 2 1183 110 110 CYS HB3 H 2.422 0.030 2 1184 110 110 CYS C C 172.520 0.300 1 1185 110 110 CYS CA C 56.523 0.300 1 1186 110 110 CYS CB C 29.239 0.300 1 1187 110 110 CYS N N 124.631 0.300 1 1188 111 111 HIS H H 8.557 0.030 1 1189 111 111 HIS HA H 4.770 0.030 1 1190 111 111 HIS HB2 H 2.611 0.030 2 1191 111 111 HIS HB3 H 1.790 0.030 2 1192 111 111 HIS HD2 H 6.566 0.030 1 1193 111 111 HIS HE1 H 7.720 0.030 1 1194 111 111 HIS C C 174.269 0.300 1 1195 111 111 HIS CA C 55.585 0.300 1 1196 111 111 HIS CB C 34.117 0.300 1 1197 111 111 HIS CD2 C 116.706 0.300 1 1198 111 111 HIS CE1 C 138.916 0.300 1 1199 111 111 HIS N N 129.194 0.300 1 1200 112 112 VAL H H 7.538 0.030 1 1201 112 112 VAL HA H 4.560 0.030 1 1202 112 112 VAL HB H 1.438 0.030 1 1203 112 112 VAL HG1 H 0.880 0.030 1 1204 112 112 VAL HG2 H 0.629 0.030 1 1205 112 112 VAL C C 173.281 0.300 1 1206 112 112 VAL CA C 61.677 0.300 1 1207 112 112 VAL CB C 33.693 0.300 1 1208 112 112 VAL CG1 C 24.158 0.300 2 1209 112 112 VAL CG2 C 22.498 0.300 2 1210 112 112 VAL N N 119.856 0.300 1 1211 113 113 PHE H H 9.454 0.030 1 1212 113 113 PHE HA H 5.461 0.030 1 1213 113 113 PHE HB2 H 3.210 0.030 2 1214 113 113 PHE HB3 H 2.818 0.030 2 1215 113 113 PHE HD1 H 7.278 0.030 1 1216 113 113 PHE HD2 H 7.278 0.030 1 1217 113 113 PHE HE1 H 6.880 0.030 1 1218 113 113 PHE HE2 H 6.880 0.030 1 1219 113 113 PHE HZ H 6.791 0.030 1 1220 113 113 PHE C C 173.368 0.300 1 1221 113 113 PHE CA C 56.855 0.300 1 1222 113 113 PHE CB C 42.963 0.300 1 1223 113 113 PHE CD1 C 132.272 0.300 1 1224 113 113 PHE CD2 C 132.272 0.300 1 1225 113 113 PHE CE1 C 131.495 0.300 1 1226 113 113 PHE CE2 C 131.495 0.300 1 1227 113 113 PHE CZ C 127.970 0.300 1 1228 113 113 PHE N N 124.182 0.300 1 1229 114 114 TRP H H 9.246 0.030 1 1230 114 114 TRP HA H 4.895 0.030 1 1231 114 114 TRP HB2 H 3.178 0.030 2 1232 114 114 TRP HB3 H 2.919 0.030 2 1233 114 114 TRP HD1 H 7.314 0.030 1 1234 114 114 TRP HE1 H 10.792 0.030 1 1235 114 114 TRP HE3 H 7.261 0.030 1 1236 114 114 TRP HH2 H 7.180 0.030 1 1237 114 114 TRP HZ2 H 6.598 0.030 1 1238 114 114 TRP HZ3 H 7.045 0.030 1 1239 114 114 TRP C C 176.025 0.300 1 1240 114 114 TRP CA C 56.855 0.300 1 1241 114 114 TRP CB C 31.662 0.300 1 1242 114 114 TRP CD1 C 127.347 0.300 1 1243 114 114 TRP CE3 C 120.371 0.300 1 1244 114 114 TRP CH2 C 124.497 0.300 1 1245 114 114 TRP CZ2 C 114.125 0.300 1 1246 114 114 TRP CZ3 C 121.618 0.300 1 1247 114 114 TRP N N 122.233 0.300 1 1248 114 114 TRP NE1 N 131.713 0.300 1 1249 115 115 CYS H H 9.273 0.030 1 1250 115 115 CYS HA H 4.862 0.030 1 1251 115 115 CYS HB2 H 2.783 0.030 2 1252 115 115 CYS HB3 H 2.420 0.030 2 1253 115 115 CYS C C 172.809 0.300 1 1254 115 115 CYS CA C 57.039 0.300 1 1255 115 115 CYS CB C 30.718 0.300 1 1256 115 115 CYS N N 129.538 0.300 1 1257 116 116 GLU H H 8.807 0.030 1 1258 116 116 GLU HA H 4.696 0.030 1 1259 116 116 GLU HB2 H 2.174 0.030 2 1260 116 116 GLU HB3 H 1.949 0.030 2 1261 116 116 GLU HG2 H 2.664 0.030 2 1262 116 116 GLU HG3 H 2.494 0.030 2 1263 116 116 GLU C C 176.646 0.300 1 1264 116 116 GLU CA C 53.278 0.300 1 1265 116 116 GLU CB C 31.009 0.300 1 1266 116 116 GLU CG C 35.291 0.300 1 1267 116 116 GLU N N 120.207 0.300 1 1268 117 117 PRO HA H 5.094 0.030 1 1269 117 117 PRO HB2 H 2.532 0.030 2 1270 117 117 PRO HB3 H 2.194 0.030 2 1271 117 117 PRO HD2 H 3.600 0.030 2 1272 117 117 PRO HD3 H 3.916 0.030 2 1273 117 117 PRO HG2 H 1.843 0.030 2 1274 117 117 PRO HG3 H 2.123 0.030 2 1275 117 117 PRO C C 175.423 0.300 1 1276 117 117 PRO CA C 64.287 0.300 1 1277 117 117 PRO CB C 33.924 0.300 1 1278 117 117 PRO CD C 49.978 0.300 1 1279 117 117 PRO CG C 24.842 0.300 1 1280 118 118 ASN H H 7.430 0.030 1 1281 118 118 ASN HA H 3.935 0.030 1 1282 118 118 ASN HB2 H 2.915 0.030 2 1283 118 118 ASN HB3 H 2.489 0.030 2 1284 118 118 ASN HD21 H 7.561 0.030 2 1285 118 118 ASN HD22 H 7.008 0.030 2 1286 118 118 ASN C C 173.587 0.300 1 1287 118 118 ASN CA C 52.953 0.300 1 1288 118 118 ASN CB C 38.703 0.300 1 1289 118 118 ASN N N 111.676 0.300 1 1290 118 118 ASN ND2 N 115.548 0.300 1 1291 119 119 ALA H H 8.404 0.030 1 1292 119 119 ALA HA H 4.155 0.030 1 1293 119 119 ALA HB H 1.299 0.030 1 1294 119 119 ALA C C 176.673 0.300 1 1295 119 119 ALA CA C 52.386 0.300 1 1296 119 119 ALA CB C 21.095 0.300 1 1297 119 119 ALA N N 117.462 0.300 1 1298 120 120 ALA H H 8.385 0.030 1 1299 120 120 ALA HA H 3.778 0.030 1 1300 120 120 ALA HB H 1.309 0.030 1 1301 120 120 ALA C C 179.444 0.300 1 1302 120 120 ALA CA C 56.789 0.300 1 1303 120 120 ALA CB C 18.361 0.300 1 1304 120 120 ALA N N 123.605 0.300 1 1305 121 121 ASN H H 8.235 0.030 1 1306 121 121 ASN HA H 4.337 0.030 1 1307 121 121 ASN HB2 H 2.842 0.030 2 1308 121 121 ASN HB3 H 2.812 0.030 2 1309 121 121 ASN HD21 H 6.983 0.030 2 1310 121 121 ASN HD22 H 7.688 0.030 2 1311 121 121 ASN C C 177.870 0.300 1 1312 121 121 ASN CA C 56.036 0.300 1 1313 121 121 ASN CB C 37.185 0.300 1 1314 121 121 ASN N N 115.231 0.300 1 1315 121 121 ASN ND2 N 111.416 0.300 1 1316 122 122 VAL H H 7.466 0.030 1 1317 122 122 VAL HA H 2.218 0.030 1 1318 122 122 VAL HB H 1.145 0.030 1 1319 122 122 VAL HG1 H -0.256 0.030 1 1320 122 122 VAL HG2 H 0.138 0.030 1 1321 122 122 VAL C C 176.096 0.300 1 1322 122 122 VAL CA C 65.584 0.300 1 1323 122 122 VAL CB C 31.536 0.300 1 1324 122 122 VAL CG1 C 20.624 0.300 2 1325 122 122 VAL CG2 C 22.356 0.300 2 1326 122 122 VAL N N 123.135 0.300 1 1327 123 123 SER H H 7.590 0.030 1 1328 123 123 SER HA H 3.324 0.030 1 1329 123 123 SER HB2 H 3.709 0.030 2 1330 123 123 SER HB3 H 3.557 0.030 2 1331 123 123 SER C C 177.127 0.300 1 1332 123 123 SER CA C 60.684 0.300 1 1333 123 123 SER CB C 62.927 0.300 1 1334 123 123 SER N N 111.841 0.300 1 1335 124 124 GLU H H 7.840 0.030 1 1336 124 124 GLU HA H 3.872 0.030 1 1337 124 124 GLU HB2 H 2.027 0.030 2 1338 124 124 GLU HB3 H 1.978 0.030 2 1339 124 124 GLU HG2 H 2.377 0.030 2 1340 124 124 GLU HG3 H 2.221 0.030 2 1341 124 124 GLU C C 179.024 0.300 1 1342 124 124 GLU CA C 59.303 0.300 1 1343 124 124 GLU CB C 29.627 0.300 1 1344 124 124 GLU CG C 36.498 0.300 1 1345 124 124 GLU N N 118.780 0.300 1 1346 125 125 ALA H H 7.597 0.030 1 1347 125 125 ALA HA H 4.193 0.030 1 1348 125 125 ALA HB H 1.501 0.030 1 1349 125 125 ALA C C 180.650 0.300 1 1350 125 125 ALA CA C 55.003 0.300 1 1351 125 125 ALA CB C 19.030 0.300 1 1352 125 125 ALA N N 121.807 0.300 1 1353 126 126 VAL H H 8.251 0.030 1 1354 126 126 VAL HA H 3.359 0.030 1 1355 126 126 VAL HB H 1.938 0.030 1 1356 126 126 VAL HG1 H 0.795 0.030 1 1357 126 126 VAL HG2 H 0.721 0.030 1 1358 126 126 VAL C C 177.844 0.300 1 1359 126 126 VAL CA C 67.060 0.300 1 1360 126 126 VAL CB C 31.306 0.300 1 1361 126 126 VAL CG1 C 23.249 0.300 2 1362 126 126 VAL CG2 C 23.493 0.300 2 1363 126 126 VAL N N 119.800 0.300 1 1364 127 127 GLN H H 8.498 0.030 1 1365 127 127 GLN HA H 3.863 0.030 1 1366 127 127 GLN HB2 H 2.163 0.030 2 1367 127 127 GLN HB3 H 2.056 0.030 2 1368 127 127 GLN HE21 H 6.797 0.030 2 1369 127 127 GLN HE22 H 7.225 0.030 2 1370 127 127 GLN HG2 H 2.391 0.030 2 1371 127 127 GLN HG3 H 2.309 0.030 2 1372 127 127 GLN C C 179.260 0.300 1 1373 127 127 GLN CA C 59.769 0.300 1 1374 127 127 GLN CB C 28.852 0.300 1 1375 127 127 GLN CG C 34.322 0.300 1 1376 127 127 GLN N N 119.820 0.300 1 1377 127 127 GLN NE2 N 111.771 0.300 1 1378 128 128 ALA H H 8.029 0.030 1 1379 128 128 ALA HA H 4.097 0.030 1 1380 128 128 ALA HB H 1.478 0.030 1 1381 128 128 ALA C C 180.362 0.300 1 1382 128 128 ALA CA C 54.849 0.300 1 1383 128 128 ALA CB C 17.967 0.300 1 1384 128 128 ALA N N 121.231 0.300 1 1385 129 129 ALA H H 7.603 0.030 1 1386 129 129 ALA HA H 4.203 0.030 1 1387 129 129 ALA HB H 1.382 0.030 1 1388 129 129 ALA C C 179.181 0.300 1 1389 129 129 ALA CA C 54.243 0.300 1 1390 129 129 ALA CB C 18.128 0.300 1 1391 129 129 ALA N N 120.847 0.300 1 1392 130 130 CYS H H 7.669 0.030 1 1393 130 130 CYS HA H 4.174 0.030 1 1394 130 130 CYS HB2 H 2.992 0.030 2 1395 130 130 CYS HB3 H 2.956 0.030 2 1396 130 130 CYS C C 175.388 0.300 1 1397 130 130 CYS CA C 61.246 0.300 1 1398 130 130 CYS CB C 27.851 0.300 1 1399 130 130 CYS N N 114.207 0.300 1 1400 131 131 SER H H 7.814 0.030 1 1401 131 131 SER HA H 4.462 0.030 1 1402 131 131 SER HB2 H 3.932 0.030 1 1403 131 131 SER HB3 H 3.932 0.030 1 1404 131 131 SER C C 174.601 0.300 1 1405 131 131 SER CA C 59.079 0.300 1 1406 131 131 SER CB C 63.960 0.300 1 1407 131 131 SER N N 114.544 0.300 1 1408 132 132 GLY H H 7.944 0.030 1 1409 132 132 GLY HA2 H 4.185 0.030 2 1410 132 132 GLY HA3 H 4.100 0.030 2 1411 132 132 GLY C C 171.873 0.300 1 1412 132 132 GLY CA C 45.010 0.300 1 1413 132 132 GLY N N 110.206 0.300 1 1414 133 133 PRO HA H 4.478 0.030 1 1415 133 133 PRO HB2 H 2.297 0.030 2 1416 133 133 PRO HB3 H 1.972 0.030 2 1417 133 133 PRO HD2 H 3.640 0.030 1 1418 133 133 PRO HD3 H 3.640 0.030 1 1419 133 133 PRO HG2 H 2.016 0.030 1 1420 133 133 PRO HG3 H 2.016 0.030 1 1421 133 133 PRO C C 177.486 0.300 1 1422 133 133 PRO CA C 63.291 0.300 1 1423 133 133 PRO CB C 32.376 0.300 1 1424 133 133 PRO CD C 49.978 0.300 1 1425 133 133 PRO CG C 27.230 0.300 1 1426 134 134 SER H H 8.508 0.030 1 1427 134 134 SER C C 174.671 0.300 1 1428 134 134 SER CA C 58.310 0.300 1 1429 134 134 SER CB C 63.896 0.300 1 1430 134 134 SER N N 116.330 0.300 1 1431 135 135 SER H H 8.304 0.030 1 1432 135 135 SER HA H 4.488 0.030 1 1433 135 135 SER HB2 H 3.895 0.030 1 1434 135 135 SER HB3 H 3.895 0.030 1 1435 135 135 SER C C 173.945 0.300 1 1436 135 135 SER CA C 58.374 0.300 1 1437 135 135 SER CB C 64.090 0.300 1 1438 135 135 SER N N 117.797 0.300 1 1439 136 136 GLY H H 8.038 0.030 1 1440 136 136 GLY HA2 H 3.771 0.030 1 1441 136 136 GLY HA3 H 3.771 0.030 1 1442 136 136 GLY C C 173.954 0.300 1 1443 136 136 GLY CA C 46.252 0.300 1 1444 136 136 GLY N N 116.740 0.300 1 stop_ save_