data_10312 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of Protein kinase C, nu type from human ; _BMRB_accession_number 10312 _BMRB_flat_file_name bmr10312.str _Entry_type new _Submission_date 2009-03-11 _Accession_date 2009-03-11 _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 Tomizawa T. . . 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" 722 "13C chemical shifts" 545 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-11 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the PH domain of Protein kinase C, nu type from human' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Solution structure of the PH domain of Protein kinase C, nu type from human' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PH 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 'PH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; GSSGSSGMVKEGWMVHYTSR DNLRKRHYWRLDSKCLTLFQ NESGSKYYKEIPLSEILRIS SPRDFTNISQGSNPHCFEII TDTMVYFVGENNGDSSHNPV LAATGVGLDVAQSWEKAIRQ ALMSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 VAL 10 LYS 11 GLU 12 GLY 13 TRP 14 MET 15 VAL 16 HIS 17 TYR 18 THR 19 SER 20 ARG 21 ASP 22 ASN 23 LEU 24 ARG 25 LYS 26 ARG 27 HIS 28 TYR 29 TRP 30 ARG 31 LEU 32 ASP 33 SER 34 LYS 35 CYS 36 LEU 37 THR 38 LEU 39 PHE 40 GLN 41 ASN 42 GLU 43 SER 44 GLY 45 SER 46 LYS 47 TYR 48 TYR 49 LYS 50 GLU 51 ILE 52 PRO 53 LEU 54 SER 55 GLU 56 ILE 57 LEU 58 ARG 59 ILE 60 SER 61 SER 62 PRO 63 ARG 64 ASP 65 PHE 66 THR 67 ASN 68 ILE 69 SER 70 GLN 71 GLY 72 SER 73 ASN 74 PRO 75 HIS 76 CYS 77 PHE 78 GLU 79 ILE 80 ILE 81 THR 82 ASP 83 THR 84 MET 85 VAL 86 TYR 87 PHE 88 VAL 89 GLY 90 GLU 91 ASN 92 ASN 93 GLY 94 ASP 95 SER 96 SER 97 HIS 98 ASN 99 PRO 100 VAL 101 LEU 102 ALA 103 ALA 104 THR 105 GLY 106 VAL 107 GLY 108 LEU 109 ASP 110 VAL 111 ALA 112 GLN 113 SER 114 TRP 115 GLU 116 LYS 117 ALA 118 ILE 119 ARG 120 GLN 121 ALA 122 LEU 123 MET 124 SER 125 GLY 126 PRO 127 SER 128 SER 129 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2D9Z "Solution Structure Of The Ph Domain Of Protein Kinase C, Nu Type From Human" 100.00 129 100.00 100.00 2.00e-90 DBJ BAA36514 "serine/threonine kinase [Homo sapiens]" 92.25 890 99.16 99.16 3.17e-75 DBJ BAG51354 "unnamed protein product [Homo sapiens]" 92.25 631 99.16 99.16 8.01e-77 GB AAH30706 "PRKD3 protein [Homo sapiens]" 92.25 611 99.16 99.16 3.23e-77 GB AAY14817 "unknown [Homo sapiens]" 92.25 890 99.16 99.16 3.17e-75 GB ADZ15743 "protein kinase D3 [synthetic construct]" 92.25 611 99.16 99.16 3.23e-77 GB AIC62718 "PRKD3, partial [synthetic construct]" 92.25 611 99.16 99.16 3.23e-77 GB EAX00398 "protein kinase D3, isoform CRA_a [Homo sapiens]" 92.25 890 99.16 99.16 3.17e-75 REF NP_001244477 "serine/threonine-protein kinase D3 [Macaca mulatta]" 92.25 890 99.16 99.16 3.05e-75 REF NP_005804 "serine/threonine-protein kinase D3 [Homo sapiens]" 92.25 890 99.16 99.16 3.17e-75 REF XP_002757895 "PREDICTED: serine/threonine-protein kinase D3 isoform X2 [Callithrix jacchus]" 92.25 890 99.16 99.16 3.11e-75 REF XP_002812168 "PREDICTED: serine/threonine-protein kinase D3 [Pongo abelii]" 92.25 890 99.16 99.16 3.17e-75 REF XP_003125283 "PREDICTED: serine/threonine-protein kinase D3 isoform X2 [Sus scrofa]" 92.25 890 97.48 98.32 9.88e-74 SP O94806 "RecName: Full=Serine/threonine-protein kinase D3; AltName: Full=Protein kinase C nu type; AltName: Full=Protein kinase EPK2; Al" 92.25 890 99.16 99.16 3.17e-75 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 human 9606 Eukaryota Metazoa Homo sapiens 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 P050711-24 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 0.42 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement 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_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 296 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 15N-separated NOESY' '3D 13C-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 'PH 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 6 6 SER HA H 4.488 0.030 1 2 6 6 SER HB2 H 3.895 0.030 1 3 6 6 SER HB3 H 3.895 0.030 1 4 6 6 SER C C 175.045 0.300 1 5 6 6 SER CA C 58.653 0.300 1 6 6 6 SER CB C 63.677 0.300 1 7 7 7 GLY H H 8.440 0.030 1 8 7 7 GLY HA2 H 3.965 0.030 1 9 7 7 GLY HA3 H 3.965 0.030 1 10 7 7 GLY C C 173.907 0.300 1 11 7 7 GLY CA C 45.418 0.300 1 12 7 7 GLY N N 110.880 0.300 1 13 8 8 MET H H 8.136 0.030 1 14 8 8 MET HA H 4.458 0.030 1 15 8 8 MET HB2 H 2.014 0.030 2 16 8 8 MET HB3 H 1.952 0.030 2 17 8 8 MET HE H 2.022 0.030 1 18 8 8 MET HG2 H 2.474 0.030 2 19 8 8 MET HG3 H 2.590 0.030 2 20 8 8 MET C C 176.234 0.300 1 21 8 8 MET CA C 55.688 0.300 1 22 8 8 MET CB C 32.275 0.300 1 23 8 8 MET CE C 17.215 0.300 1 24 8 8 MET CG C 32.116 0.300 1 25 8 8 MET N N 120.361 0.300 1 26 9 9 VAL H H 8.847 0.030 1 27 9 9 VAL HA H 4.162 0.030 1 28 9 9 VAL HB H 1.775 0.030 1 29 9 9 VAL HG1 H 0.849 0.030 1 30 9 9 VAL HG2 H 0.852 0.030 1 31 9 9 VAL C C 175.878 0.300 1 32 9 9 VAL CA C 63.100 0.300 1 33 9 9 VAL CB C 33.493 0.300 1 34 9 9 VAL CG1 C 21.155 0.300 2 35 9 9 VAL CG2 C 20.773 0.300 2 36 9 9 VAL N N 123.850 0.300 1 37 10 10 LYS H H 7.842 0.030 1 38 10 10 LYS HA H 4.295 0.030 1 39 10 10 LYS HB2 H 1.242 0.030 2 40 10 10 LYS HB3 H 0.921 0.030 2 41 10 10 LYS HD2 H 0.773 0.030 2 42 10 10 LYS HD3 H -0.415 0.030 2 43 10 10 LYS HE2 H 0.965 0.030 2 44 10 10 LYS HE3 H 1.772 0.030 2 45 10 10 LYS HG2 H 0.054 0.030 2 46 10 10 LYS HG3 H 0.862 0.030 2 47 10 10 LYS C C 172.850 0.300 1 48 10 10 LYS CA C 56.235 0.300 1 49 10 10 LYS CB C 36.015 0.300 1 50 10 10 LYS CD C 28.965 0.300 1 51 10 10 LYS CE C 40.420 0.300 1 52 10 10 LYS CG C 25.275 0.300 1 53 10 10 LYS N N 121.823 0.300 1 54 11 11 GLU H H 8.386 0.030 1 55 11 11 GLU HA H 6.012 0.030 1 56 11 11 GLU HB2 H 2.077 0.030 2 57 11 11 GLU HB3 H 2.249 0.030 2 58 11 11 GLU HG2 H 2.265 0.030 1 59 11 11 GLU HG3 H 2.265 0.030 1 60 11 11 GLU C C 175.686 0.300 1 61 11 11 GLU CA C 54.266 0.300 1 62 11 11 GLU CB C 34.241 0.300 1 63 11 11 GLU CG C 35.923 0.300 1 64 11 11 GLU N N 121.816 0.300 1 65 12 12 GLY H H 8.441 0.030 1 66 12 12 GLY HA2 H 3.722 0.030 1 67 12 12 GLY HA3 H 3.722 0.030 1 68 12 12 GLY C C 171.375 0.300 1 69 12 12 GLY CA C 45.489 0.300 1 70 12 12 GLY N N 109.257 0.300 1 71 13 13 TRP H H 8.504 0.030 1 72 13 13 TRP HA H 5.013 0.030 1 73 13 13 TRP HB2 H 3.105 0.030 2 74 13 13 TRP HB3 H 2.899 0.030 2 75 13 13 TRP HD1 H 7.727 0.030 1 76 13 13 TRP HE1 H 10.642 0.030 1 77 13 13 TRP HE3 H 7.469 0.030 1 78 13 13 TRP HH2 H 7.418 0.030 1 79 13 13 TRP HZ2 H 7.699 0.030 1 80 13 13 TRP HZ3 H 6.909 0.030 1 81 13 13 TRP C C 176.240 0.300 1 82 13 13 TRP CA C 58.026 0.300 1 83 13 13 TRP CB C 30.748 0.300 1 84 13 13 TRP CD1 C 128.214 0.300 1 85 13 13 TRP CE3 C 120.491 0.300 1 86 13 13 TRP CH2 C 124.456 0.300 1 87 13 13 TRP CZ2 C 114.906 0.300 1 88 13 13 TRP CZ3 C 121.435 0.300 1 89 13 13 TRP N N 120.674 0.300 1 90 13 13 TRP NE1 N 130.638 0.300 1 91 14 14 MET H H 8.874 0.030 1 92 14 14 MET HA H 4.725 0.030 1 93 14 14 MET HB2 H -0.918 0.030 2 94 14 14 MET HB3 H 0.659 0.030 2 95 14 14 MET HE H 1.892 0.030 1 96 14 14 MET HG2 H 0.375 0.030 2 97 14 14 MET HG3 H 0.971 0.030 2 98 14 14 MET C C 173.538 0.300 1 99 14 14 MET CA C 53.588 0.300 1 100 14 14 MET CB C 28.992 0.300 1 101 14 14 MET CE C 14.399 0.300 1 102 14 14 MET CG C 29.022 0.300 1 103 14 14 MET N N 116.448 0.300 1 104 15 15 VAL H H 8.115 0.030 1 105 15 15 VAL HA H 5.962 0.030 1 106 15 15 VAL HB H 1.895 0.030 1 107 15 15 VAL HG1 H 0.921 0.030 1 108 15 15 VAL HG2 H 0.873 0.030 1 109 15 15 VAL C C 175.739 0.300 1 110 15 15 VAL CA C 58.212 0.300 1 111 15 15 VAL CB C 35.270 0.300 1 112 15 15 VAL CG1 C 21.012 0.300 2 113 15 15 VAL CG2 C 18.846 0.300 2 114 15 15 VAL N N 117.189 0.300 1 115 16 16 HIS H H 8.974 0.030 1 116 16 16 HIS HA H 5.750 0.030 1 117 16 16 HIS HB2 H 3.354 0.030 2 118 16 16 HIS HB3 H 3.299 0.030 2 119 16 16 HIS HD2 H 6.829 0.030 1 120 16 16 HIS HE1 H 6.824 0.030 1 121 16 16 HIS C C 172.362 0.300 1 122 16 16 HIS CA C 56.835 0.300 1 123 16 16 HIS CB C 33.082 0.300 1 124 16 16 HIS CD2 C 128.826 0.300 1 125 16 16 HIS CE1 C 135.950 0.300 1 126 16 16 HIS N N 117.416 0.300 1 127 17 17 TYR H H 8.554 0.030 1 128 17 17 TYR HA H 5.249 0.030 1 129 17 17 TYR HB2 H 3.571 0.030 2 130 17 17 TYR HB3 H 2.484 0.030 2 131 17 17 TYR HD1 H 7.043 0.030 1 132 17 17 TYR HD2 H 7.043 0.030 1 133 17 17 TYR HE1 H 6.174 0.030 1 134 17 17 TYR HE2 H 6.174 0.030 1 135 17 17 TYR C C 174.477 0.300 1 136 17 17 TYR CA C 57.118 0.300 1 137 17 17 TYR CB C 39.291 0.300 1 138 17 17 TYR CD1 C 133.736 0.300 1 139 17 17 TYR CD2 C 133.736 0.300 1 140 17 17 TYR CE1 C 119.012 0.300 1 141 17 17 TYR CE2 C 119.012 0.300 1 142 17 17 TYR N N 116.001 0.300 1 143 18 18 THR H H 8.806 0.030 1 144 18 18 THR HA H 5.880 0.030 1 145 18 18 THR HB H 4.488 0.030 1 146 18 18 THR HG2 H 1.320 0.030 1 147 18 18 THR C C 175.052 0.300 1 148 18 18 THR CA C 60.136 0.300 1 149 18 18 THR CB C 74.426 0.300 1 150 18 18 THR CG2 C 22.787 0.300 1 151 18 18 THR N N 110.997 0.300 1 152 19 19 SER H H 8.722 0.030 1 153 19 19 SER HA H 4.302 0.030 1 154 19 19 SER HB2 H 3.983 0.030 2 155 19 19 SER HB3 H 4.232 0.030 2 156 19 19 SER C C 174.645 0.300 1 157 19 19 SER CA C 60.100 0.300 1 158 19 19 SER CB C 62.485 0.300 1 159 19 19 SER N N 111.146 0.300 1 160 20 20 ARG H H 7.720 0.030 1 161 20 20 ARG HA H 4.541 0.030 1 162 20 20 ARG HB2 H 1.933 0.030 2 163 20 20 ARG HB3 H 1.592 0.030 2 164 20 20 ARG HD2 H 3.202 0.030 1 165 20 20 ARG HD3 H 3.202 0.030 1 166 20 20 ARG HG2 H 1.662 0.030 2 167 20 20 ARG HG3 H 1.629 0.030 2 168 20 20 ARG C C 175.386 0.300 1 169 20 20 ARG CA C 55.953 0.300 1 170 20 20 ARG CB C 31.847 0.300 1 171 20 20 ARG CD C 43.134 0.300 1 172 20 20 ARG CG C 27.324 0.300 1 173 20 20 ARG N N 118.215 0.300 1 174 21 21 ASP H H 7.517 0.030 1 175 21 21 ASP HA H 4.699 0.030 1 176 21 21 ASP HB2 H 2.842 0.030 2 177 21 21 ASP HB3 H 2.546 0.030 2 178 21 21 ASP C C 175.535 0.300 1 179 21 21 ASP CA C 53.695 0.300 1 180 21 21 ASP CB C 42.005 0.300 1 181 21 21 ASP N N 120.452 0.300 1 182 22 22 ASN H H 8.709 0.030 1 183 22 22 ASN HA H 4.541 0.030 1 184 22 22 ASN HB2 H 2.746 0.030 1 185 22 22 ASN HB3 H 2.746 0.030 1 186 22 22 ASN HD21 H 7.318 0.030 2 187 22 22 ASN HD22 H 6.678 0.030 2 188 22 22 ASN C C 173.944 0.300 1 189 22 22 ASN CA C 53.579 0.300 1 190 22 22 ASN CB C 37.608 0.300 1 191 22 22 ASN N N 125.309 0.300 1 192 22 22 ASN ND2 N 109.920 0.300 1 193 23 23 LEU H H 7.923 0.030 1 194 23 23 LEU HA H 4.237 0.030 1 195 23 23 LEU HB2 H 1.551 0.030 2 196 23 23 LEU HB3 H 1.642 0.030 2 197 23 23 LEU HD1 H 0.856 0.030 1 198 23 23 LEU HD2 H 0.921 0.030 1 199 23 23 LEU HG H 1.476 0.030 1 200 23 23 LEU C C 176.191 0.300 1 201 23 23 LEU CA C 54.594 0.300 1 202 23 23 LEU CB C 41.951 0.300 1 203 23 23 LEU CD1 C 24.982 0.300 2 204 23 23 LEU CD2 C 24.100 0.300 2 205 23 23 LEU CG C 26.642 0.300 1 206 23 23 LEU N N 121.760 0.300 1 207 24 24 ARG H H 8.562 0.030 1 208 24 24 ARG HA H 4.383 0.030 1 209 24 24 ARG HB2 H 1.585 0.030 2 210 24 24 ARG HB3 H 1.752 0.030 2 211 24 24 ARG HD2 H 3.066 0.030 2 212 24 24 ARG HD3 H 3.329 0.030 2 213 24 24 ARG HE H 7.427 0.030 1 214 24 24 ARG HG2 H 1.583 0.030 2 215 24 24 ARG HG3 H 1.532 0.030 2 216 24 24 ARG C C 176.372 0.300 1 217 24 24 ARG CA C 57.524 0.300 1 218 24 24 ARG CB C 30.920 0.300 1 219 24 24 ARG CD C 44.267 0.300 1 220 24 24 ARG CG C 30.805 0.300 1 221 24 24 ARG N N 127.409 0.300 1 222 24 24 ARG NE N 85.944 0.300 1 223 25 25 LYS H H 8.715 0.030 1 224 25 25 LYS HA H 4.531 0.030 1 225 25 25 LYS HB2 H 1.312 0.030 2 226 25 25 LYS HB3 H 1.733 0.030 2 227 25 25 LYS HD2 H 1.522 0.030 2 228 25 25 LYS HD3 H 1.671 0.030 2 229 25 25 LYS HE2 H 3.011 0.030 1 230 25 25 LYS HE3 H 3.011 0.030 1 231 25 25 LYS HG2 H 1.302 0.030 2 232 25 25 LYS HG3 H 1.462 0.030 2 233 25 25 LYS C C 174.182 0.300 1 234 25 25 LYS CA C 54.806 0.300 1 235 25 25 LYS CB C 38.097 0.300 1 236 25 25 LYS CD C 29.670 0.300 1 237 25 25 LYS CE C 42.456 0.300 1 238 25 25 LYS CG C 24.857 0.300 1 239 25 25 LYS N N 123.811 0.300 1 240 26 26 ARG H H 8.373 0.030 1 241 26 26 ARG HA H 5.161 0.030 1 242 26 26 ARG HB2 H 1.792 0.030 2 243 26 26 ARG HB3 H 1.663 0.030 2 244 26 26 ARG HD2 H 2.941 0.030 1 245 26 26 ARG HD3 H 2.941 0.030 1 246 26 26 ARG HG2 H 1.673 0.030 2 247 26 26 ARG HG3 H 1.576 0.030 2 248 26 26 ARG C C 174.289 0.300 1 249 26 26 ARG CA C 54.911 0.300 1 250 26 26 ARG CB C 32.880 0.300 1 251 26 26 ARG CD C 43.198 0.300 1 252 26 26 ARG CG C 28.558 0.300 1 253 26 26 ARG N N 121.842 0.300 1 254 27 27 HIS H H 8.911 0.030 1 255 27 27 HIS HA H 5.010 0.030 1 256 27 27 HIS HB2 H 3.636 0.030 2 257 27 27 HIS HB3 H 2.920 0.030 2 258 27 27 HIS HD2 H 6.621 0.030 1 259 27 27 HIS HE1 H 7.566 0.030 1 260 27 27 HIS C C 171.853 0.300 1 261 27 27 HIS CA C 57.704 0.300 1 262 27 27 HIS CB C 34.982 0.300 1 263 27 27 HIS CD2 C 117.182 0.300 1 264 27 27 HIS CE1 C 139.080 0.300 1 265 27 27 HIS N N 121.454 0.300 1 266 28 28 TYR H H 9.034 0.030 1 267 28 28 TYR HA H 3.999 0.030 1 268 28 28 TYR HB2 H 2.404 0.030 2 269 28 28 TYR HB3 H 0.812 0.030 2 270 28 28 TYR HD1 H 5.538 0.030 1 271 28 28 TYR HD2 H 5.538 0.030 1 272 28 28 TYR HE1 H 6.491 0.030 1 273 28 28 TYR HE2 H 6.491 0.030 1 274 28 28 TYR C C 174.630 0.300 1 275 28 28 TYR CA C 58.741 0.300 1 276 28 28 TYR CB C 37.912 0.300 1 277 28 28 TYR CD1 C 132.315 0.300 1 278 28 28 TYR CD2 C 132.315 0.300 1 279 28 28 TYR CE1 C 117.529 0.300 1 280 28 28 TYR CE2 C 117.529 0.300 1 281 28 28 TYR N N 126.302 0.300 1 282 29 29 TRP H H 9.137 0.030 1 283 29 29 TRP HA H 5.071 0.030 1 284 29 29 TRP HB2 H 2.778 0.030 2 285 29 29 TRP HB3 H 2.192 0.030 2 286 29 29 TRP HD1 H 6.970 0.030 1 287 29 29 TRP HE1 H 10.738 0.030 1 288 29 29 TRP HE3 H 6.171 0.030 1 289 29 29 TRP HH2 H 6.464 0.030 1 290 29 29 TRP HZ2 H 6.653 0.030 1 291 29 29 TRP HZ3 H 6.403 0.030 1 292 29 29 TRP C C 175.562 0.300 1 293 29 29 TRP CA C 57.436 0.300 1 294 29 29 TRP CB C 31.147 0.300 1 295 29 29 TRP CD1 C 122.347 0.300 1 296 29 29 TRP CE3 C 121.355 0.300 1 297 29 29 TRP CH2 C 123.974 0.300 1 298 29 29 TRP CZ2 C 111.560 0.300 1 299 29 29 TRP CZ3 C 119.019 0.300 1 300 29 29 TRP N N 132.259 0.300 1 301 29 29 TRP NE1 N 128.782 0.300 1 302 30 30 ARG H H 9.182 0.030 1 303 30 30 ARG HA H 5.373 0.030 1 304 30 30 ARG HB2 H 2.022 0.030 1 305 30 30 ARG HB3 H 2.022 0.030 1 306 30 30 ARG HD2 H 3.242 0.030 2 307 30 30 ARG HD3 H 3.167 0.030 2 308 30 30 ARG HE H 7.526 0.030 1 309 30 30 ARG HG2 H 1.858 0.030 2 310 30 30 ARG HG3 H 1.662 0.030 2 311 30 30 ARG C C 174.643 0.300 1 312 30 30 ARG CA C 56.217 0.300 1 313 30 30 ARG CB C 34.479 0.300 1 314 30 30 ARG CD C 43.938 0.300 1 315 30 30 ARG CG C 29.051 0.300 1 316 30 30 ARG N N 117.380 0.300 1 317 30 30 ARG NE N 85.017 0.300 1 318 31 31 LEU H H 9.532 0.030 1 319 31 31 LEU HA H 5.314 0.030 1 320 31 31 LEU HB2 H 2.051 0.030 2 321 31 31 LEU HB3 H 1.735 0.030 2 322 31 31 LEU HD1 H 1.043 0.030 1 323 31 31 LEU HD2 H 0.778 0.030 1 324 31 31 LEU HG H 1.652 0.030 1 325 31 31 LEU C C 174.533 0.300 1 326 31 31 LEU CA C 53.721 0.300 1 327 31 31 LEU CB C 46.683 0.300 1 328 31 31 LEU CD1 C 24.243 0.300 2 329 31 31 LEU CD2 C 27.324 0.300 2 330 31 31 LEU CG C 27.528 0.300 1 331 31 31 LEU N N 129.001 0.300 1 332 32 32 ASP H H 8.547 0.030 1 333 32 32 ASP HA H 5.015 0.030 1 334 32 32 ASP HB2 H 3.243 0.030 2 335 32 32 ASP HB3 H 2.723 0.030 2 336 32 32 ASP C C 174.010 0.300 1 337 32 32 ASP CA C 53.024 0.300 1 338 32 32 ASP CB C 42.540 0.300 1 339 32 32 ASP N N 129.026 0.300 1 340 33 33 SER H H 7.840 0.030 1 341 33 33 SER HA H 4.231 0.030 1 342 33 33 SER HB2 H 4.002 0.030 2 343 33 33 SER HB3 H 3.932 0.030 2 344 33 33 SER C C 174.567 0.300 1 345 33 33 SER CA C 60.453 0.300 1 346 33 33 SER CB C 63.653 0.300 1 347 33 33 SER N N 107.919 0.300 1 348 34 34 LYS H H 9.024 0.030 1 349 34 34 LYS HA H 4.594 0.030 1 350 34 34 LYS HB2 H 1.860 0.030 1 351 34 34 LYS HB3 H 1.860 0.030 1 352 34 34 LYS HD2 H 1.649 0.030 1 353 34 34 LYS HD3 H 1.649 0.030 1 354 34 34 LYS HE2 H 2.947 0.030 1 355 34 34 LYS HE3 H 2.947 0.030 1 356 34 34 LYS HG2 H 1.442 0.030 2 357 34 34 LYS HG3 H 1.382 0.030 2 358 34 34 LYS C C 177.281 0.300 1 359 34 34 LYS CA C 57.100 0.300 1 360 34 34 LYS CB C 35.796 0.300 1 361 34 34 LYS CD C 28.992 0.300 1 362 34 34 LYS CE C 42.129 0.300 1 363 34 34 LYS CG C 24.728 0.300 1 364 34 34 LYS N N 119.349 0.300 1 365 35 35 CYS H H 9.186 0.030 1 366 35 35 CYS HA H 4.777 0.030 1 367 35 35 CYS HB2 H 2.812 0.030 2 368 35 35 CYS HB3 H 2.492 0.030 2 369 35 35 CYS C C 171.415 0.300 1 370 35 35 CYS CA C 57.912 0.300 1 371 35 35 CYS CB C 31.478 0.300 1 372 35 35 CYS N N 120.881 0.300 1 373 36 36 LEU H H 8.221 0.030 1 374 36 36 LEU HA H 4.954 0.030 1 375 36 36 LEU HB2 H 1.363 0.030 2 376 36 36 LEU HB3 H 1.094 0.030 2 377 36 36 LEU HD1 H 0.686 0.030 1 378 36 36 LEU HD2 H 0.409 0.030 1 379 36 36 LEU HG H 0.876 0.030 1 380 36 36 LEU C C 174.455 0.300 1 381 36 36 LEU CA C 53.534 0.300 1 382 36 36 LEU CB C 44.151 0.300 1 383 36 36 LEU CD1 C 23.802 0.300 2 384 36 36 LEU CD2 C 25.383 0.300 2 385 36 36 LEU CG C 26.735 0.300 1 386 36 36 LEU N N 125.851 0.300 1 387 37 37 THR H H 9.104 0.030 1 388 37 37 THR HA H 4.349 0.030 1 389 37 37 THR HB H 3.654 0.030 1 390 37 37 THR HG2 H 0.158 0.030 1 391 37 37 THR C C 171.351 0.300 1 392 37 37 THR CA C 62.112 0.300 1 393 37 37 THR CB C 69.370 0.300 1 394 37 37 THR CG2 C 22.807 0.300 1 395 37 37 THR N N 121.626 0.300 1 396 38 38 LEU H H 8.389 0.030 1 397 38 38 LEU HA H 4.321 0.030 1 398 38 38 LEU HB2 H 1.135 0.030 2 399 38 38 LEU HB3 H 1.056 0.030 2 400 38 38 LEU HD1 H -0.645 0.030 1 401 38 38 LEU HD2 H -0.029 0.030 1 402 38 38 LEU HG H 0.207 0.030 1 403 38 38 LEU C C 175.403 0.300 1 404 38 38 LEU CA C 54.841 0.300 1 405 38 38 LEU CB C 42.289 0.300 1 406 38 38 LEU CD1 C 21.649 0.300 2 407 38 38 LEU CD2 C 26.090 0.300 2 408 38 38 LEU CG C 29.410 0.300 1 409 38 38 LEU N N 128.080 0.300 1 410 39 39 PHE H H 9.531 0.030 1 411 39 39 PHE HA H 4.870 0.030 1 412 39 39 PHE HB2 H 3.642 0.030 2 413 39 39 PHE HB3 H 3.629 0.030 2 414 39 39 PHE HD1 H 7.351 0.030 1 415 39 39 PHE HD2 H 7.351 0.030 1 416 39 39 PHE HE1 H 7.272 0.030 1 417 39 39 PHE HE2 H 7.272 0.030 1 418 39 39 PHE C C 176.521 0.300 1 419 39 39 PHE CA C 58.406 0.300 1 420 39 39 PHE CB C 41.451 0.300 1 421 39 39 PHE CD1 C 132.319 0.300 1 422 39 39 PHE CD2 C 132.319 0.300 1 423 39 39 PHE CE1 C 131.523 0.300 1 424 39 39 PHE CE2 C 131.523 0.300 1 425 39 39 PHE N N 122.009 0.300 1 426 40 40 GLN H H 9.080 0.030 1 427 40 40 GLN HA H 4.538 0.030 1 428 40 40 GLN HB2 H 2.345 0.030 2 429 40 40 GLN HB3 H 2.127 0.030 2 430 40 40 GLN HE21 H 6.962 0.030 2 431 40 40 GLN HE22 H 7.572 0.030 2 432 40 40 GLN HG2 H 2.489 0.030 2 433 40 40 GLN HG3 H 2.545 0.030 2 434 40 40 GLN C C 175.730 0.300 1 435 40 40 GLN CA C 58.830 0.300 1 436 40 40 GLN CB C 29.127 0.300 1 437 40 40 GLN CG C 33.857 0.300 1 438 40 40 GLN N N 119.753 0.300 1 439 40 40 GLN NE2 N 110.942 0.300 1 440 41 41 ASN H H 8.264 0.030 1 441 41 41 ASN HA H 4.896 0.030 1 442 41 41 ASN HB2 H 3.325 0.030 2 443 41 41 ASN HB3 H 3.241 0.030 2 444 41 41 ASN HD21 H 7.137 0.030 2 445 41 41 ASN HD22 H 7.862 0.030 2 446 41 41 ASN C C 173.408 0.300 1 447 41 41 ASN CA C 52.106 0.300 1 448 41 41 ASN CB C 39.702 0.300 1 449 41 41 ASN N N 111.553 0.300 1 450 41 41 ASN ND2 N 114.916 0.300 1 451 42 42 GLU H H 9.143 0.030 1 452 42 42 GLU HA H 2.758 0.030 1 453 42 42 GLU HB2 H 1.365 0.030 2 454 42 42 GLU HB3 H 1.399 0.030 2 455 42 42 GLU HG2 H 1.762 0.030 2 456 42 42 GLU HG3 H 1.843 0.030 2 457 42 42 GLU C C 175.978 0.300 1 458 42 42 GLU CA C 57.700 0.300 1 459 42 42 GLU CB C 28.459 0.300 1 460 42 42 GLU CG C 35.691 0.300 1 461 42 42 GLU N N 117.716 0.300 1 462 43 43 SER H H 7.900 0.030 1 463 43 43 SER HA H 4.317 0.030 1 464 43 43 SER HB2 H 3.802 0.030 2 465 43 43 SER HB3 H 3.740 0.030 2 466 43 43 SER C C 175.429 0.300 1 467 43 43 SER CA C 58.441 0.300 1 468 43 43 SER CB C 64.335 0.300 1 469 43 43 SER N N 113.914 0.300 1 470 44 44 GLY H H 7.969 0.030 1 471 44 44 GLY HA2 H 3.432 0.030 2 472 44 44 GLY HA3 H 3.772 0.030 2 473 44 44 GLY C C 174.331 0.300 1 474 44 44 GLY CA C 45.259 0.300 1 475 44 44 GLY N N 109.647 0.300 1 476 45 45 SER HA H 4.514 0.030 1 477 45 45 SER HB2 H 4.014 0.030 2 478 45 45 SER HB3 H 3.882 0.030 2 479 45 45 SER C C 173.747 0.300 1 480 45 45 SER CA C 58.743 0.300 1 481 45 45 SER CB C 64.171 0.300 1 482 46 46 LYS H H 8.015 0.030 1 483 46 46 LYS HA H 4.517 0.030 1 484 46 46 LYS HB2 H 1.788 0.030 1 485 46 46 LYS HB3 H 1.788 0.030 1 486 46 46 LYS HG2 H 1.362 0.030 1 487 46 46 LYS HG3 H 1.362 0.030 1 488 46 46 LYS C C 174.150 0.300 1 489 46 46 LYS CA C 56.193 0.300 1 490 46 46 LYS CB C 33.081 0.300 1 491 46 46 LYS CD C 29.216 0.300 1 492 46 46 LYS CE C 42.293 0.300 1 493 46 46 LYS CG C 24.939 0.300 1 494 46 46 LYS N N 122.183 0.300 1 495 47 47 TYR H H 8.397 0.030 1 496 47 47 TYR HA H 4.646 0.030 1 497 47 47 TYR HB2 H 2.182 0.030 2 498 47 47 TYR HB3 H 2.571 0.030 2 499 47 47 TYR HD1 H 6.631 0.030 1 500 47 47 TYR HD2 H 6.631 0.030 1 501 47 47 TYR HE1 H 6.683 0.030 1 502 47 47 TYR HE2 H 6.683 0.030 1 503 47 47 TYR CA C 56.357 0.300 1 504 47 47 TYR CB C 39.743 0.300 1 505 47 47 TYR CD1 C 133.265 0.300 1 506 47 47 TYR CD2 C 133.265 0.300 1 507 47 47 TYR CE1 C 118.379 0.300 1 508 47 47 TYR CE2 C 118.379 0.300 1 509 47 47 TYR N N 123.375 0.300 1 510 48 48 TYR H H 9.065 0.030 1 511 48 48 TYR HA H 4.659 0.030 1 512 48 48 TYR HB2 H 3.052 0.030 2 513 48 48 TYR HB3 H 2.203 0.030 2 514 48 48 TYR HD1 H 6.714 0.030 1 515 48 48 TYR HD2 H 6.714 0.030 1 516 48 48 TYR HE1 H 6.762 0.030 1 517 48 48 TYR HE2 H 6.762 0.030 1 518 48 48 TYR C C 174.784 0.300 1 519 48 48 TYR CA C 58.210 0.300 1 520 48 48 TYR CB C 39.826 0.300 1 521 48 48 TYR CD1 C 133.552 0.300 1 522 48 48 TYR CD2 C 133.552 0.300 1 523 48 48 TYR CE1 C 117.430 0.300 1 524 48 48 TYR CE2 C 117.430 0.300 1 525 48 48 TYR N N 122.419 0.300 1 526 49 49 LYS H H 7.179 0.030 1 527 49 49 LYS HA H 4.193 0.030 1 528 49 49 LYS HB2 H 1.123 0.030 1 529 49 49 LYS HB3 H 1.123 0.030 1 530 49 49 LYS HD2 H 1.364 0.030 2 531 49 49 LYS HD3 H 1.495 0.030 2 532 49 49 LYS HE2 H 2.719 0.030 2 533 49 49 LYS HE3 H 2.799 0.030 2 534 49 49 LYS HG2 H 0.937 0.030 2 535 49 49 LYS HG3 H 0.832 0.030 2 536 49 49 LYS C C 172.529 0.300 1 537 49 49 LYS CA C 55.247 0.300 1 538 49 49 LYS CB C 37.029 0.300 1 539 49 49 LYS CD C 28.558 0.300 1 540 49 49 LYS CE C 41.718 0.300 1 541 49 49 LYS CG C 24.315 0.300 1 542 49 49 LYS N N 116.078 0.300 1 543 50 50 GLU H H 8.408 0.030 1 544 50 50 GLU HA H 4.424 0.030 1 545 50 50 GLU HB2 H 1.558 0.030 2 546 50 50 GLU HB3 H 1.345 0.030 2 547 50 50 GLU HG2 H 1.624 0.030 2 548 50 50 GLU HG3 H 1.568 0.030 2 549 50 50 GLU C C 174.485 0.300 1 550 50 50 GLU CA C 55.009 0.300 1 551 50 50 GLU CB C 32.800 0.300 1 552 50 50 GLU CG C 36.876 0.300 1 553 50 50 GLU N N 124.035 0.300 1 554 51 51 ILE H H 9.151 0.030 1 555 51 51 ILE HA H 4.219 0.030 1 556 51 51 ILE HB H 1.529 0.030 1 557 51 51 ILE HD1 H -0.364 0.030 1 558 51 51 ILE HG12 H 0.803 0.030 2 559 51 51 ILE HG13 H 0.429 0.030 2 560 51 51 ILE HG2 H 0.441 0.030 1 561 51 51 ILE C C 172.672 0.300 1 562 51 51 ILE CA C 58.304 0.300 1 563 51 51 ILE CB C 39.705 0.300 1 564 51 51 ILE CD1 C 12.797 0.300 1 565 51 51 ILE CG1 C 26.493 0.300 1 566 51 51 ILE CG2 C 16.340 0.300 1 567 51 51 ILE N N 126.557 0.300 1 568 52 52 PRO HA H 4.497 0.030 1 569 52 52 PRO HB2 H 2.372 0.030 2 570 52 52 PRO HB3 H 1.820 0.030 2 571 52 52 PRO HD2 H 3.590 0.030 2 572 52 52 PRO HD3 H 3.540 0.030 2 573 52 52 PRO HG2 H 2.032 0.030 2 574 52 52 PRO HG3 H 1.834 0.030 2 575 52 52 PRO C C 178.317 0.300 1 576 52 52 PRO CA C 62.818 0.300 1 577 52 52 PRO CB C 31.873 0.300 1 578 52 52 PRO CD C 51.094 0.300 1 579 52 52 PRO CG C 28.102 0.300 1 580 53 53 LEU H H 8.519 0.030 1 581 53 53 LEU HA H 3.817 0.030 1 582 53 53 LEU HB2 H 1.614 0.030 2 583 53 53 LEU HB3 H 1.422 0.030 2 584 53 53 LEU HD1 H 0.768 0.030 1 585 53 53 LEU HD2 H 0.682 0.030 1 586 53 53 LEU HG H 1.289 0.030 1 587 53 53 LEU C C 179.381 0.300 1 588 53 53 LEU CA C 58.141 0.300 1 589 53 53 LEU CB C 40.151 0.300 1 590 53 53 LEU CD1 C 25.691 0.300 2 591 53 53 LEU CD2 C 21.814 0.300 2 592 53 53 LEU CG C 27.571 0.300 1 593 53 53 LEU N N 124.542 0.300 1 594 54 54 SER H H 8.189 0.030 1 595 54 54 SER HA H 4.120 0.030 1 596 54 54 SER HB2 H 3.805 0.030 2 597 54 54 SER HB3 H 4.002 0.030 2 598 54 54 SER C C 175.480 0.300 1 599 54 54 SER CA C 60.012 0.300 1 600 54 54 SER CB C 62.533 0.300 1 601 54 54 SER N N 111.051 0.300 1 602 55 55 GLU H H 7.790 0.030 1 603 55 55 GLU HA H 4.271 0.030 1 604 55 55 GLU HB2 H 2.253 0.030 2 605 55 55 GLU HB3 H 1.983 0.030 2 606 55 55 GLU HG2 H 2.279 0.030 1 607 55 55 GLU HG3 H 2.279 0.030 1 608 55 55 GLU C C 176.530 0.300 1 609 55 55 GLU CA C 56.359 0.300 1 610 55 55 GLU CB C 30.310 0.300 1 611 55 55 GLU CG C 37.194 0.300 1 612 55 55 GLU N N 120.174 0.300 1 613 56 56 ILE H H 7.484 0.030 1 614 56 56 ILE HA H 3.690 0.030 1 615 56 56 ILE HB H 2.065 0.030 1 616 56 56 ILE HD1 H 0.717 0.030 1 617 56 56 ILE HG12 H 1.752 0.030 2 618 56 56 ILE HG13 H 0.396 0.030 2 619 56 56 ILE HG2 H 0.708 0.030 1 620 56 56 ILE C C 175.045 0.300 1 621 56 56 ILE CA C 63.175 0.300 1 622 56 56 ILE CB C 37.140 0.300 1 623 56 56 ILE CD1 C 13.574 0.300 1 624 56 56 ILE CG1 C 27.222 0.300 1 625 56 56 ILE CG2 C 17.618 0.300 1 626 56 56 ILE N N 119.465 0.300 1 627 57 57 LEU H H 8.985 0.030 1 628 57 57 LEU HA H 4.251 0.030 1 629 57 57 LEU HB2 H 1.472 0.030 2 630 57 57 LEU HB3 H 1.502 0.030 2 631 57 57 LEU HD1 H 0.813 0.030 1 632 57 57 LEU HD2 H 0.833 0.030 1 633 57 57 LEU HG H 1.643 0.030 1 634 57 57 LEU C C 178.098 0.300 1 635 57 57 LEU CA C 56.482 0.300 1 636 57 57 LEU CB C 42.540 0.300 1 637 57 57 LEU CD1 C 25.350 0.300 2 638 57 57 LEU CD2 C 22.414 0.300 2 639 57 57 LEU CG C 27.489 0.300 1 640 57 57 LEU N N 128.672 0.300 1 641 58 58 ARG H H 7.503 0.030 1 642 58 58 ARG HA H 4.482 0.030 1 643 58 58 ARG HB2 H 1.974 0.030 2 644 58 58 ARG HB3 H 1.767 0.030 2 645 58 58 ARG HD2 H 3.134 0.030 2 646 58 58 ARG HD3 H 3.198 0.030 2 647 58 58 ARG HG2 H 1.372 0.030 1 648 58 58 ARG HG3 H 1.372 0.030 1 649 58 58 ARG C C 172.706 0.300 1 650 58 58 ARG CA C 55.247 0.300 1 651 58 58 ARG CB C 32.718 0.300 1 652 58 58 ARG CD C 43.198 0.300 1 653 58 58 ARG CG C 26.502 0.300 1 654 58 58 ARG N N 112.523 0.300 1 655 59 59 ILE H H 8.496 0.030 1 656 59 59 ILE HA H 5.176 0.030 1 657 59 59 ILE HB H 1.834 0.030 1 658 59 59 ILE HD1 H 0.925 0.030 1 659 59 59 ILE HG12 H 1.461 0.030 2 660 59 59 ILE HG13 H 1.291 0.030 2 661 59 59 ILE HG2 H 0.981 0.030 1 662 59 59 ILE C C 175.614 0.300 1 663 59 59 ILE CA C 57.934 0.300 1 664 59 59 ILE CB C 37.991 0.300 1 665 59 59 ILE CD1 C 13.095 0.300 1 666 59 59 ILE CG1 C 27.358 0.300 1 667 59 59 ILE CG2 C 17.718 0.300 1 668 59 59 ILE N N 121.392 0.300 1 669 60 60 SER H H 9.015 0.030 1 670 60 60 SER HA H 5.100 0.030 1 671 60 60 SER HB2 H 3.722 0.030 2 672 60 60 SER HB3 H 3.542 0.030 2 673 60 60 SER C C 174.121 0.300 1 674 60 60 SER CA C 56.165 0.300 1 675 60 60 SER CB C 66.396 0.300 1 676 60 60 SER N N 119.465 0.300 1 677 61 61 SER H H 8.413 0.030 1 678 61 61 SER HA H 4.947 0.030 1 679 61 61 SER HB2 H 4.047 0.030 2 680 61 61 SER HB3 H 3.928 0.030 2 681 61 61 SER C C 171.824 0.300 1 682 61 61 SER CA C 58.123 0.300 1 683 61 61 SER CB C 61.848 0.300 1 684 61 61 SER N N 121.171 0.300 1 685 62 62 PRO HA H 4.241 0.030 1 686 62 62 PRO HB2 H 1.602 0.030 2 687 62 62 PRO HB3 H 1.313 0.030 2 688 62 62 PRO HD2 H 3.635 0.030 2 689 62 62 PRO HD3 H 3.946 0.030 2 690 62 62 PRO HG2 H 1.252 0.030 2 691 62 62 PRO HG3 H 2.023 0.030 2 692 62 62 PRO C C 176.459 0.300 1 693 62 62 PRO CA C 64.104 0.300 1 694 62 62 PRO CB C 31.726 0.300 1 695 62 62 PRO CD C 50.312 0.300 1 696 62 62 PRO CG C 28.998 0.300 1 697 63 63 ARG H H 9.162 0.030 1 698 63 63 ARG HA H 4.383 0.030 1 699 63 63 ARG HB2 H 1.871 0.030 1 700 63 63 ARG HB3 H 1.871 0.030 1 701 63 63 ARG HD2 H 3.208 0.030 1 702 63 63 ARG HD3 H 3.208 0.030 1 703 63 63 ARG HG2 H 1.632 0.030 1 704 63 63 ARG HG3 H 1.632 0.030 1 705 63 63 ARG C C 175.092 0.300 1 706 63 63 ARG CA C 56.359 0.300 1 707 63 63 ARG CB C 32.440 0.300 1 708 63 63 ARG CD C 43.260 0.300 1 709 63 63 ARG CG C 26.419 0.300 1 710 63 63 ARG N N 125.059 0.300 1 711 64 64 ASP H H 8.386 0.030 1 712 64 64 ASP HA H 4.686 0.030 1 713 64 64 ASP HB2 H 2.882 0.030 2 714 64 64 ASP HB3 H 2.563 0.030 2 715 64 64 ASP C C 175.641 0.300 1 716 64 64 ASP CA C 53.606 0.300 1 717 64 64 ASP CB C 41.676 0.300 1 718 64 64 ASP N N 120.339 0.300 1 719 65 65 PHE H H 8.723 0.030 1 720 65 65 PHE HA H 4.831 0.030 1 721 65 65 PHE HB2 H 3.414 0.030 2 722 65 65 PHE HB3 H 2.815 0.030 2 723 65 65 PHE HD1 H 7.272 0.030 1 724 65 65 PHE HD2 H 7.272 0.030 1 725 65 65 PHE HE1 H 7.130 0.030 1 726 65 65 PHE HE2 H 7.130 0.030 1 727 65 65 PHE HZ H 7.072 0.030 1 728 65 65 PHE C C 176.975 0.300 1 729 65 65 PHE CA C 57.418 0.300 1 730 65 65 PHE CB C 39.003 0.300 1 731 65 65 PHE CD1 C 131.951 0.300 1 732 65 65 PHE CD2 C 131.951 0.300 1 733 65 65 PHE CE1 C 131.085 0.300 1 734 65 65 PHE CE2 C 131.085 0.300 1 735 65 65 PHE CZ C 129.493 0.300 1 736 65 65 PHE N N 122.403 0.300 1 737 66 66 THR H H 8.495 0.030 1 738 66 66 THR HA H 4.169 0.030 1 739 66 66 THR HB H 4.175 0.030 1 740 66 66 THR HG2 H 1.229 0.030 1 741 66 66 THR C C 175.192 0.300 1 742 66 66 THR CA C 63.808 0.300 1 743 66 66 THR CB C 69.948 0.300 1 744 66 66 THR CG2 C 21.814 0.300 1 745 66 66 THR N N 113.660 0.300 1 746 67 67 ASN H H 8.334 0.030 1 747 67 67 ASN HA H 4.699 0.030 1 748 67 67 ASN HB2 H 2.713 0.030 2 749 67 67 ASN HB3 H 2.526 0.030 2 750 67 67 ASN HD21 H 7.176 0.030 2 751 67 67 ASN HD22 H 6.911 0.030 2 752 67 67 ASN C C 174.226 0.300 1 753 67 67 ASN CA C 53.448 0.300 1 754 67 67 ASN CB C 39.044 0.300 1 755 67 67 ASN N N 118.012 0.300 1 756 67 67 ASN ND2 N 113.953 0.300 1 757 68 68 ILE H H 7.298 0.030 1 758 68 68 ILE HA H 4.034 0.030 1 759 68 68 ILE HB H 1.742 0.030 1 760 68 68 ILE HD1 H 0.799 0.030 1 761 68 68 ILE HG12 H 1.341 0.030 2 762 68 68 ILE HG13 H 1.178 0.030 2 763 68 68 ILE HG2 H 0.739 0.030 1 764 68 68 ILE C C 175.551 0.300 1 765 68 68 ILE CA C 60.766 0.300 1 766 68 68 ILE CB C 39.250 0.300 1 767 68 68 ILE CD1 C 13.665 0.300 1 768 68 68 ILE CG1 C 27.653 0.300 1 769 68 68 ILE CG2 C 17.044 0.300 1 770 68 68 ILE N N 118.112 0.300 1 771 69 69 SER H H 8.138 0.030 1 772 69 69 SER HA H 4.249 0.030 1 773 69 69 SER HB2 H 3.758 0.030 1 774 69 69 SER HB3 H 3.758 0.030 1 775 69 69 SER C C 175.146 0.300 1 776 69 69 SER CA C 58.494 0.300 1 777 69 69 SER CB C 63.587 0.300 1 778 69 69 SER N N 119.974 0.300 1 779 70 70 GLN H H 8.609 0.030 1 780 70 70 GLN HA H 4.102 0.030 1 781 70 70 GLN HB2 H 2.025 0.030 1 782 70 70 GLN HB3 H 2.025 0.030 1 783 70 70 GLN HE21 H 6.827 0.030 2 784 70 70 GLN HE22 H 7.505 0.030 2 785 70 70 GLN HG2 H 2.364 0.030 1 786 70 70 GLN HG3 H 2.364 0.030 1 787 70 70 GLN C C 176.975 0.300 1 788 70 70 GLN CA C 57.418 0.300 1 789 70 70 GLN CB C 28.434 0.300 1 790 70 70 GLN CG C 33.563 0.300 1 791 70 70 GLN N N 123.824 0.300 1 792 70 70 GLN NE2 N 112.419 0.300 1 793 71 71 GLY H H 8.744 0.030 1 794 71 71 GLY HA2 H 4.093 0.030 2 795 71 71 GLY HA3 H 3.748 0.030 2 796 71 71 GLY C C 174.368 0.300 1 797 71 71 GLY CA C 45.241 0.300 1 798 71 71 GLY N N 112.246 0.300 1 799 72 72 SER H H 7.713 0.030 1 800 72 72 SER HA H 4.411 0.030 1 801 72 72 SER HB2 H 3.676 0.030 2 802 72 72 SER HB3 H 3.739 0.030 2 803 72 72 SER CA C 58.167 0.300 1 804 72 72 SER CB C 64.335 0.300 1 805 72 72 SER N N 115.662 0.300 1 806 73 73 ASN H H 8.978 0.030 1 807 73 73 ASN HA H 4.978 0.030 1 808 73 73 ASN HB2 H 2.782 0.030 2 809 73 73 ASN HB3 H 2.628 0.030 2 810 73 73 ASN HD21 H 8.893 0.030 2 811 73 73 ASN HD22 H 7.162 0.030 2 812 73 73 ASN CA C 51.340 0.300 1 813 73 73 ASN CB C 37.820 0.300 1 814 73 73 ASN N N 122.221 0.300 1 815 73 73 ASN ND2 N 114.693 0.300 1 816 74 74 PRO HA H 4.712 0.030 1 817 74 74 PRO HB2 H 2.169 0.030 2 818 74 74 PRO HB3 H 2.322 0.030 2 819 74 74 PRO HD2 H 3.898 0.030 2 820 74 74 PRO HD3 H 4.019 0.030 2 821 74 74 PRO HG2 H 2.103 0.030 2 822 74 74 PRO HG3 H 2.045 0.030 2 823 74 74 PRO C C 175.557 0.300 1 824 74 74 PRO CA C 62.994 0.300 1 825 74 74 PRO CB C 33.035 0.300 1 826 74 74 PRO CD C 50.682 0.300 1 827 74 74 PRO CG C 27.324 0.300 1 828 75 75 HIS H H 8.045 0.030 1 829 75 75 HIS HA H 5.043 0.030 1 830 75 75 HIS HB2 H 2.963 0.030 2 831 75 75 HIS HB3 H 3.123 0.030 2 832 75 75 HIS HD2 H 6.862 0.030 1 833 75 75 HIS HE1 H 7.596 0.030 1 834 75 75 HIS C C 173.107 0.300 1 835 75 75 HIS CA C 55.000 0.300 1 836 75 75 HIS CB C 30.861 0.300 1 837 75 75 HIS CD2 C 116.624 0.300 1 838 75 75 HIS CE1 C 141.858 0.300 1 839 75 75 HIS N N 116.010 0.300 1 840 76 76 CYS H H 8.317 0.030 1 841 76 76 CYS HA H 4.567 0.030 1 842 76 76 CYS HB2 H 3.329 0.030 2 843 76 76 CYS HB3 H 2.881 0.030 2 844 76 76 CYS C C 174.329 0.300 1 845 76 76 CYS CA C 60.788 0.300 1 846 76 76 CYS CB C 31.371 0.300 1 847 76 76 CYS N N 112.891 0.300 1 848 77 77 PHE H H 8.423 0.030 1 849 77 77 PHE HA H 4.831 0.030 1 850 77 77 PHE HB2 H 3.540 0.030 2 851 77 77 PHE HB3 H 3.067 0.030 2 852 77 77 PHE HD1 H 7.070 0.030 1 853 77 77 PHE HD2 H 7.070 0.030 1 854 77 77 PHE HE1 H 7.032 0.030 1 855 77 77 PHE HE2 H 7.032 0.030 1 856 77 77 PHE HZ H 7.246 0.030 1 857 77 77 PHE C C 171.862 0.300 1 858 77 77 PHE CA C 57.383 0.300 1 859 77 77 PHE CB C 38.928 0.300 1 860 77 77 PHE CD1 C 133.206 0.300 1 861 77 77 PHE CD2 C 133.206 0.300 1 862 77 77 PHE CE1 C 128.936 0.300 1 863 77 77 PHE CE2 C 128.936 0.300 1 864 77 77 PHE CZ C 130.804 0.300 1 865 77 77 PHE N N 112.811 0.300 1 866 78 78 GLU H H 9.606 0.030 1 867 78 78 GLU HA H 5.433 0.030 1 868 78 78 GLU HB2 H 1.726 0.030 2 869 78 78 GLU HB3 H 1.560 0.030 2 870 78 78 GLU HG2 H 2.118 0.030 2 871 78 78 GLU HG3 H 2.044 0.030 2 872 78 78 GLU C C 175.781 0.300 1 873 78 78 GLU CA C 54.196 0.300 1 874 78 78 GLU CB C 31.949 0.300 1 875 78 78 GLU CG C 37.184 0.300 1 876 78 78 GLU N N 120.332 0.300 1 877 79 79 ILE H H 9.003 0.030 1 878 79 79 ILE HA H 4.475 0.030 1 879 79 79 ILE HB H 1.892 0.030 1 880 79 79 ILE HD1 H 0.725 0.030 1 881 79 79 ILE HG12 H 1.050 0.030 2 882 79 79 ILE HG13 H 1.842 0.030 2 883 79 79 ILE HG2 H 0.751 0.030 1 884 79 79 ILE C C 174.283 0.300 1 885 79 79 ILE CA C 61.177 0.300 1 886 79 79 ILE CB C 39.990 0.300 1 887 79 79 ILE CD1 C 13.671 0.300 1 888 79 79 ILE CG1 C 26.953 0.300 1 889 79 79 ILE CG2 C 18.234 0.300 1 890 79 79 ILE N N 121.057 0.300 1 891 80 80 ILE H H 8.702 0.030 1 892 80 80 ILE HA H 4.445 0.030 1 893 80 80 ILE HB H 1.978 0.030 1 894 80 80 ILE HD1 H 0.822 0.030 1 895 80 80 ILE HG12 H 1.390 0.030 2 896 80 80 ILE HG13 H 1.283 0.030 2 897 80 80 ILE HG2 H 0.917 0.030 1 898 80 80 ILE C C 175.535 0.300 1 899 80 80 ILE CA C 62.112 0.300 1 900 80 80 ILE CB C 38.186 0.300 1 901 80 80 ILE CD1 C 13.901 0.300 1 902 80 80 ILE CG1 C 29.351 0.300 1 903 80 80 ILE CG2 C 18.546 0.300 1 904 80 80 ILE N N 128.523 0.300 1 905 81 81 THR H H 8.128 0.030 1 906 81 81 THR HA H 5.184 0.030 1 907 81 81 THR HB H 4.710 0.030 1 908 81 81 THR HG2 H 1.222 0.030 1 909 81 81 THR C C 173.423 0.300 1 910 81 81 THR CA C 59.747 0.300 1 911 81 81 THR CB C 71.835 0.300 1 912 81 81 THR CG2 C 21.445 0.300 1 913 81 81 THR N N 117.982 0.300 1 914 82 82 ASP H H 9.548 0.030 1 915 82 82 ASP HA H 4.370 0.030 1 916 82 82 ASP HB2 H 2.765 0.030 2 917 82 82 ASP HB3 H 2.659 0.030 2 918 82 82 ASP C C 177.347 0.300 1 919 82 82 ASP CA C 57.470 0.300 1 920 82 82 ASP CB C 41.395 0.300 1 921 82 82 ASP N N 118.892 0.300 1 922 83 83 THR H H 7.721 0.030 1 923 83 83 THR HA H 4.419 0.030 1 924 83 83 THR HB H 4.241 0.030 1 925 83 83 THR HG2 H 1.163 0.030 1 926 83 83 THR C C 174.457 0.300 1 927 83 83 THR CA C 61.600 0.300 1 928 83 83 THR CB C 70.746 0.300 1 929 83 83 THR CG2 C 21.907 0.300 1 930 83 83 THR N N 104.408 0.300 1 931 84 84 MET H H 7.367 0.030 1 932 84 84 MET HA H 4.488 0.030 1 933 84 84 MET HB2 H 1.841 0.030 2 934 84 84 MET HB3 H 1.770 0.030 2 935 84 84 MET HE H 1.843 0.030 1 936 84 84 MET HG2 H 1.985 0.030 2 937 84 84 MET HG3 H 1.751 0.030 2 938 84 84 MET C C 173.515 0.300 1 939 84 84 MET CA C 55.477 0.300 1 940 84 84 MET CB C 35.426 0.300 1 941 84 84 MET CE C 16.576 0.300 1 942 84 84 MET CG C 30.545 0.300 1 943 84 84 MET N N 119.028 0.300 1 944 85 85 VAL H H 7.831 0.030 1 945 85 85 VAL HA H 4.584 0.030 1 946 85 85 VAL HB H 1.438 0.030 1 947 85 85 VAL HG1 H -0.056 0.030 1 948 85 85 VAL HG2 H 0.913 0.030 1 949 85 85 VAL C C 174.458 0.300 1 950 85 85 VAL CA C 61.441 0.300 1 951 85 85 VAL CB C 34.242 0.300 1 952 85 85 VAL CG1 C 21.330 0.300 2 953 85 85 VAL CG2 C 21.953 0.300 2 954 85 85 VAL N N 123.433 0.300 1 955 86 86 TYR H H 8.860 0.030 1 956 86 86 TYR HA H 4.514 0.030 1 957 86 86 TYR HB2 H 2.868 0.030 2 958 86 86 TYR HB3 H 2.308 0.030 2 959 86 86 TYR HD1 H 6.757 0.030 1 960 86 86 TYR HD2 H 6.757 0.030 1 961 86 86 TYR HE1 H 6.353 0.030 1 962 86 86 TYR HE2 H 6.353 0.030 1 963 86 86 TYR C C 174.010 0.300 1 964 86 86 TYR CA C 56.606 0.300 1 965 86 86 TYR CB C 39.414 0.300 1 966 86 86 TYR CD1 C 132.773 0.300 1 967 86 86 TYR CD2 C 132.773 0.300 1 968 86 86 TYR CE1 C 117.159 0.300 1 969 86 86 TYR CE2 C 117.159 0.300 1 970 86 86 TYR N N 123.323 0.300 1 971 87 87 PHE H H 9.074 0.030 1 972 87 87 PHE HA H 4.159 0.030 1 973 87 87 PHE HB2 H 1.343 0.030 2 974 87 87 PHE HB3 H 0.898 0.030 2 975 87 87 PHE HD1 H 5.853 0.030 1 976 87 87 PHE HD2 H 5.853 0.030 1 977 87 87 PHE HE1 H 6.922 0.030 1 978 87 87 PHE HE2 H 6.922 0.030 1 979 87 87 PHE HZ H 7.051 0.030 1 980 87 87 PHE C C 176.212 0.300 1 981 87 87 PHE CA C 57.223 0.300 1 982 87 87 PHE CB C 36.867 0.300 1 983 87 87 PHE CD1 C 131.772 0.300 1 984 87 87 PHE CD2 C 131.772 0.300 1 985 87 87 PHE CE1 C 130.250 0.300 1 986 87 87 PHE CE2 C 130.250 0.300 1 987 87 87 PHE CZ C 129.186 0.300 1 988 87 87 PHE N N 124.993 0.300 1 989 88 88 VAL H H 9.037 0.030 1 990 88 88 VAL HA H 4.119 0.030 1 991 88 88 VAL HB H 0.213 0.030 1 992 88 88 VAL HG1 H 0.537 0.030 1 993 88 88 VAL HG2 H 0.662 0.030 1 994 88 88 VAL C C 176.389 0.300 1 995 88 88 VAL CA C 64.371 0.300 1 996 88 88 VAL CB C 32.464 0.300 1 997 88 88 VAL CG1 C 25.848 0.300 2 998 88 88 VAL CG2 C 22.202 0.300 2 999 88 88 VAL N N 127.609 0.300 1 1000 89 89 GLY H H 8.774 0.030 1 1001 89 89 GLY HA2 H 4.270 0.030 2 1002 89 89 GLY HA3 H 4.101 0.030 2 1003 89 89 GLY C C 172.673 0.300 1 1004 89 89 GLY CA C 45.047 0.300 1 1005 89 89 GLY N N 115.856 0.300 1 1006 90 90 GLU H H 9.786 0.030 1 1007 90 90 GLU HA H 4.503 0.030 1 1008 90 90 GLU HB2 H 1.695 0.030 1 1009 90 90 GLU HB3 H 1.695 0.030 1 1010 90 90 GLU HG2 H 1.708 0.030 2 1011 90 90 GLU HG3 H 1.886 0.030 2 1012 90 90 GLU C C 173.208 0.300 1 1013 90 90 GLU CA C 56.455 0.300 1 1014 90 90 GLU CB C 33.616 0.300 1 1015 90 90 GLU CG C 36.971 0.300 1 1016 90 90 GLU N N 123.437 0.300 1 1017 91 91 ASN H H 8.663 0.030 1 1018 91 91 ASN HA H 4.522 0.030 1 1019 91 91 ASN HB2 H 2.927 0.030 2 1020 91 91 ASN HB3 H 2.668 0.030 2 1021 91 91 ASN HD21 H 7.112 0.030 2 1022 91 91 ASN HD22 H 7.775 0.030 2 1023 91 91 ASN C C 174.207 0.300 1 1024 91 91 ASN CA C 51.259 0.300 1 1025 91 91 ASN CB C 37.723 0.300 1 1026 91 91 ASN N N 124.837 0.300 1 1027 91 91 ASN ND2 N 110.614 0.300 1 1028 92 92 ASN H H 8.059 0.030 1 1029 92 92 ASN HA H 4.613 0.030 1 1030 92 92 ASN HB2 H 3.167 0.030 2 1031 92 92 ASN HB3 H 2.315 0.030 2 1032 92 92 ASN HD21 H 7.779 0.030 2 1033 92 92 ASN HD22 H 6.771 0.030 2 1034 92 92 ASN C C 176.001 0.300 1 1035 92 92 ASN CA C 51.947 0.300 1 1036 92 92 ASN CB C 38.469 0.300 1 1037 92 92 ASN N N 122.848 0.300 1 1038 92 92 ASN ND2 N 111.660 0.300 1 1039 93 93 GLY H H 8.232 0.030 1 1040 93 93 GLY HA2 H 4.160 0.030 2 1041 93 93 GLY HA3 H 3.731 0.030 2 1042 93 93 GLY C C 173.618 0.300 1 1043 93 93 GLY CA C 45.895 0.300 1 1044 93 93 GLY N N 108.484 0.300 1 1045 94 94 ASP H H 7.813 0.030 1 1046 94 94 ASP HA H 4.778 0.030 1 1047 94 94 ASP HB2 H 2.950 0.030 2 1048 94 94 ASP HB3 H 2.536 0.030 2 1049 94 94 ASP C C 176.956 0.300 1 1050 94 94 ASP CA C 53.729 0.300 1 1051 94 94 ASP CB C 41.417 0.300 1 1052 94 94 ASP N N 119.983 0.300 1 1053 95 95 SER H H 8.790 0.030 1 1054 95 95 SER HA H 4.514 0.030 1 1055 95 95 SER HB2 H 3.935 0.030 1 1056 95 95 SER HB3 H 3.935 0.030 1 1057 95 95 SER C C 174.603 0.300 1 1058 95 95 SER CA C 58.512 0.300 1 1059 95 95 SER CB C 63.554 0.300 1 1060 95 95 SER N N 120.275 0.300 1 1061 96 96 SER H H 8.449 0.030 1 1062 96 96 SER HA H 4.341 0.030 1 1063 96 96 SER HB2 H 3.904 0.030 1 1064 96 96 SER HB3 H 3.904 0.030 1 1065 96 96 SER C C 174.071 0.300 1 1066 96 96 SER CA C 59.059 0.300 1 1067 96 96 SER CB C 64.089 0.300 1 1068 96 96 SER N N 118.485 0.300 1 1069 97 97 HIS H H 8.524 0.030 1 1070 97 97 HIS HA H 4.603 0.030 1 1071 97 97 HIS HB2 H 3.163 0.030 2 1072 97 97 HIS HB3 H 3.109 0.030 2 1073 97 97 HIS HD2 H 7.052 0.030 1 1074 97 97 HIS HE1 H 7.983 0.030 1 1075 97 97 HIS C C 174.597 0.300 1 1076 97 97 HIS CA C 56.306 0.300 1 1077 97 97 HIS CB C 29.172 0.300 1 1078 97 97 HIS CD2 C 121.212 0.300 1 1079 97 97 HIS CE1 C 137.954 0.300 1 1080 97 97 HIS N N 120.624 0.300 1 1081 98 98 ASN H H 8.361 0.030 1 1082 98 98 ASN HA H 4.972 0.030 1 1083 98 98 ASN HB2 H 2.950 0.030 2 1084 98 98 ASN HB3 H 2.749 0.030 2 1085 98 98 ASN HD21 H 7.059 0.030 2 1086 98 98 ASN HD22 H 7.885 0.030 2 1087 98 98 ASN C C 173.472 0.300 1 1088 98 98 ASN CA C 50.584 0.300 1 1089 98 98 ASN CB C 39.240 0.300 1 1090 98 98 ASN N N 123.141 0.300 1 1091 98 98 ASN ND2 N 113.670 0.300 1 1092 99 99 PRO HA H 4.312 0.030 1 1093 99 99 PRO HB2 H 2.422 0.030 2 1094 99 99 PRO HB3 H 2.031 0.030 2 1095 99 99 PRO HD2 H 3.573 0.030 2 1096 99 99 PRO HD3 H 3.882 0.030 2 1097 99 99 PRO HG2 H 2.111 0.030 2 1098 99 99 PRO HG3 H 2.043 0.030 2 1099 99 99 PRO C C 178.727 0.300 1 1100 99 99 PRO CA C 64.783 0.300 1 1101 99 99 PRO CB C 32.359 0.300 1 1102 99 99 PRO CD C 50.847 0.300 1 1103 99 99 PRO CG C 27.242 0.300 1 1104 100 100 VAL H H 7.733 0.030 1 1105 100 100 VAL HA H 3.830 0.030 1 1106 100 100 VAL HB H 2.089 0.030 1 1107 100 100 VAL HG1 H 1.006 0.030 1 1108 100 100 VAL HG2 H 0.904 0.030 1 1109 100 100 VAL C C 178.147 0.300 1 1110 100 100 VAL CA C 65.112 0.300 1 1111 100 100 VAL CB C 31.818 0.300 1 1112 100 100 VAL CG1 C 21.996 0.300 2 1113 100 100 VAL CG2 C 20.889 0.300 2 1114 100 100 VAL N N 118.747 0.300 1 1115 101 101 LEU H H 7.302 0.030 1 1116 101 101 LEU HA H 4.172 0.030 1 1117 101 101 LEU HB2 H 1.644 0.030 1 1118 101 101 LEU HB3 H 1.644 0.030 1 1119 101 101 LEU HD1 H 0.870 0.030 1 1120 101 101 LEU HD2 H 0.820 0.030 1 1121 101 101 LEU HG H 1.579 0.030 1 1122 101 101 LEU C C 180.295 0.300 1 1123 101 101 LEU CA C 56.500 0.300 1 1124 101 101 LEU CB C 41.594 0.300 1 1125 101 101 LEU CD1 C 24.708 0.300 2 1126 101 101 LEU CD2 C 23.505 0.300 2 1127 101 101 LEU CG C 26.661 0.300 1 1128 101 101 LEU N N 120.711 0.300 1 1129 102 102 ALA H H 8.470 0.030 1 1130 102 102 ALA HA H 4.340 0.030 1 1131 102 102 ALA HB H 1.552 0.030 1 1132 102 102 ALA C C 180.547 0.300 1 1133 102 102 ALA CA C 55.124 0.300 1 1134 102 102 ALA CB C 18.642 0.300 1 1135 102 102 ALA N N 124.047 0.300 1 1136 103 103 ALA H H 7.792 0.030 1 1137 103 103 ALA HA H 4.392 0.030 1 1138 103 103 ALA HB H 1.524 0.030 1 1139 103 103 ALA C C 177.948 0.300 1 1140 103 103 ALA CA C 54.082 0.300 1 1141 103 103 ALA CB C 18.195 0.300 1 1142 103 103 ALA N N 119.684 0.300 1 1143 104 104 THR H H 7.722 0.030 1 1144 104 104 THR HA H 4.170 0.030 1 1145 104 104 THR HB H 4.198 0.030 1 1146 104 104 THR HG2 H 1.172 0.030 1 1147 104 104 THR C C 175.249 0.300 1 1148 104 104 THR CA C 61.936 0.300 1 1149 104 104 THR CB C 70.257 0.300 1 1150 104 104 THR CG2 C 21.560 0.300 1 1151 104 104 THR N N 106.061 0.300 1 1152 105 105 GLY H H 8.126 0.030 1 1153 105 105 GLY HA2 H 4.159 0.030 2 1154 105 105 GLY HA3 H 3.761 0.030 2 1155 105 105 GLY C C 172.412 0.300 1 1156 105 105 GLY CA C 45.506 0.300 1 1157 105 105 GLY N N 108.679 0.300 1 1158 106 106 VAL H H 7.326 0.030 1 1159 106 106 VAL HA H 3.905 0.030 1 1160 106 106 VAL HB H 1.731 0.030 1 1161 106 106 VAL HG1 H 0.806 0.030 1 1162 106 106 VAL HG2 H 0.793 0.030 1 1163 106 106 VAL C C 174.187 0.300 1 1164 106 106 VAL CA C 63.241 0.300 1 1165 106 106 VAL CB C 33.616 0.300 1 1166 106 106 VAL CG1 C 21.558 0.300 2 1167 106 106 VAL CG2 C 21.035 0.300 2 1168 106 106 VAL N N 119.742 0.300 1 1169 107 107 GLY H H 8.035 0.030 1 1170 107 107 GLY HA2 H 4.725 0.030 2 1171 107 107 GLY HA3 H 4.007 0.030 2 1172 107 107 GLY C C 175.309 0.300 1 1173 107 107 GLY CA C 44.289 0.300 1 1174 107 107 GLY N N 114.488 0.300 1 1175 108 108 LEU H H 9.170 0.030 1 1176 108 108 LEU HA H 4.421 0.030 1 1177 108 108 LEU HB2 H 1.803 0.030 2 1178 108 108 LEU HB3 H 1.445 0.030 2 1179 108 108 LEU HD1 H 1.041 0.030 1 1180 108 108 LEU HD2 H 0.939 0.030 1 1181 108 108 LEU HG H 1.522 0.030 1 1182 108 108 LEU C C 177.935 0.300 1 1183 108 108 LEU CA C 58.079 0.300 1 1184 108 108 LEU CB C 42.965 0.300 1 1185 108 108 LEU CD1 C 24.169 0.300 2 1186 108 108 LEU CD2 C 25.475 0.300 2 1187 108 108 LEU CG C 27.226 0.300 1 1188 108 108 LEU N N 125.513 0.300 1 1189 109 109 ASP H H 8.670 0.030 1 1190 109 109 ASP HA H 4.343 0.030 1 1191 109 109 ASP HB2 H 2.691 0.030 2 1192 109 109 ASP HB3 H 2.662 0.030 2 1193 109 109 ASP C C 179.573 0.300 1 1194 109 109 ASP CA C 54.634 0.300 1 1195 109 109 ASP CB C 40.386 0.300 1 1196 109 109 ASP N N 118.295 0.300 1 1197 110 110 VAL H H 8.243 0.030 1 1198 110 110 VAL HA H 4.172 0.030 1 1199 110 110 VAL HB H 2.160 0.030 1 1200 110 110 VAL HG1 H 1.082 0.030 1 1201 110 110 VAL HG2 H 1.225 0.030 1 1202 110 110 VAL C C 178.497 0.300 1 1203 110 110 VAL CA C 64.637 0.300 1 1204 110 110 VAL CB C 31.683 0.300 1 1205 110 110 VAL CG1 C 21.179 0.300 2 1206 110 110 VAL CG2 C 22.236 0.300 2 1207 110 110 VAL N N 119.150 0.300 1 1208 111 111 ALA H H 7.530 0.030 1 1209 111 111 ALA HA H 4.372 0.030 1 1210 111 111 ALA HB H 1.920 0.030 1 1211 111 111 ALA C C 179.622 0.300 1 1212 111 111 ALA CA C 56.377 0.300 1 1213 111 111 ALA CB C 19.182 0.300 1 1214 111 111 ALA N N 124.214 0.300 1 1215 112 112 GLN H H 9.206 0.030 1 1216 112 112 GLN HA H 4.151 0.030 1 1217 112 112 GLN HB2 H 2.367 0.030 2 1218 112 112 GLN HB3 H 1.991 0.030 2 1219 112 112 GLN HE21 H 7.573 0.030 2 1220 112 112 GLN HE22 H 6.833 0.030 2 1221 112 112 GLN HG2 H 2.750 0.030 2 1222 112 112 GLN HG3 H 2.482 0.030 2 1223 112 112 GLN C C 179.018 0.300 1 1224 112 112 GLN CA C 59.359 0.300 1 1225 112 112 GLN CB C 28.163 0.300 1 1226 112 112 GLN CG C 34.924 0.300 1 1227 112 112 GLN N N 118.565 0.300 1 1228 112 112 GLN NE2 N 111.418 0.300 1 1229 113 113 SER H H 7.753 0.030 1 1230 113 113 SER HA H 4.134 0.030 1 1231 113 113 SER HB2 H 3.962 0.030 1 1232 113 113 SER HB3 H 3.962 0.030 1 1233 113 113 SER C C 178.661 0.300 1 1234 113 113 SER CA C 61.371 0.300 1 1235 113 113 SER CB C 62.567 0.300 1 1236 113 113 SER N N 114.604 0.300 1 1237 114 114 TRP H H 7.722 0.030 1 1238 114 114 TRP HA H 3.922 0.030 1 1239 114 114 TRP HB2 H 3.548 0.030 2 1240 114 114 TRP HB3 H 3.267 0.030 2 1241 114 114 TRP HD1 H 7.358 0.030 1 1242 114 114 TRP HE1 H 10.661 0.030 1 1243 114 114 TRP HE3 H 7.552 0.030 1 1244 114 114 TRP HH2 H 6.861 0.030 1 1245 114 114 TRP HZ2 H 7.048 0.030 1 1246 114 114 TRP HZ3 H 7.031 0.030 1 1247 114 114 TRP C C 177.045 0.300 1 1248 114 114 TRP CA C 62.235 0.300 1 1249 114 114 TRP CB C 29.052 0.300 1 1250 114 114 TRP CD1 C 127.324 0.300 1 1251 114 114 TRP CE3 C 118.408 0.300 1 1252 114 114 TRP CH2 C 124.748 0.300 1 1253 114 114 TRP CZ2 C 115.162 0.300 1 1254 114 114 TRP CZ3 C 121.325 0.300 1 1255 114 114 TRP N N 123.099 0.300 1 1256 114 114 TRP NE1 N 129.698 0.300 1 1257 115 115 GLU H H 8.682 0.030 1 1258 115 115 GLU HA H 2.693 0.030 1 1259 115 115 GLU HB2 H 1.693 0.030 2 1260 115 115 GLU HB3 H 0.981 0.030 2 1261 115 115 GLU HG2 H 1.377 0.030 2 1262 115 115 GLU HG3 H 1.642 0.030 2 1263 115 115 GLU C C 178.056 0.300 1 1264 115 115 GLU CA C 60.259 0.300 1 1265 115 115 GLU CB C 28.920 0.300 1 1266 115 115 GLU CG C 35.525 0.300 1 1267 115 115 GLU N N 122.021 0.300 1 1268 116 116 LYS H H 7.808 0.030 1 1269 116 116 LYS HA H 3.764 0.030 1 1270 116 116 LYS HB2 H 1.762 0.030 1 1271 116 116 LYS HB3 H 1.762 0.030 1 1272 116 116 LYS HD2 H 1.592 0.030 1 1273 116 116 LYS HD3 H 1.592 0.030 1 1274 116 116 LYS HE2 H 2.872 0.030 1 1275 116 116 LYS HE3 H 2.872 0.030 1 1276 116 116 LYS HG2 H 1.482 0.030 2 1277 116 116 LYS HG3 H 1.307 0.030 2 1278 116 116 LYS C C 178.688 0.300 1 1279 116 116 LYS CA C 59.553 0.300 1 1280 116 116 LYS CB C 32.547 0.300 1 1281 116 116 LYS CD C 29.375 0.300 1 1282 116 116 LYS CE C 42.029 0.300 1 1283 116 116 LYS CG C 25.124 0.300 1 1284 116 116 LYS N N 116.275 0.300 1 1285 117 117 ALA H H 7.458 0.030 1 1286 117 117 ALA HA H 4.001 0.030 1 1287 117 117 ALA HB H 1.167 0.030 1 1288 117 117 ALA C C 180.268 0.300 1 1289 117 117 ALA CA C 54.912 0.300 1 1290 117 117 ALA CB C 18.589 0.300 1 1291 117 117 ALA N N 120.717 0.300 1 1292 118 118 ILE H H 8.690 0.030 1 1293 118 118 ILE HA H 3.639 0.030 1 1294 118 118 ILE HB H 1.757 0.030 1 1295 118 118 ILE HD1 H 1.321 0.030 1 1296 118 118 ILE HG12 H 1.093 0.030 2 1297 118 118 ILE HG13 H 2.422 0.030 2 1298 118 118 ILE HG2 H 0.915 0.030 1 1299 118 118 ILE C C 177.263 0.300 1 1300 118 118 ILE CA C 65.906 0.300 1 1301 118 118 ILE CB C 38.463 0.300 1 1302 118 118 ILE CD1 C 15.203 0.300 1 1303 118 118 ILE CG1 C 30.614 0.300 1 1304 118 118 ILE CG2 C 18.068 0.300 1 1305 118 118 ILE N N 118.566 0.300 1 1306 119 119 ARG H H 8.431 0.030 1 1307 119 119 ARG HA H 3.812 0.030 1 1308 119 119 ARG HB2 H 1.804 0.030 2 1309 119 119 ARG HB3 H 1.710 0.030 2 1310 119 119 ARG HD2 H 3.176 0.030 2 1311 119 119 ARG HD3 H 3.010 0.030 2 1312 119 119 ARG HG2 H 1.542 0.030 1 1313 119 119 ARG HG3 H 1.542 0.030 1 1314 119 119 ARG C C 179.728 0.300 1 1315 119 119 ARG CA C 60.926 0.300 1 1316 119 119 ARG CB C 29.874 0.300 1 1317 119 119 ARG CD C 43.280 0.300 1 1318 119 119 ARG CG C 29.555 0.300 1 1319 119 119 ARG N N 117.811 0.300 1 1320 120 120 GLN H H 8.050 0.030 1 1321 120 120 GLN HA H 4.002 0.030 1 1322 120 120 GLN HB2 H 2.153 0.030 2 1323 120 120 GLN HB3 H 2.070 0.030 2 1324 120 120 GLN HE21 H 7.392 0.030 2 1325 120 120 GLN HE22 H 6.802 0.030 2 1326 120 120 GLN HG2 H 2.413 0.030 2 1327 120 120 GLN HG3 H 2.325 0.030 2 1328 120 120 GLN C C 178.492 0.300 1 1329 120 120 GLN CA C 58.777 0.300 1 1330 120 120 GLN CB C 28.237 0.300 1 1331 120 120 GLN CG C 34.030 0.300 1 1332 120 120 GLN N N 117.203 0.300 1 1333 120 120 GLN NE2 N 111.922 0.300 1 1334 121 121 ALA H H 7.946 0.030 1 1335 121 121 ALA HA H 4.131 0.030 1 1336 121 121 ALA HB H 1.512 0.030 1 1337 121 121 ALA C C 179.730 0.300 1 1338 121 121 ALA CA C 54.466 0.300 1 1339 121 121 ALA CB C 18.686 0.300 1 1340 121 121 ALA N N 123.000 0.300 1 1341 122 122 LEU H H 7.876 0.030 1 1342 122 122 LEU HA H 4.122 0.030 1 1343 122 122 LEU HB2 H 1.821 0.030 2 1344 122 122 LEU HB3 H 1.619 0.030 2 1345 122 122 LEU HD1 H 0.882 0.030 1 1346 122 122 LEU HD2 H 0.834 0.030 1 1347 122 122 LEU HG H 1.911 0.030 1 1348 122 122 LEU C C 178.322 0.300 1 1349 122 122 LEU CA C 56.395 0.300 1 1350 122 122 LEU CB C 42.213 0.300 1 1351 122 122 LEU CD1 C 24.186 0.300 2 1352 122 122 LEU CD2 C 26.128 0.300 2 1353 122 122 LEU CG C 26.465 0.300 1 1354 122 122 LEU N N 117.187 0.300 1 1355 123 123 MET H H 7.622 0.030 1 1356 123 123 MET HA H 4.396 0.030 1 1357 123 123 MET HB2 H 2.174 0.030 2 1358 123 123 MET HB3 H 2.135 0.030 2 1359 123 123 MET HE H 2.082 0.030 1 1360 123 123 MET HG2 H 2.730 0.030 2 1361 123 123 MET HG3 H 2.633 0.030 2 1362 123 123 MET C C 176.625 0.300 1 1363 123 123 MET CA C 56.377 0.300 1 1364 123 123 MET CB C 32.662 0.300 1 1365 123 123 MET CE C 16.885 0.300 1 1366 123 123 MET CG C 31.970 0.300 1 1367 123 123 MET N N 117.684 0.300 1 1368 124 124 SER H H 7.907 0.030 1 1369 124 124 SER HA H 4.469 0.030 1 1370 124 124 SER HB2 H 3.924 0.030 1 1371 124 124 SER HB3 H 3.924 0.030 1 1372 124 124 SER C C 174.643 0.300 1 1373 124 124 SER CA C 58.865 0.300 1 1374 124 124 SER CB C 63.842 0.300 1 1375 124 124 SER N N 115.125 0.300 1 1376 125 125 GLY H H 8.057 0.030 1 1377 125 125 GLY HA2 H 4.193 0.030 2 1378 125 125 GLY HA3 H 4.087 0.030 2 1379 125 125 GLY C C 171.969 0.300 1 1380 125 125 GLY CA C 44.924 0.300 1 1381 125 125 GLY N N 110.318 0.300 1 1382 126 126 PRO HA H 4.484 0.030 1 1383 126 126 PRO HB2 H 2.285 0.030 2 1384 126 126 PRO HB3 H 1.981 0.030 2 1385 126 126 PRO HD2 H 3.651 0.030 1 1386 126 126 PRO HD3 H 3.651 0.030 1 1387 126 126 PRO HG2 H 2.010 0.030 1 1388 126 126 PRO HG3 H 2.010 0.030 1 1389 126 126 PRO C C 177.433 0.300 1 1390 126 126 PRO CA C 63.347 0.300 1 1391 126 126 PRO CB C 32.177 0.300 1 1392 126 126 PRO CD C 49.914 0.300 1 1393 126 126 PRO CG C 27.232 0.300 1 1394 127 127 SER H H 8.480 0.030 1 1395 127 127 SER C C 174.732 0.300 1 1396 127 127 SER CA C 58.335 0.300 1 1397 127 127 SER CB C 63.924 0.300 1 1398 127 127 SER N N 116.161 0.300 1 stop_ save_