data_10314 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of Evectin-2 from mouse ; _BMRB_accession_number 10314 _BMRB_flat_file_name bmr10314.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 Yoneyama M. . . 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" 698 "13C chemical shifts" 512 "15N chemical shifts" 122 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 Evectin-2 from mouse' _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 Yoneyama M. . . 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 'Pleckstrin homology domain-containing family B member 2' _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 120 _Mol_residue_sequence ; GSSGSSGFVKSGWLLRQSTI LKRWKKNWFDLWSDGHLIYY DDQTRQSIEDKVHMPVDCIN IRTGHECRDIQPPDGKPRDC LLQIVCRDGKTISLCAESTD DCLAWKFTLQDSRTSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PHE 9 VAL 10 LYS 11 SER 12 GLY 13 TRP 14 LEU 15 LEU 16 ARG 17 GLN 18 SER 19 THR 20 ILE 21 LEU 22 LYS 23 ARG 24 TRP 25 LYS 26 LYS 27 ASN 28 TRP 29 PHE 30 ASP 31 LEU 32 TRP 33 SER 34 ASP 35 GLY 36 HIS 37 LEU 38 ILE 39 TYR 40 TYR 41 ASP 42 ASP 43 GLN 44 THR 45 ARG 46 GLN 47 SER 48 ILE 49 GLU 50 ASP 51 LYS 52 VAL 53 HIS 54 MET 55 PRO 56 VAL 57 ASP 58 CYS 59 ILE 60 ASN 61 ILE 62 ARG 63 THR 64 GLY 65 HIS 66 GLU 67 CYS 68 ARG 69 ASP 70 ILE 71 GLN 72 PRO 73 PRO 74 ASP 75 GLY 76 LYS 77 PRO 78 ARG 79 ASP 80 CYS 81 LEU 82 LEU 83 GLN 84 ILE 85 VAL 86 CYS 87 ARG 88 ASP 89 GLY 90 LYS 91 THR 92 ILE 93 SER 94 LEU 95 CYS 96 ALA 97 GLU 98 SER 99 THR 100 ASP 101 ASP 102 CYS 103 LEU 104 ALA 105 TRP 106 LYS 107 PHE 108 THR 109 LEU 110 GLN 111 ASP 112 SER 113 ARG 114 THR 115 SER 116 GLY 117 PRO 118 SER 119 SER 120 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2DHI "Solution Structure Of The Ph Domain Of Evectin-2 From Mouse" 100.00 120 100.00 100.00 3.02e-81 DBJ BAC38413 "unnamed protein product [Mus musculus]" 90.83 204 98.17 99.08 2.30e-74 GB EDL14464 "pleckstrin homology domain containing, family B (evectins) member 2, isoform CRA_a, partial [Mus musculus]" 80.83 195 98.97 100.00 8.69e-66 GB EDL14465 "pleckstrin homology domain containing, family B (evectins) member 2, isoform CRA_b, partial [Mus musculus]" 80.83 218 98.97 100.00 7.68e-66 GB EDL99298 "pleckstrin homology domain containing, family B (evectins) member 2 (predicted), isoform CRA_c [Rattus norvegicus]" 51.67 173 98.39 100.00 2.39e-37 REF XP_007464518 "PREDICTED: pleckstrin homology domain-containing family B member 2 isoform X6 [Lipotes vexillifer]" 80.83 170 96.91 98.97 1.56e-63 REF XP_012391058 "PREDICTED: pleckstrin homology domain-containing family B member 2 isoform X9 [Orcinus orca]" 80.83 170 96.91 98.97 1.06e-63 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 P050829-08 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 1.24 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_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 '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 4.382 0.030 1 2 6 6 SER HB2 H 3.770 0.030 1 3 6 6 SER HB3 H 3.770 0.030 1 4 6 6 SER C C 174.391 0.300 1 5 6 6 SER CA C 58.506 0.300 1 6 6 6 SER CB C 63.985 0.300 1 7 7 7 GLY H H 8.108 0.030 1 8 7 7 GLY HA2 H 3.738 0.030 1 9 7 7 GLY HA3 H 3.738 0.030 1 10 7 7 GLY C C 173.619 0.300 1 11 7 7 GLY CA C 44.910 0.300 1 12 7 7 GLY N N 109.823 0.300 1 13 8 8 PHE H H 7.994 0.030 1 14 8 8 PHE HA H 4.997 0.030 1 15 8 8 PHE HB2 H 3.216 0.030 2 16 8 8 PHE HB3 H 2.810 0.030 2 17 8 8 PHE HD1 H 7.013 0.030 1 18 8 8 PHE HD2 H 7.013 0.030 1 19 8 8 PHE HE1 H 6.966 0.030 1 20 8 8 PHE HE2 H 6.966 0.030 1 21 8 8 PHE HZ H 7.152 0.030 1 22 8 8 PHE C C 176.389 0.300 1 23 8 8 PHE CA C 56.027 0.300 1 24 8 8 PHE CB C 38.981 0.300 1 25 8 8 PHE CD1 C 130.658 0.300 1 26 8 8 PHE CD2 C 130.658 0.300 1 27 8 8 PHE CE1 C 131.457 0.300 1 28 8 8 PHE CE2 C 131.457 0.300 1 29 8 8 PHE CZ C 129.558 0.300 1 30 8 8 PHE N N 119.445 0.300 1 31 9 9 VAL H H 9.270 0.030 1 32 9 9 VAL HA H 3.862 0.030 1 33 9 9 VAL HB H 1.768 0.030 1 34 9 9 VAL HG1 H 0.974 0.030 1 35 9 9 VAL HG2 H 0.975 0.030 1 36 9 9 VAL C C 176.538 0.300 1 37 9 9 VAL CA C 64.738 0.300 1 38 9 9 VAL CB C 32.937 0.300 1 39 9 9 VAL CG1 C 21.121 0.300 2 40 9 9 VAL CG2 C 21.519 0.300 2 41 9 9 VAL N N 123.206 0.300 1 42 10 10 LYS H H 7.380 0.030 1 43 10 10 LYS HA H 4.244 0.030 1 44 10 10 LYS HB2 H 1.476 0.030 2 45 10 10 LYS HB3 H 0.987 0.030 2 46 10 10 LYS HD2 H -0.256 0.030 2 47 10 10 LYS HD3 H 0.913 0.030 2 48 10 10 LYS HE2 H 1.620 0.030 2 49 10 10 LYS HE3 H 1.015 0.030 2 50 10 10 LYS HG2 H 0.063 0.030 2 51 10 10 LYS HG3 H 0.964 0.030 2 52 10 10 LYS C C 172.955 0.300 1 53 10 10 LYS CA C 56.905 0.300 1 54 10 10 LYS CB C 36.226 0.300 1 55 10 10 LYS CD C 28.941 0.300 1 56 10 10 LYS CE C 40.277 0.300 1 57 10 10 LYS CG C 25.169 0.300 1 58 10 10 LYS N N 118.228 0.300 1 59 11 11 SER H H 8.198 0.030 1 60 11 11 SER HA H 5.939 0.030 1 61 11 11 SER HB2 H 4.199 0.030 2 62 11 11 SER HB3 H 3.401 0.030 2 63 11 11 SER C C 173.639 0.300 1 64 11 11 SER CA C 57.184 0.300 1 65 11 11 SER CB C 67.350 0.300 1 66 11 11 SER N N 119.496 0.300 1 67 12 12 GLY H H 8.351 0.030 1 68 12 12 GLY HA2 H 4.231 0.030 2 69 12 12 GLY HA3 H 2.884 0.030 2 70 12 12 GLY C C 170.872 0.300 1 71 12 12 GLY CA C 45.121 0.300 1 72 12 12 GLY N N 111.160 0.300 1 73 13 13 TRP H H 8.520 0.030 1 74 13 13 TRP HA H 5.552 0.030 1 75 13 13 TRP HB2 H 3.287 0.030 2 76 13 13 TRP HB3 H 3.203 0.030 2 77 13 13 TRP HD1 H 7.690 0.030 1 78 13 13 TRP HE1 H 10.551 0.030 1 79 13 13 TRP HE3 H 7.833 0.030 1 80 13 13 TRP HH2 H 7.528 0.030 1 81 13 13 TRP HZ2 H 7.762 0.030 1 82 13 13 TRP HZ3 H 7.288 0.030 1 83 13 13 TRP C C 178.552 0.300 1 84 13 13 TRP CA C 56.537 0.300 1 85 13 13 TRP CB C 31.704 0.300 1 86 13 13 TRP CD1 C 129.057 0.300 1 87 13 13 TRP CE3 C 121.295 0.300 1 88 13 13 TRP CH2 C 124.315 0.300 1 89 13 13 TRP CZ2 C 115.394 0.300 1 90 13 13 TRP CZ3 C 121.900 0.300 1 91 13 13 TRP N N 118.841 0.300 1 92 13 13 TRP NE1 N 129.997 0.300 1 93 14 14 LEU H H 9.315 0.030 1 94 14 14 LEU HA H 4.527 0.030 1 95 14 14 LEU HB2 H 1.181 0.030 2 96 14 14 LEU HB3 H 0.682 0.030 2 97 14 14 LEU HD1 H -1.387 0.030 1 98 14 14 LEU HD2 H 0.443 0.030 1 99 14 14 LEU HG H 0.784 0.030 1 100 14 14 LEU C C 176.192 0.300 1 101 14 14 LEU CA C 55.195 0.300 1 102 14 14 LEU CB C 47.245 0.300 1 103 14 14 LEU CD1 C 23.124 0.300 2 104 14 14 LEU CD2 C 23.689 0.300 2 105 14 14 LEU CG C 26.721 0.300 1 106 14 14 LEU N N 122.003 0.300 1 107 15 15 LEU H H 7.692 0.030 1 108 15 15 LEU HA H 5.123 0.030 1 109 15 15 LEU HB2 H 1.873 0.030 2 110 15 15 LEU HB3 H 1.439 0.030 2 111 15 15 LEU HD1 H 0.615 0.030 1 112 15 15 LEU HD2 H 0.772 0.030 1 113 15 15 LEU HG H 1.722 0.030 1 114 15 15 LEU C C 175.975 0.300 1 115 15 15 LEU CA C 54.372 0.300 1 116 15 15 LEU CB C 44.238 0.300 1 117 15 15 LEU CD1 C 25.652 0.300 2 118 15 15 LEU CD2 C 23.403 0.300 2 119 15 15 LEU CG C 27.020 0.300 1 120 15 15 LEU N N 118.910 0.300 1 121 16 16 ARG H H 9.758 0.030 1 122 16 16 ARG HA H 5.472 0.030 1 123 16 16 ARG HB2 H 1.951 0.030 2 124 16 16 ARG HB3 H 1.365 0.030 2 125 16 16 ARG HD2 H 3.393 0.030 2 126 16 16 ARG HD3 H 2.442 0.030 2 127 16 16 ARG HE H 7.561 0.030 1 128 16 16 ARG HG2 H 1.392 0.030 1 129 16 16 ARG HG3 H 1.392 0.030 1 130 16 16 ARG C C 175.112 0.300 1 131 16 16 ARG CA C 54.003 0.300 1 132 16 16 ARG CB C 34.705 0.300 1 133 16 16 ARG CD C 43.329 0.300 1 134 16 16 ARG CG C 26.885 0.300 1 135 16 16 ARG N N 123.762 0.300 1 136 16 16 ARG NE N 81.423 0.300 1 137 17 17 GLN H H 7.980 0.030 1 138 17 17 GLN HA H 3.458 0.030 1 139 17 17 GLN HB2 H 1.307 0.030 2 140 17 17 GLN HB3 H -0.488 0.030 2 141 17 17 GLN HE21 H 6.531 0.030 2 142 17 17 GLN HE22 H 6.092 0.030 2 143 17 17 GLN HG2 H 0.850 0.030 2 144 17 17 GLN HG3 H 1.281 0.030 2 145 17 17 GLN C C 175.058 0.300 1 146 17 17 GLN CA C 56.093 0.300 1 147 17 17 GLN CB C 28.076 0.300 1 148 17 17 GLN CG C 33.943 0.300 1 149 17 17 GLN N N 129.768 0.300 1 150 17 17 GLN NE2 N 108.819 0.300 1 151 18 18 SER H H 8.576 0.030 1 152 18 18 SER HA H 4.687 0.030 1 153 18 18 SER HB2 H 3.925 0.030 1 154 18 18 SER HB3 H 3.925 0.030 1 155 18 18 SER C C 175.822 0.300 1 156 18 18 SER CA C 56.747 0.300 1 157 18 18 SER CB C 63.706 0.300 1 158 18 18 SER N N 123.073 0.300 1 159 19 19 THR HA H 4.052 0.030 1 160 19 19 THR HB H 4.291 0.030 1 161 19 19 THR HG2 H 1.271 0.030 1 162 19 19 THR C C 175.792 0.300 1 163 19 19 THR CA C 64.768 0.300 1 164 19 19 THR CB C 68.923 0.300 1 165 19 19 THR CG2 C 22.184 0.300 1 166 20 20 ILE H H 7.829 0.030 1 167 20 20 ILE HA H 4.022 0.030 1 168 20 20 ILE HB H 1.810 0.030 1 169 20 20 ILE HD1 H 0.877 0.030 1 170 20 20 ILE HG12 H 1.529 0.030 2 171 20 20 ILE HG13 H 1.222 0.030 2 172 20 20 ILE HG2 H 0.903 0.030 1 173 20 20 ILE C C 177.099 0.300 1 174 20 20 ILE CA C 62.979 0.300 1 175 20 20 ILE CB C 38.160 0.300 1 176 20 20 ILE CD1 C 12.529 0.300 1 177 20 20 ILE CG1 C 28.007 0.300 1 178 20 20 ILE CG2 C 17.345 0.300 1 179 20 20 ILE N N 120.448 0.300 1 180 21 21 LEU H H 7.812 0.030 1 181 21 21 LEU HA H 4.213 0.030 1 182 21 21 LEU HB2 H 1.553 0.030 1 183 21 21 LEU HB3 H 1.553 0.030 1 184 21 21 LEU HD1 H 0.919 0.030 1 185 21 21 LEU HD2 H 0.863 0.030 1 186 21 21 LEU HG H 1.630 0.030 1 187 21 21 LEU C C 176.540 0.300 1 188 21 21 LEU CA C 55.094 0.300 1 189 21 21 LEU CB C 42.454 0.300 1 190 21 21 LEU CD1 C 25.260 0.300 2 191 21 21 LEU CD2 C 22.338 0.300 2 192 21 21 LEU CG C 27.050 0.300 1 193 21 21 LEU N N 118.700 0.300 1 194 22 22 LYS H H 7.747 0.030 1 195 22 22 LYS HA H 3.807 0.030 1 196 22 22 LYS HB2 H 1.992 0.030 2 197 22 22 LYS HB3 H 1.791 0.030 2 198 22 22 LYS HD2 H 1.653 0.030 2 199 22 22 LYS HD3 H 1.584 0.030 2 200 22 22 LYS HE2 H 2.992 0.030 1 201 22 22 LYS HE3 H 2.992 0.030 1 202 22 22 LYS HG2 H 1.269 0.030 1 203 22 22 LYS HG3 H 1.269 0.030 1 204 22 22 LYS C C 175.386 0.300 1 205 22 22 LYS CA C 56.875 0.300 1 206 22 22 LYS CB C 29.230 0.300 1 207 22 22 LYS CD C 29.209 0.300 1 208 22 22 LYS CE C 42.425 0.300 1 209 22 22 LYS CG C 24.980 0.300 1 210 22 22 LYS N N 115.397 0.300 1 211 23 23 ARG H H 7.351 0.030 1 212 23 23 ARG HA H 4.652 0.030 1 213 23 23 ARG HB2 H 1.936 0.030 2 214 23 23 ARG HB3 H 1.723 0.030 2 215 23 23 ARG HD2 H 3.215 0.030 1 216 23 23 ARG HD3 H 3.215 0.030 1 217 23 23 ARG HG2 H 1.499 0.030 2 218 23 23 ARG HG3 H 1.547 0.030 2 219 23 23 ARG C C 175.266 0.300 1 220 23 23 ARG CA C 54.566 0.300 1 221 23 23 ARG CB C 32.691 0.300 1 222 23 23 ARG CD C 43.606 0.300 1 223 23 23 ARG CG C 26.492 0.300 1 224 23 23 ARG N N 115.014 0.300 1 225 24 24 TRP H H 8.909 0.030 1 226 24 24 TRP HA H 4.808 0.030 1 227 24 24 TRP HB2 H 3.140 0.030 2 228 24 24 TRP HB3 H 2.922 0.030 2 229 24 24 TRP HD1 H 7.404 0.030 1 230 24 24 TRP HE1 H 10.146 0.030 1 231 24 24 TRP HE3 H 7.022 0.030 1 232 24 24 TRP HH2 H 6.591 0.030 1 233 24 24 TRP HZ2 H 7.423 0.030 1 234 24 24 TRP HZ3 H 6.644 0.030 1 235 24 24 TRP C C 175.978 0.300 1 236 24 24 TRP CA C 56.988 0.300 1 237 24 24 TRP CB C 29.807 0.300 1 238 24 24 TRP CD1 C 127.900 0.300 1 239 24 24 TRP CE3 C 119.948 0.300 1 240 24 24 TRP CH2 C 122.868 0.300 1 241 24 24 TRP CZ2 C 114.956 0.300 1 242 24 24 TRP CZ3 C 122.868 0.300 1 243 24 24 TRP N N 123.215 0.300 1 244 24 24 TRP NE1 N 130.321 0.300 1 245 25 25 LYS H H 9.313 0.030 1 246 25 25 LYS HA H 4.817 0.030 1 247 25 25 LYS HB2 H 1.886 0.030 2 248 25 25 LYS HB3 H 1.761 0.030 2 249 25 25 LYS HD2 H 1.770 0.030 2 250 25 25 LYS HD3 H 1.695 0.030 2 251 25 25 LYS HE2 H 3.090 0.030 1 252 25 25 LYS HE3 H 3.090 0.030 1 253 25 25 LYS HG2 H 1.511 0.030 1 254 25 25 LYS HG3 H 1.511 0.030 1 255 25 25 LYS C C 174.963 0.300 1 256 25 25 LYS CA C 54.654 0.300 1 257 25 25 LYS CB C 35.939 0.300 1 258 25 25 LYS CD C 29.634 0.300 1 259 25 25 LYS CE C 42.014 0.300 1 260 25 25 LYS CG C 24.479 0.300 1 261 25 25 LYS N N 124.677 0.300 1 262 26 26 LYS H H 9.016 0.030 1 263 26 26 LYS HA H 4.763 0.030 1 264 26 26 LYS HB2 H 1.953 0.030 2 265 26 26 LYS HB3 H 1.714 0.030 2 266 26 26 LYS HD2 H 1.223 0.030 1 267 26 26 LYS HD3 H 1.223 0.030 1 268 26 26 LYS HE2 H 2.224 0.030 2 269 26 26 LYS HE3 H 2.075 0.030 2 270 26 26 LYS HG2 H 1.440 0.030 1 271 26 26 LYS HG3 H 1.440 0.030 1 272 26 26 LYS C C 175.926 0.300 1 273 26 26 LYS CA C 57.516 0.300 1 274 26 26 LYS CB C 33.094 0.300 1 275 26 26 LYS CD C 29.485 0.300 1 276 26 26 LYS CE C 40.945 0.300 1 277 26 26 LYS CG C 25.575 0.300 1 278 26 26 LYS N N 126.096 0.300 1 279 27 27 ASN H H 9.432 0.030 1 280 27 27 ASN HA H 5.632 0.030 1 281 27 27 ASN HB2 H 2.832 0.030 2 282 27 27 ASN HB3 H 2.592 0.030 2 283 27 27 ASN HD21 H 8.213 0.030 2 284 27 27 ASN HD22 H 7.911 0.030 2 285 27 27 ASN C C 171.975 0.300 1 286 27 27 ASN CA C 52.659 0.300 1 287 27 27 ASN CB C 46.454 0.300 1 288 27 27 ASN N N 125.893 0.300 1 289 27 27 ASN ND2 N 110.827 0.300 1 290 28 28 TRP H H 8.468 0.030 1 291 28 28 TRP HA H 4.492 0.030 1 292 28 28 TRP HB2 H 2.593 0.030 2 293 28 28 TRP HB3 H 1.963 0.030 2 294 28 28 TRP HD1 H 6.665 0.030 1 295 28 28 TRP HE1 H 9.691 0.030 1 296 28 28 TRP HE3 H 5.164 0.030 1 297 28 28 TRP HH2 H 7.035 0.030 1 298 28 28 TRP HZ2 H 7.234 0.030 1 299 28 28 TRP HZ3 H 6.462 0.030 1 300 28 28 TRP C C 174.523 0.300 1 301 28 28 TRP CA C 56.601 0.300 1 302 28 28 TRP CB C 29.971 0.300 1 303 28 28 TRP CD1 C 126.681 0.300 1 304 28 28 TRP CE3 C 119.841 0.300 1 305 28 28 TRP CH2 C 123.792 0.300 1 306 28 28 TRP CZ2 C 114.181 0.300 1 307 28 28 TRP CZ3 C 121.624 0.300 1 308 28 28 TRP N N 122.000 0.300 1 309 28 28 TRP NE1 N 128.914 0.300 1 310 29 29 PHE H H 8.432 0.030 1 311 29 29 PHE HA H 5.001 0.030 1 312 29 29 PHE HB2 H 2.864 0.030 2 313 29 29 PHE HB3 H 2.292 0.030 2 314 29 29 PHE HD1 H 6.924 0.030 1 315 29 29 PHE HD2 H 6.924 0.030 1 316 29 29 PHE HE1 H 6.540 0.030 1 317 29 29 PHE HE2 H 6.540 0.030 1 318 29 29 PHE HZ H 6.132 0.030 1 319 29 29 PHE C C 174.475 0.300 1 320 29 29 PHE CA C 56.708 0.300 1 321 29 29 PHE CB C 42.269 0.300 1 322 29 29 PHE CD1 C 131.290 0.300 1 323 29 29 PHE CD2 C 131.290 0.300 1 324 29 29 PHE CE1 C 131.136 0.300 1 325 29 29 PHE CE2 C 131.136 0.300 1 326 29 29 PHE CZ C 128.616 0.300 1 327 29 29 PHE N N 127.562 0.300 1 328 30 30 ASP H H 9.204 0.030 1 329 30 30 ASP HA H 5.424 0.030 1 330 30 30 ASP HB2 H 2.832 0.030 2 331 30 30 ASP HB3 H 2.229 0.030 2 332 30 30 ASP C C 173.948 0.300 1 333 30 30 ASP CA C 53.993 0.300 1 334 30 30 ASP CB C 45.928 0.300 1 335 30 30 ASP N N 116.877 0.300 1 336 31 31 LEU H H 9.322 0.030 1 337 31 31 LEU HA H 5.618 0.030 1 338 31 31 LEU HB2 H 2.282 0.030 2 339 31 31 LEU HB3 H 1.509 0.030 2 340 31 31 LEU HD1 H 1.133 0.030 1 341 31 31 LEU HD2 H 0.990 0.030 1 342 31 31 LEU HG H 1.692 0.030 1 343 31 31 LEU C C 176.047 0.300 1 344 31 31 LEU CA C 53.408 0.300 1 345 31 31 LEU CB C 44.598 0.300 1 346 31 31 LEU CD1 C 22.481 0.300 2 347 31 31 LEU CD2 C 27.801 0.300 2 348 31 31 LEU CG C 27.838 0.300 1 349 31 31 LEU N N 123.255 0.300 1 350 32 32 TRP H H 10.091 0.030 1 351 32 32 TRP HA H 5.442 0.030 1 352 32 32 TRP HB2 H 3.931 0.030 2 353 32 32 TRP HB3 H 3.877 0.030 2 354 32 32 TRP HD1 H 7.061 0.030 1 355 32 32 TRP HE1 H 10.438 0.030 1 356 32 32 TRP HE3 H 8.022 0.030 1 357 32 32 TRP HH2 H 7.133 0.030 1 358 32 32 TRP HZ2 H 7.502 0.030 1 359 32 32 TRP HZ3 H 6.978 0.030 1 360 32 32 TRP C C 179.405 0.300 1 361 32 32 TRP CA C 56.504 0.300 1 362 32 32 TRP CB C 32.249 0.300 1 363 32 32 TRP CD1 C 123.728 0.300 1 364 32 32 TRP CE3 C 121.486 0.300 1 365 32 32 TRP CH2 C 124.523 0.300 1 366 32 32 TRP CZ2 C 114.623 0.300 1 367 32 32 TRP CZ3 C 121.501 0.300 1 368 32 32 TRP N N 129.236 0.300 1 369 32 32 TRP NE1 N 129.462 0.300 1 370 33 33 SER H H 9.544 0.030 1 371 33 33 SER HA H 4.191 0.030 1 372 33 33 SER HB2 H 3.963 0.030 2 373 33 33 SER HB3 H 4.122 0.030 2 374 33 33 SER CA C 61.426 0.300 1 375 33 33 SER CB C 62.968 0.300 1 376 33 33 SER N N 118.338 0.300 1 377 34 34 ASP H H 7.984 0.030 1 378 34 34 ASP HA H 4.831 0.030 1 379 34 34 ASP HB2 H 3.361 0.030 2 380 34 34 ASP HB3 H 2.871 0.030 2 381 34 34 ASP C C 177.185 0.300 1 382 34 34 ASP CA C 53.476 0.300 1 383 34 34 ASP CB C 40.431 0.300 1 384 34 34 ASP N N 118.801 0.300 1 385 35 35 GLY H H 8.114 0.030 1 386 35 35 GLY HA2 H 4.240 0.030 2 387 35 35 GLY HA3 H 3.758 0.030 2 388 35 35 GLY C C 174.790 0.300 1 389 35 35 GLY CA C 45.349 0.300 1 390 35 35 GLY N N 105.884 0.300 1 391 36 36 HIS H H 8.285 0.030 1 392 36 36 HIS HA H 4.997 0.030 1 393 36 36 HIS HB2 H 2.954 0.030 2 394 36 36 HIS HB3 H 2.323 0.030 2 395 36 36 HIS HD2 H 6.475 0.030 1 396 36 36 HIS HE1 H 7.473 0.030 1 397 36 36 HIS C C 172.581 0.300 1 398 36 36 HIS CA C 60.252 0.300 1 399 36 36 HIS CB C 28.358 0.300 1 400 36 36 HIS CD2 C 122.684 0.300 1 401 36 36 HIS CE1 C 137.326 0.300 1 402 36 36 HIS N N 118.557 0.300 1 403 37 37 LEU H H 9.423 0.030 1 404 37 37 LEU HA H 5.410 0.030 1 405 37 37 LEU HB2 H 2.231 0.030 2 406 37 37 LEU HB3 H 1.272 0.030 2 407 37 37 LEU HD1 H 1.172 0.030 1 408 37 37 LEU HD2 H 0.846 0.030 1 409 37 37 LEU HG H 1.572 0.030 1 410 37 37 LEU C C 174.030 0.300 1 411 37 37 LEU CA C 53.845 0.300 1 412 37 37 LEU CB C 44.684 0.300 1 413 37 37 LEU CD1 C 24.347 0.300 2 414 37 37 LEU CD2 C 25.943 0.300 2 415 37 37 LEU CG C 28.055 0.300 1 416 37 37 LEU N N 127.227 0.300 1 417 38 38 ILE H H 9.179 0.030 1 418 38 38 ILE HA H 4.591 0.030 1 419 38 38 ILE HB H 1.533 0.030 1 420 38 38 ILE HD1 H 0.332 0.030 1 421 38 38 ILE HG12 H 0.563 0.030 2 422 38 38 ILE HG13 H 1.282 0.030 2 423 38 38 ILE HG2 H 0.642 0.030 1 424 38 38 ILE C C 173.081 0.300 1 425 38 38 ILE CA C 59.855 0.300 1 426 38 38 ILE CB C 40.797 0.300 1 427 38 38 ILE CD1 C 13.237 0.300 1 428 38 38 ILE CG1 C 27.625 0.300 1 429 38 38 ILE CG2 C 17.183 0.300 1 430 38 38 ILE N N 127.483 0.300 1 431 39 39 TYR H H 7.521 0.030 1 432 39 39 TYR HA H 5.835 0.030 1 433 39 39 TYR HB2 H 1.524 0.030 2 434 39 39 TYR HB3 H 1.444 0.030 2 435 39 39 TYR HD1 H 6.392 0.030 1 436 39 39 TYR HD2 H 6.392 0.030 1 437 39 39 TYR HE1 H 6.330 0.030 1 438 39 39 TYR HE2 H 6.330 0.030 1 439 39 39 TYR C C 175.360 0.300 1 440 39 39 TYR CA C 52.314 0.300 1 441 39 39 TYR CB C 38.487 0.300 1 442 39 39 TYR CD1 C 134.468 0.300 1 443 39 39 TYR CD2 C 134.468 0.300 1 444 39 39 TYR CE1 C 117.254 0.300 1 445 39 39 TYR CE2 C 117.254 0.300 1 446 39 39 TYR N N 119.952 0.300 1 447 40 40 TYR H H 9.259 0.030 1 448 40 40 TYR HA H 5.256 0.030 1 449 40 40 TYR HB2 H 3.467 0.030 2 450 40 40 TYR HB3 H 3.033 0.030 2 451 40 40 TYR HD1 H 6.646 0.030 1 452 40 40 TYR HD2 H 6.646 0.030 1 453 40 40 TYR HE1 H 7.192 0.030 1 454 40 40 TYR HE2 H 7.192 0.030 1 455 40 40 TYR C C 176.911 0.300 1 456 40 40 TYR CA C 56.308 0.300 1 457 40 40 TYR CB C 44.078 0.300 1 458 40 40 TYR N N 117.577 0.300 1 459 41 41 ASP H H 8.717 0.030 1 460 41 41 ASP HA H 4.662 0.030 1 461 41 41 ASP HB2 H 2.913 0.030 2 462 41 41 ASP HB3 H 2.801 0.030 2 463 41 41 ASP C C 175.391 0.300 1 464 41 41 ASP CA C 57.737 0.300 1 465 41 41 ASP CB C 41.982 0.300 1 466 41 41 ASP N N 121.204 0.300 1 467 42 42 ASP H H 7.880 0.030 1 468 42 42 ASP HA H 4.977 0.030 1 469 42 42 ASP HB2 H 3.227 0.030 2 470 42 42 ASP HB3 H 3.383 0.030 2 471 42 42 ASP C C 175.284 0.300 1 472 42 42 ASP CA C 53.300 0.300 1 473 42 42 ASP CB C 42.058 0.300 1 474 42 42 ASP N N 109.694 0.300 1 475 43 43 GLN H H 8.181 0.030 1 476 43 43 GLN HA H 2.757 0.030 1 477 43 43 GLN HB2 H 1.237 0.030 2 478 43 43 GLN HB3 H 0.792 0.030 2 479 43 43 GLN HE21 H 6.880 0.030 2 480 43 43 GLN HE22 H 6.829 0.030 2 481 43 43 GLN HG2 H 1.550 0.030 2 482 43 43 GLN HG3 H 1.363 0.030 2 483 43 43 GLN C C 175.780 0.300 1 484 43 43 GLN CA C 56.735 0.300 1 485 43 43 GLN CB C 27.279 0.300 1 486 43 43 GLN CG C 32.672 0.300 1 487 43 43 GLN N N 116.783 0.300 1 488 43 43 GLN NE2 N 111.559 0.300 1 489 44 44 THR H H 8.278 0.030 1 490 44 44 THR HA H 3.950 0.030 1 491 44 44 THR HB H 4.220 0.030 1 492 44 44 THR HG2 H 1.167 0.030 1 493 44 44 THR C C 175.922 0.300 1 494 44 44 THR CA C 63.378 0.300 1 495 44 44 THR CB C 69.600 0.300 1 496 44 44 THR CG2 C 21.548 0.300 1 497 44 44 THR N N 111.499 0.300 1 498 45 45 ARG H H 7.390 0.030 1 499 45 45 ARG HA H 2.774 0.030 1 500 45 45 ARG HB2 H 1.611 0.030 2 501 45 45 ARG HB3 H 1.046 0.030 2 502 45 45 ARG HD2 H 2.751 0.030 2 503 45 45 ARG HD3 H 2.912 0.030 2 504 45 45 ARG HE H 10.198 0.030 1 505 45 45 ARG HG2 H 0.170 0.030 2 506 45 45 ARG HG3 H 0.883 0.030 2 507 45 45 ARG C C 174.696 0.300 1 508 45 45 ARG CA C 57.534 0.300 1 509 45 45 ARG CB C 26.490 0.300 1 510 45 45 ARG CD C 43.598 0.300 1 511 45 45 ARG CG C 28.036 0.300 1 512 45 45 ARG N N 112.349 0.300 1 513 45 45 ARG NE N 89.795 0.300 1 514 46 46 GLN H H 7.875 0.030 1 515 46 46 GLN HA H 4.211 0.030 1 516 46 46 GLN HB2 H 2.130 0.030 2 517 46 46 GLN HB3 H 1.931 0.030 2 518 46 46 GLN HE21 H 7.486 0.030 2 519 46 46 GLN HE22 H 6.830 0.030 2 520 46 46 GLN HG2 H 2.334 0.030 2 521 46 46 GLN HG3 H 2.243 0.030 2 522 46 46 GLN C C 177.021 0.300 1 523 46 46 GLN CA C 57.592 0.300 1 524 46 46 GLN CB C 30.347 0.300 1 525 46 46 GLN CG C 34.367 0.300 1 526 46 46 GLN N N 116.768 0.300 1 527 46 46 GLN NE2 N 112.316 0.300 1 528 47 47 SER H H 8.123 0.030 1 529 47 47 SER HA H 4.842 0.030 1 530 47 47 SER HB2 H 3.900 0.030 2 531 47 47 SER HB3 H 3.660 0.030 2 532 47 47 SER C C 173.502 0.300 1 533 47 47 SER CA C 56.501 0.300 1 534 47 47 SER CB C 63.670 0.300 1 535 47 47 SER N N 114.137 0.300 1 536 48 48 ILE H H 8.692 0.030 1 537 48 48 ILE HA H 3.576 0.030 1 538 48 48 ILE HB H 1.582 0.030 1 539 48 48 ILE HD1 H 0.772 0.030 1 540 48 48 ILE HG12 H 0.678 0.030 2 541 48 48 ILE HG13 H 1.509 0.030 2 542 48 48 ILE HG2 H 0.466 0.030 1 543 48 48 ILE C C 176.382 0.300 1 544 48 48 ILE CA C 62.745 0.300 1 545 48 48 ILE CB C 39.363 0.300 1 546 48 48 ILE CD1 C 13.950 0.300 1 547 48 48 ILE CG1 C 29.441 0.300 1 548 48 48 ILE CG2 C 16.347 0.300 1 549 48 48 ILE N N 128.190 0.300 1 550 49 49 GLU H H 9.264 0.030 1 551 49 49 GLU HA H 4.340 0.030 1 552 49 49 GLU HB2 H 1.501 0.030 2 553 49 49 GLU HB3 H 1.632 0.030 2 554 49 49 GLU HG2 H 2.108 0.030 2 555 49 49 GLU HG3 H 2.052 0.030 2 556 49 49 GLU C C 175.493 0.300 1 557 49 49 GLU CA C 57.591 0.300 1 558 49 49 GLU CB C 30.512 0.300 1 559 49 49 GLU CG C 34.715 0.300 1 560 49 49 GLU N N 129.186 0.300 1 561 50 50 ASP H H 6.651 0.030 1 562 50 50 ASP HA H 4.132 0.030 1 563 50 50 ASP HB2 H 2.367 0.030 2 564 50 50 ASP HB3 H 2.199 0.030 2 565 50 50 ASP C C 171.424 0.300 1 566 50 50 ASP CA C 52.561 0.300 1 567 50 50 ASP CB C 43.895 0.300 1 568 50 50 ASP N N 115.102 0.300 1 569 51 51 LYS H H 8.464 0.030 1 570 51 51 LYS HA H 5.072 0.030 1 571 51 51 LYS HB2 H 1.571 0.030 2 572 51 51 LYS HB3 H 1.446 0.030 2 573 51 51 LYS HD2 H 1.298 0.030 1 574 51 51 LYS HD3 H 1.298 0.030 1 575 51 51 LYS HE2 H 2.612 0.030 1 576 51 51 LYS HE3 H 2.612 0.030 1 577 51 51 LYS HG2 H 1.071 0.030 2 578 51 51 LYS HG3 H 1.163 0.030 2 579 51 51 LYS C C 174.737 0.300 1 580 51 51 LYS CA C 54.742 0.300 1 581 51 51 LYS CB C 36.494 0.300 1 582 51 51 LYS CD C 29.927 0.300 1 583 51 51 LYS CE C 41.740 0.300 1 584 51 51 LYS CG C 23.514 0.300 1 585 51 51 LYS N N 113.767 0.300 1 586 52 52 VAL H H 9.240 0.030 1 587 52 52 VAL HA H 4.423 0.030 1 588 52 52 VAL HB H 2.135 0.030 1 589 52 52 VAL HG1 H 0.999 0.030 1 590 52 52 VAL HG2 H 0.962 0.030 1 591 52 52 VAL C C 174.222 0.300 1 592 52 52 VAL CA C 60.652 0.300 1 593 52 52 VAL CB C 36.163 0.300 1 594 52 52 VAL CG1 C 22.488 0.300 2 595 52 52 VAL CG2 C 21.094 0.300 2 596 52 52 VAL N N 121.069 0.300 1 597 53 53 HIS H H 9.831 0.030 1 598 53 53 HIS HA H 4.709 0.030 1 599 53 53 HIS HB2 H 3.232 0.030 2 600 53 53 HIS HB3 H 2.612 0.030 2 601 53 53 HIS HD2 H 5.627 0.030 1 602 53 53 HIS HE1 H 7.684 0.030 1 603 53 53 HIS C C 174.952 0.300 1 604 53 53 HIS CA C 54.303 0.300 1 605 53 53 HIS CB C 30.805 0.300 1 606 53 53 HIS CD2 C 114.653 0.300 1 607 53 53 HIS CE1 C 138.386 0.300 1 608 53 53 HIS N N 128.522 0.300 1 609 54 54 MET H H 8.453 0.030 1 610 54 54 MET HA H 4.294 0.030 1 611 54 54 MET HB2 H 1.584 0.030 2 612 54 54 MET HB3 H 2.452 0.030 2 613 54 54 MET HE H 1.965 0.030 1 614 54 54 MET HG2 H 3.013 0.030 2 615 54 54 MET HG3 H 2.581 0.030 2 616 54 54 MET C C 175.096 0.300 1 617 54 54 MET CA C 58.612 0.300 1 618 54 54 MET CB C 27.776 0.300 1 619 54 54 MET CE C 18.001 0.300 1 620 54 54 MET CG C 32.244 0.300 1 621 54 54 MET N N 126.204 0.300 1 622 55 55 PRO HA H 4.525 0.030 1 623 55 55 PRO HB2 H 2.323 0.030 2 624 55 55 PRO HB3 H 1.546 0.030 2 625 55 55 PRO HD2 H 3.542 0.030 2 626 55 55 PRO HD3 H 2.322 0.030 2 627 55 55 PRO HG2 H 2.100 0.030 2 628 55 55 PRO HG3 H 1.522 0.030 2 629 55 55 PRO C C 176.519 0.300 1 630 55 55 PRO CA C 65.736 0.300 1 631 55 55 PRO CB C 31.963 0.300 1 632 55 55 PRO CD C 50.076 0.300 1 633 55 55 PRO CG C 27.785 0.300 1 634 56 56 VAL H H 6.573 0.030 1 635 56 56 VAL HA H 4.112 0.030 1 636 56 56 VAL HB H 1.907 0.030 1 637 56 56 VAL HG1 H 0.963 0.030 1 638 56 56 VAL HG2 H 0.900 0.030 1 639 56 56 VAL C C 176.610 0.300 1 640 56 56 VAL CA C 63.361 0.300 1 641 56 56 VAL CB C 34.458 0.300 1 642 56 56 VAL CG1 C 21.015 0.300 2 643 56 56 VAL CG2 C 22.109 0.300 2 644 56 56 VAL N N 113.059 0.300 1 645 57 57 ASP H H 8.635 0.030 1 646 57 57 ASP HA H 4.689 0.030 1 647 57 57 ASP HB2 H 2.810 0.030 2 648 57 57 ASP HB3 H 2.464 0.030 2 649 57 57 ASP C C 176.728 0.300 1 650 57 57 ASP CA C 56.396 0.300 1 651 57 57 ASP CB C 43.050 0.300 1 652 57 57 ASP N N 116.812 0.300 1 653 58 58 CYS H H 7.401 0.030 1 654 58 58 CYS HA H 4.555 0.030 1 655 58 58 CYS HB2 H 3.084 0.030 2 656 58 58 CYS HB3 H 2.944 0.030 2 657 58 58 CYS C C 175.023 0.300 1 658 58 58 CYS CA C 59.753 0.300 1 659 58 58 CYS CB C 28.119 0.300 1 660 58 58 CYS N N 115.879 0.300 1 661 59 59 ILE H H 9.395 0.030 1 662 59 59 ILE HA H 4.494 0.030 1 663 59 59 ILE HB H 1.871 0.030 1 664 59 59 ILE HD1 H 0.786 0.030 1 665 59 59 ILE HG12 H 1.230 0.030 2 666 59 59 ILE HG13 H 0.832 0.030 2 667 59 59 ILE HG2 H 0.853 0.030 1 668 59 59 ILE C C 175.567 0.300 1 669 59 59 ILE CA C 61.426 0.300 1 670 59 59 ILE CB C 39.434 0.300 1 671 59 59 ILE CD1 C 13.546 0.300 1 672 59 59 ILE CG1 C 26.937 0.300 1 673 59 59 ILE CG2 C 17.742 0.300 1 674 59 59 ILE N N 125.322 0.300 1 675 60 60 ASN H H 7.952 0.030 1 676 60 60 ASN HA H 4.768 0.030 1 677 60 60 ASN HB2 H 2.827 0.030 2 678 60 60 ASN HB3 H 2.346 0.030 2 679 60 60 ASN HD21 H 7.462 0.030 2 680 60 60 ASN HD22 H 6.852 0.030 2 681 60 60 ASN C C 172.696 0.300 1 682 60 60 ASN CA C 53.298 0.300 1 683 60 60 ASN CB C 41.735 0.300 1 684 60 60 ASN N N 118.689 0.300 1 685 60 60 ASN ND2 N 111.137 0.300 1 686 61 61 ILE H H 8.132 0.030 1 687 61 61 ILE HA H 4.906 0.030 1 688 61 61 ILE HB H 1.616 0.030 1 689 61 61 ILE HD1 H 0.763 0.030 1 690 61 61 ILE HG12 H 0.856 0.030 2 691 61 61 ILE HG13 H 1.472 0.030 2 692 61 61 ILE HG2 H 0.700 0.030 1 693 61 61 ILE C C 174.987 0.300 1 694 61 61 ILE CA C 60.617 0.300 1 695 61 61 ILE CB C 40.748 0.300 1 696 61 61 ILE CD1 C 14.524 0.300 1 697 61 61 ILE CG1 C 28.632 0.300 1 698 61 61 ILE CG2 C 17.184 0.300 1 699 61 61 ILE N N 121.916 0.300 1 700 62 62 ARG H H 9.014 0.030 1 701 62 62 ARG HA H 4.872 0.030 1 702 62 62 ARG HB2 H 1.686 0.030 2 703 62 62 ARG HB3 H 1.562 0.030 2 704 62 62 ARG HD2 H 3.212 0.030 2 705 62 62 ARG HD3 H 3.092 0.030 2 706 62 62 ARG HG2 H 1.562 0.030 2 707 62 62 ARG HG3 H 1.352 0.030 2 708 62 62 ARG C C 175.036 0.300 1 709 62 62 ARG CA C 53.792 0.300 1 710 62 62 ARG CB C 34.031 0.300 1 711 62 62 ARG CD C 43.905 0.300 1 712 62 62 ARG CG C 27.296 0.300 1 713 62 62 ARG N N 126.376 0.300 1 714 63 63 THR H H 8.800 0.030 1 715 63 63 THR HA H 4.901 0.030 1 716 63 63 THR HB H 4.073 0.030 1 717 63 63 THR HG2 H 1.055 0.030 1 718 63 63 THR C C 175.895 0.300 1 719 63 63 THR CA C 60.531 0.300 1 720 63 63 THR CB C 72.275 0.300 1 721 63 63 THR CG2 C 22.572 0.300 1 722 63 63 THR N N 111.863 0.300 1 723 64 64 GLY H H 8.967 0.030 1 724 64 64 GLY HA2 H 3.959 0.030 2 725 64 64 GLY HA3 H 4.314 0.030 2 726 64 64 GLY C C 177.300 0.300 1 727 64 64 GLY CA C 47.319 0.300 1 728 64 64 GLY N N 110.877 0.300 1 729 65 65 HIS HA H 4.151 0.030 1 730 65 65 HIS HB2 H 3.199 0.030 2 731 65 65 HIS HB3 H 3.132 0.030 2 732 65 65 HIS HD2 H 7.062 0.030 1 733 65 65 HIS HE1 H 7.815 0.030 1 734 65 65 HIS C C 175.632 0.300 1 735 65 65 HIS CA C 58.999 0.300 1 736 65 65 HIS CB C 30.176 0.300 1 737 65 65 HIS CD2 C 119.139 0.300 1 738 65 65 HIS CE1 C 138.593 0.300 1 739 66 66 GLU H H 7.922 0.030 1 740 66 66 GLU HA H 4.092 0.030 1 741 66 66 GLU HB2 H 2.203 0.030 2 742 66 66 GLU HB3 H 2.037 0.030 2 743 66 66 GLU HG2 H 2.328 0.030 2 744 66 66 GLU HG3 H 2.232 0.030 2 745 66 66 GLU C C 178.091 0.300 1 746 66 66 GLU CA C 56.888 0.300 1 747 66 66 GLU CB C 31.115 0.300 1 748 66 66 GLU CG C 36.258 0.300 1 749 66 66 GLU N N 116.921 0.300 1 750 67 67 CYS H H 7.509 0.030 1 751 67 67 CYS HA H 3.962 0.030 1 752 67 67 CYS HB2 H 2.772 0.030 2 753 67 67 CYS HB3 H 2.282 0.030 2 754 67 67 CYS C C 174.677 0.300 1 755 67 67 CYS CA C 59.843 0.300 1 756 67 67 CYS CB C 26.426 0.300 1 757 67 67 CYS N N 116.487 0.300 1 758 68 68 ARG H H 8.115 0.030 1 759 68 68 ARG HA H 4.442 0.030 1 760 68 68 ARG HB2 H 1.792 0.030 2 761 68 68 ARG HB3 H 1.621 0.030 2 762 68 68 ARG HD2 H 3.131 0.030 1 763 68 68 ARG HD3 H 3.131 0.030 1 764 68 68 ARG HG2 H 1.624 0.030 2 765 68 68 ARG HG3 H 1.551 0.030 2 766 68 68 ARG C C 175.992 0.300 1 767 68 68 ARG CA C 55.483 0.300 1 768 68 68 ARG CB C 32.909 0.300 1 769 68 68 ARG CD C 43.265 0.300 1 770 68 68 ARG CG C 26.803 0.300 1 771 68 68 ARG N N 121.059 0.300 1 772 69 69 ASP H H 8.870 0.030 1 773 69 69 ASP HA H 4.269 0.030 1 774 69 69 ASP HB2 H 2.768 0.030 2 775 69 69 ASP HB3 H 2.692 0.030 2 776 69 69 ASP C C 174.605 0.300 1 777 69 69 ASP CA C 55.335 0.300 1 778 69 69 ASP CB C 39.625 0.300 1 779 69 69 ASP N N 118.049 0.300 1 780 70 70 ILE H H 7.514 0.030 1 781 70 70 ILE HA H 4.659 0.030 1 782 70 70 ILE HB H 1.732 0.030 1 783 70 70 ILE HD1 H 0.895 0.030 1 784 70 70 ILE HG12 H 1.002 0.030 2 785 70 70 ILE HG13 H 1.338 0.030 2 786 70 70 ILE HG2 H 0.696 0.030 1 787 70 70 ILE C C 173.116 0.300 1 788 70 70 ILE CA C 58.806 0.300 1 789 70 70 ILE CB C 42.116 0.300 1 790 70 70 ILE CD1 C 14.827 0.300 1 791 70 70 ILE CG1 C 26.578 0.300 1 792 70 70 ILE CG2 C 18.468 0.300 1 793 70 70 ILE N N 113.390 0.300 1 794 71 71 GLN H H 8.339 0.030 1 795 71 71 GLN HA H 4.848 0.030 1 796 71 71 GLN HB2 H 2.142 0.030 2 797 71 71 GLN HB3 H 1.904 0.030 2 798 71 71 GLN HE21 H 7.571 0.030 2 799 71 71 GLN HE22 H 6.872 0.030 2 800 71 71 GLN HG2 H 2.422 0.030 1 801 71 71 GLN HG3 H 2.422 0.030 1 802 71 71 GLN C C 173.376 0.300 1 803 71 71 GLN CA C 52.033 0.300 1 804 71 71 GLN CB C 29.913 0.300 1 805 71 71 GLN CG C 32.988 0.300 1 806 71 71 GLN N N 123.374 0.300 1 807 71 71 GLN NE2 N 112.626 0.300 1 808 72 72 PRO HA H 4.269 0.030 1 809 72 72 PRO HB2 H 1.962 0.030 2 810 72 72 PRO HB3 H 1.662 0.030 2 811 72 72 PRO HD2 H 3.538 0.030 2 812 72 72 PRO HD3 H 3.765 0.030 2 813 72 72 PRO HG2 H 2.051 0.030 2 814 72 72 PRO HG3 H 1.674 0.030 2 815 72 72 PRO CA C 61.160 0.300 1 816 72 72 PRO CB C 30.229 0.300 1 817 72 72 PRO CD C 50.031 0.300 1 818 72 72 PRO CG C 27.378 0.300 1 819 73 73 PRO HA H 4.200 0.030 1 820 73 73 PRO HB2 H 1.457 0.030 2 821 73 73 PRO HB3 H 1.382 0.030 2 822 73 73 PRO HD2 H 2.812 0.030 2 823 73 73 PRO HD3 H 1.832 0.030 2 824 73 73 PRO HG2 H 0.185 0.030 2 825 73 73 PRO HG3 H 1.163 0.030 2 826 73 73 PRO C C 175.585 0.300 1 827 73 73 PRO CA C 62.130 0.300 1 828 73 73 PRO CB C 30.781 0.300 1 829 73 73 PRO CD C 49.358 0.300 1 830 73 73 PRO CG C 26.194 0.300 1 831 74 74 ASP H H 8.203 0.030 1 832 74 74 ASP HA H 4.226 0.030 1 833 74 74 ASP HB2 H 2.478 0.030 2 834 74 74 ASP HB3 H 2.596 0.030 2 835 74 74 ASP C C 177.084 0.300 1 836 74 74 ASP CA C 55.987 0.300 1 837 74 74 ASP CB C 40.618 0.300 1 838 74 74 ASP N N 118.534 0.300 1 839 75 75 GLY H H 8.602 0.030 1 840 75 75 GLY HA2 H 4.092 0.030 2 841 75 75 GLY HA3 H 3.634 0.030 2 842 75 75 GLY C C 174.444 0.300 1 843 75 75 GLY CA C 45.402 0.300 1 844 75 75 GLY N N 110.695 0.300 1 845 76 76 LYS H H 7.844 0.030 1 846 76 76 LYS HA H 4.733 0.030 1 847 76 76 LYS HB2 H 1.364 0.030 2 848 76 76 LYS HB3 H 1.548 0.030 2 849 76 76 LYS HD2 H 1.472 0.030 2 850 76 76 LYS HD3 H 1.579 0.030 2 851 76 76 LYS HE2 H 2.762 0.030 2 852 76 76 LYS HE3 H 2.942 0.030 2 853 76 76 LYS HG2 H 1.153 0.030 1 854 76 76 LYS HG3 H 1.153 0.030 1 855 76 76 LYS C C 173.618 0.300 1 856 76 76 LYS CA C 51.901 0.300 1 857 76 76 LYS CB C 32.451 0.300 1 858 76 76 LYS CD C 28.145 0.300 1 859 76 76 LYS CE C 42.448 0.300 1 860 76 76 LYS CG C 24.527 0.300 1 861 76 76 LYS N N 120.474 0.300 1 862 77 77 PRO HA H 4.595 0.030 1 863 77 77 PRO HB2 H 2.335 0.030 2 864 77 77 PRO HB3 H 2.112 0.030 2 865 77 77 PRO HD2 H 3.799 0.030 2 866 77 77 PRO HD3 H 3.703 0.030 2 867 77 77 PRO HG2 H 1.992 0.030 2 868 77 77 PRO HG3 H 2.082 0.030 2 869 77 77 PRO C C 177.459 0.300 1 870 77 77 PRO CA C 61.587 0.300 1 871 77 77 PRO CB C 32.548 0.300 1 872 77 77 PRO CD C 50.350 0.300 1 873 77 77 PRO CG C 27.449 0.300 1 874 78 78 ARG H H 8.811 0.030 1 875 78 78 ARG HA H 3.571 0.030 1 876 78 78 ARG HB2 H 1.512 0.030 2 877 78 78 ARG HB3 H 1.410 0.030 2 878 78 78 ARG HD2 H 3.119 0.030 2 879 78 78 ARG HD3 H 3.030 0.030 2 880 78 78 ARG HG2 H 1.633 0.030 2 881 78 78 ARG HG3 H 1.252 0.030 2 882 78 78 ARG C C 177.280 0.300 1 883 78 78 ARG CA C 59.280 0.300 1 884 78 78 ARG CB C 29.443 0.300 1 885 78 78 ARG CD C 43.000 0.300 1 886 78 78 ARG CG C 28.365 0.300 1 887 78 78 ARG N N 119.648 0.300 1 888 79 79 ASP H H 8.078 0.030 1 889 79 79 ASP HA H 4.309 0.030 1 890 79 79 ASP HB2 H 2.819 0.030 2 891 79 79 ASP HB3 H 2.471 0.030 2 892 79 79 ASP C C 175.677 0.300 1 893 79 79 ASP CA C 55.824 0.300 1 894 79 79 ASP CB C 41.242 0.300 1 895 79 79 ASP N N 112.946 0.300 1 896 80 80 CYS H H 7.310 0.030 1 897 80 80 CYS HA H 4.086 0.030 1 898 80 80 CYS HB2 H 3.260 0.030 2 899 80 80 CYS HB3 H 2.684 0.030 2 900 80 80 CYS C C 173.562 0.300 1 901 80 80 CYS CA C 61.426 0.300 1 902 80 80 CYS CB C 28.746 0.300 1 903 80 80 CYS N N 113.173 0.300 1 904 81 81 LEU H H 7.550 0.030 1 905 81 81 LEU HA H 4.859 0.030 1 906 81 81 LEU HB2 H 2.032 0.030 2 907 81 81 LEU HB3 H 1.462 0.030 2 908 81 81 LEU HD1 H 0.744 0.030 1 909 81 81 LEU HD2 H 0.722 0.030 1 910 81 81 LEU HG H 1.650 0.030 1 911 81 81 LEU C C 175.894 0.300 1 912 81 81 LEU CA C 55.006 0.300 1 913 81 81 LEU CB C 45.106 0.300 1 914 81 81 LEU CD1 C 26.639 0.300 2 915 81 81 LEU CD2 C 23.465 0.300 2 916 81 81 LEU CG C 26.585 0.300 1 917 81 81 LEU N N 118.680 0.300 1 918 82 82 LEU H H 8.617 0.030 1 919 82 82 LEU HA H 4.862 0.030 1 920 82 82 LEU HB2 H 1.546 0.030 2 921 82 82 LEU HB3 H 1.324 0.030 2 922 82 82 LEU HD1 H 0.671 0.030 1 923 82 82 LEU HD2 H 0.616 0.030 1 924 82 82 LEU HG H 1.556 0.030 1 925 82 82 LEU C C 174.937 0.300 1 926 82 82 LEU CA C 55.253 0.300 1 927 82 82 LEU CB C 46.176 0.300 1 928 82 82 LEU CD1 C 26.392 0.300 2 929 82 82 LEU CD2 C 26.057 0.300 2 930 82 82 LEU CG C 27.345 0.300 1 931 82 82 LEU N N 120.902 0.300 1 932 83 83 GLN H H 9.301 0.030 1 933 83 83 GLN HA H 5.493 0.030 1 934 83 83 GLN HB2 H 1.855 0.030 2 935 83 83 GLN HB3 H 1.522 0.030 2 936 83 83 GLN HE21 H 7.524 0.030 2 937 83 83 GLN HE22 H 7.801 0.030 2 938 83 83 GLN HG2 H 2.393 0.030 1 939 83 83 GLN HG3 H 2.393 0.030 1 940 83 83 GLN C C 174.720 0.300 1 941 83 83 GLN CA C 53.951 0.300 1 942 83 83 GLN CB C 33.924 0.300 1 943 83 83 GLN CG C 34.864 0.300 1 944 83 83 GLN N N 120.080 0.300 1 945 83 83 GLN NE2 N 115.199 0.300 1 946 84 84 ILE H H 8.941 0.030 1 947 84 84 ILE HA H 4.201 0.030 1 948 84 84 ILE HB H 1.821 0.030 1 949 84 84 ILE HD1 H 0.664 0.030 1 950 84 84 ILE HG12 H 1.462 0.030 2 951 84 84 ILE HG13 H 0.722 0.030 2 952 84 84 ILE HG2 H 0.912 0.030 1 953 84 84 ILE C C 174.415 0.300 1 954 84 84 ILE CA C 60.976 0.300 1 955 84 84 ILE CB C 39.665 0.300 1 956 84 84 ILE CD1 C 14.552 0.300 1 957 84 84 ILE CG1 C 27.378 0.300 1 958 84 84 ILE CG2 C 18.188 0.300 1 959 84 84 ILE N N 123.706 0.300 1 960 85 85 VAL H H 8.699 0.030 1 961 85 85 VAL HA H 4.318 0.030 1 962 85 85 VAL HB H 1.948 0.030 1 963 85 85 VAL HG1 H 0.920 0.030 1 964 85 85 VAL HG2 H 0.742 0.030 1 965 85 85 VAL C C 176.543 0.300 1 966 85 85 VAL CA C 62.640 0.300 1 967 85 85 VAL CB C 32.198 0.300 1 968 85 85 VAL CG1 C 20.910 0.300 2 969 85 85 VAL CG2 C 19.642 0.300 2 970 85 85 VAL N N 129.125 0.300 1 971 86 86 CYS H H 8.921 0.030 1 972 86 86 CYS HA H 5.600 0.030 1 973 86 86 CYS HB2 H 3.303 0.030 2 974 86 86 CYS HB3 H 3.134 0.030 2 975 86 86 CYS C C 175.653 0.300 1 976 86 86 CYS CA C 58.119 0.300 1 977 86 86 CYS CB C 30.510 0.300 1 978 86 86 CYS N N 125.388 0.300 1 979 87 87 ARG H H 8.652 0.030 1 980 87 87 ARG HA H 4.061 0.030 1 981 87 87 ARG HB2 H 1.921 0.030 1 982 87 87 ARG HB3 H 1.921 0.030 1 983 87 87 ARG HD2 H 3.328 0.030 1 984 87 87 ARG HD3 H 3.328 0.030 1 985 87 87 ARG HE H 7.270 0.030 1 986 87 87 ARG HG2 H 1.742 0.030 1 987 87 87 ARG HG3 H 1.742 0.030 1 988 87 87 ARG CA C 58.401 0.300 1 989 87 87 ARG CB C 30.689 0.300 1 990 87 87 ARG CD C 43.289 0.300 1 991 87 87 ARG CG C 27.810 0.300 1 992 87 87 ARG NE N 83.986 0.300 1 993 88 88 ASP H H 8.556 0.030 1 994 88 88 ASP HA H 4.432 0.030 1 995 88 88 ASP HB2 H 2.910 0.030 2 996 88 88 ASP HB3 H 2.753 0.030 2 997 88 88 ASP CA C 54.298 0.300 1 998 88 88 ASP CB C 39.663 0.300 1 999 88 88 ASP N N 116.843 0.300 1 1000 89 89 GLY H H 8.082 0.030 1 1001 89 89 GLY HA2 H 3.654 0.030 2 1002 89 89 GLY HA3 H 4.232 0.030 2 1003 89 89 GLY CA C 45.349 0.300 1 1004 89 89 GLY N N 106.571 0.300 1 1005 90 90 LYS H H 7.481 0.030 1 1006 90 90 LYS HA H 4.334 0.030 1 1007 90 90 LYS HB2 H 1.855 0.030 2 1008 90 90 LYS HB3 H 1.734 0.030 2 1009 90 90 LYS HD2 H 1.712 0.030 1 1010 90 90 LYS HD3 H 1.712 0.030 1 1011 90 90 LYS HE2 H 2.939 0.030 1 1012 90 90 LYS HE3 H 2.939 0.030 1 1013 90 90 LYS HG2 H 1.443 0.030 2 1014 90 90 LYS HG3 H 1.202 0.030 2 1015 90 90 LYS C C 175.034 0.300 1 1016 90 90 LYS CA C 56.807 0.300 1 1017 90 90 LYS CB C 33.327 0.300 1 1018 90 90 LYS CD C 29.785 0.300 1 1019 90 90 LYS CE C 41.755 0.300 1 1020 90 90 LYS CG C 24.874 0.300 1 1021 91 91 THR H H 8.549 0.030 1 1022 91 91 THR HA H 5.079 0.030 1 1023 91 91 THR HB H 3.870 0.030 1 1024 91 91 THR HG2 H 0.940 0.030 1 1025 91 91 THR C C 173.928 0.300 1 1026 91 91 THR CA C 61.672 0.300 1 1027 91 91 THR CB C 71.087 0.300 1 1028 91 91 THR CG2 C 21.708 0.300 1 1029 91 91 THR N N 121.299 0.300 1 1030 92 92 ILE H H 9.170 0.030 1 1031 92 92 ILE HA H 4.222 0.030 1 1032 92 92 ILE HB H 1.774 0.030 1 1033 92 92 ILE HD1 H 0.858 0.030 1 1034 92 92 ILE HG12 H 1.140 0.030 2 1035 92 92 ILE HG13 H 1.450 0.030 2 1036 92 92 ILE HG2 H 0.681 0.030 1 1037 92 92 ILE C C 175.221 0.300 1 1038 92 92 ILE CA C 60.776 0.300 1 1039 92 92 ILE CB C 39.515 0.300 1 1040 92 92 ILE CD1 C 14.904 0.300 1 1041 92 92 ILE CG1 C 27.154 0.300 1 1042 92 92 ILE CG2 C 17.183 0.300 1 1043 92 92 ILE N N 129.582 0.300 1 1044 93 93 SER H H 9.133 0.030 1 1045 93 93 SER HA H 4.981 0.030 1 1046 93 93 SER HB2 H 3.619 0.030 1 1047 93 93 SER HB3 H 3.619 0.030 1 1048 93 93 SER C C 171.867 0.300 1 1049 93 93 SER CA C 59.421 0.300 1 1050 93 93 SER CB C 63.729 0.300 1 1051 93 93 SER N N 125.867 0.300 1 1052 94 94 LEU H H 9.374 0.030 1 1053 94 94 LEU HA H 5.840 0.030 1 1054 94 94 LEU HB2 H 1.646 0.030 2 1055 94 94 LEU HB3 H 0.973 0.030 2 1056 94 94 LEU HD1 H 0.123 0.030 1 1057 94 94 LEU HD2 H 0.433 0.030 1 1058 94 94 LEU HG H 1.269 0.030 1 1059 94 94 LEU C C 175.925 0.300 1 1060 94 94 LEU CA C 53.035 0.300 1 1061 94 94 LEU CB C 45.998 0.300 1 1062 94 94 LEU CD1 C 23.763 0.300 2 1063 94 94 LEU CD2 C 25.161 0.300 2 1064 94 94 LEU CG C 26.639 0.300 1 1065 94 94 LEU N N 124.870 0.300 1 1066 95 95 CYS H H 9.048 0.030 1 1067 95 95 CYS HA H 4.887 0.030 1 1068 95 95 CYS HB2 H 2.232 0.030 2 1069 95 95 CYS HB3 H 1.420 0.030 2 1070 95 95 CYS C C 173.663 0.300 1 1071 95 95 CYS CA C 58.577 0.300 1 1072 95 95 CYS CB C 28.785 0.300 1 1073 95 95 CYS N N 118.823 0.300 1 1074 96 96 ALA H H 8.903 0.030 1 1075 96 96 ALA HA H 4.640 0.030 1 1076 96 96 ALA HB H 1.548 0.030 1 1077 96 96 ALA C C 175.897 0.300 1 1078 96 96 ALA CA C 51.030 0.300 1 1079 96 96 ALA CB C 20.431 0.300 1 1080 96 96 ALA N N 132.999 0.300 1 1081 97 97 GLU H H 9.441 0.030 1 1082 97 97 GLU HA H 4.073 0.030 1 1083 97 97 GLU HB2 H 2.131 0.030 2 1084 97 97 GLU HB3 H 1.922 0.030 2 1085 97 97 GLU HG2 H 2.387 0.030 1 1086 97 97 GLU HG3 H 2.387 0.030 1 1087 97 97 GLU C C 176.464 0.300 1 1088 97 97 GLU CA C 58.032 0.300 1 1089 97 97 GLU CB C 30.700 0.300 1 1090 97 97 GLU CG C 36.252 0.300 1 1091 97 97 GLU N N 115.876 0.300 1 1092 98 98 SER H H 7.574 0.030 1 1093 98 98 SER HA H 4.652 0.030 1 1094 98 98 SER HB2 H 4.253 0.030 2 1095 98 98 SER HB3 H 3.966 0.030 2 1096 98 98 SER C C 174.999 0.300 1 1097 98 98 SER CA C 56.536 0.300 1 1098 98 98 SER CB C 66.849 0.300 1 1099 98 98 SER N N 109.286 0.300 1 1100 99 99 THR H H 9.006 0.030 1 1101 99 99 THR HA H 3.754 0.030 1 1102 99 99 THR HB H 4.142 0.030 1 1103 99 99 THR HG2 H 1.242 0.030 1 1104 99 99 THR C C 176.436 0.300 1 1105 99 99 THR CA C 66.492 0.300 1 1106 99 99 THR CB C 68.025 0.300 1 1107 99 99 THR CG2 C 22.737 0.300 1 1108 99 99 THR N N 118.641 0.300 1 1109 100 100 ASP H H 8.271 0.030 1 1110 100 100 ASP HA H 4.391 0.030 1 1111 100 100 ASP HB2 H 2.634 0.030 2 1112 100 100 ASP HB3 H 2.553 0.030 2 1113 100 100 ASP C C 178.944 0.300 1 1114 100 100 ASP CA C 57.599 0.300 1 1115 100 100 ASP CB C 40.378 0.300 1 1116 100 100 ASP N N 120.654 0.300 1 1117 101 101 ASP H H 7.906 0.030 1 1118 101 101 ASP HA H 4.613 0.030 1 1119 101 101 ASP HB2 H 2.915 0.030 2 1120 101 101 ASP HB3 H 2.842 0.030 2 1121 101 101 ASP C C 177.305 0.300 1 1122 101 101 ASP CA C 56.976 0.300 1 1123 101 101 ASP CB C 42.311 0.300 1 1124 101 101 ASP N N 121.312 0.300 1 1125 102 102 CYS H H 8.133 0.030 1 1126 102 102 CYS HA H 3.830 0.030 1 1127 102 102 CYS HB2 H 3.405 0.030 2 1128 102 102 CYS HB3 H 2.923 0.030 2 1129 102 102 CYS C C 176.045 0.300 1 1130 102 102 CYS CA C 61.686 0.300 1 1131 102 102 CYS CB C 26.167 0.300 1 1132 102 102 CYS N N 119.771 0.300 1 1133 103 103 LEU H H 8.342 0.030 1 1134 103 103 LEU HA H 3.913 0.030 1 1135 103 103 LEU HB2 H 1.871 0.030 2 1136 103 103 LEU HB3 H 1.515 0.030 2 1137 103 103 LEU HD1 H 0.873 0.030 1 1138 103 103 LEU HD2 H 0.930 0.030 1 1139 103 103 LEU HG H 1.842 0.030 1 1140 103 103 LEU C C 178.170 0.300 1 1141 103 103 LEU CA C 57.735 0.300 1 1142 103 103 LEU CB C 41.324 0.300 1 1143 103 103 LEU CD1 C 23.021 0.300 2 1144 103 103 LEU CD2 C 25.241 0.300 2 1145 103 103 LEU CG C 26.954 0.300 1 1146 103 103 LEU N N 117.731 0.300 1 1147 104 104 ALA H H 7.950 0.030 1 1148 104 104 ALA HA H 4.234 0.030 1 1149 104 104 ALA HB H 1.461 0.030 1 1150 104 104 ALA C C 182.366 0.300 1 1151 104 104 ALA CA C 55.181 0.300 1 1152 104 104 ALA CB C 18.144 0.300 1 1153 104 104 ALA N N 120.947 0.300 1 1154 105 105 TRP H H 8.242 0.030 1 1155 105 105 TRP HA H 4.032 0.030 1 1156 105 105 TRP HB2 H 3.204 0.030 2 1157 105 105 TRP HB3 H 2.862 0.030 2 1158 105 105 TRP HD1 H 7.168 0.030 1 1159 105 105 TRP HE1 H 10.630 0.030 1 1160 105 105 TRP HE3 H 7.191 0.030 1 1161 105 105 TRP HH2 H 6.651 0.030 1 1162 105 105 TRP HZ2 H 6.673 0.030 1 1163 105 105 TRP HZ3 H 6.683 0.030 1 1164 105 105 TRP C C 177.644 0.300 1 1165 105 105 TRP CA C 61.704 0.300 1 1166 105 105 TRP CB C 28.803 0.300 1 1167 105 105 TRP CD1 C 127.534 0.300 1 1168 105 105 TRP CE3 C 118.936 0.300 1 1169 105 105 TRP CH2 C 123.985 0.300 1 1170 105 105 TRP CZ2 C 113.658 0.300 1 1171 105 105 TRP CZ3 C 120.747 0.300 1 1172 105 105 TRP N N 119.250 0.300 1 1173 105 105 TRP NE1 N 130.000 0.300 1 1174 106 106 LYS H H 9.034 0.030 1 1175 106 106 LYS HA H 3.591 0.030 1 1176 106 106 LYS HB2 H 1.938 0.030 2 1177 106 106 LYS HB3 H 1.833 0.030 2 1178 106 106 LYS HD2 H 1.372 0.030 2 1179 106 106 LYS HD3 H 1.534 0.030 2 1180 106 106 LYS HE2 H 2.762 0.030 2 1181 106 106 LYS HE3 H 2.598 0.030 2 1182 106 106 LYS HG2 H 1.000 0.030 2 1183 106 106 LYS HG3 H 1.154 0.030 2 1184 106 106 LYS C C 178.118 0.300 1 1185 106 106 LYS CA C 61.283 0.300 1 1186 106 106 LYS CB C 32.115 0.300 1 1187 106 106 LYS CD C 29.681 0.300 1 1188 106 106 LYS CE C 42.178 0.300 1 1189 106 106 LYS CG C 24.583 0.300 1 1190 106 106 LYS N N 120.864 0.300 1 1191 107 107 PHE H H 8.402 0.030 1 1192 107 107 PHE HA H 4.354 0.030 1 1193 107 107 PHE HB2 H 3.299 0.030 2 1194 107 107 PHE HB3 H 3.111 0.030 2 1195 107 107 PHE HD1 H 7.341 0.030 1 1196 107 107 PHE HD2 H 7.341 0.030 1 1197 107 107 PHE HE1 H 7.345 0.030 1 1198 107 107 PHE HE2 H 7.345 0.030 1 1199 107 107 PHE HZ H 7.324 0.030 1 1200 107 107 PHE C C 178.853 0.300 1 1201 107 107 PHE CA C 61.127 0.300 1 1202 107 107 PHE CB C 38.316 0.300 1 1203 107 107 PHE CD1 C 131.701 0.300 1 1204 107 107 PHE CD2 C 131.701 0.300 1 1205 107 107 PHE CE1 C 131.457 0.300 1 1206 107 107 PHE CE2 C 131.457 0.300 1 1207 107 107 PHE CZ C 129.797 0.300 1 1208 107 107 PHE N N 116.120 0.300 1 1209 108 108 THR H H 7.723 0.030 1 1210 108 108 THR HA H 4.042 0.030 1 1211 108 108 THR HB H 3.949 0.030 1 1212 108 108 THR HG2 H 1.153 0.030 1 1213 108 108 THR C C 177.786 0.300 1 1214 108 108 THR CA C 66.351 0.300 1 1215 108 108 THR CB C 68.540 0.300 1 1216 108 108 THR CG2 C 22.820 0.300 1 1217 108 108 THR N N 114.275 0.300 1 1218 109 109 LEU H H 9.213 0.030 1 1219 109 109 LEU HA H 4.223 0.030 1 1220 109 109 LEU HB2 H 2.111 0.030 2 1221 109 109 LEU HB3 H 1.242 0.030 2 1222 109 109 LEU HD1 H 0.732 0.030 1 1223 109 109 LEU HD2 H 1.132 0.030 1 1224 109 109 LEU HG H 2.284 0.030 1 1225 109 109 LEU C C 180.397 0.300 1 1226 109 109 LEU CA C 57.574 0.300 1 1227 109 109 LEU CB C 41.537 0.300 1 1228 109 109 LEU CD1 C 26.169 0.300 2 1229 109 109 LEU CD2 C 23.365 0.300 2 1230 109 109 LEU CG C 27.296 0.300 1 1231 109 109 LEU N N 123.070 0.300 1 1232 110 110 GLN H H 8.750 0.030 1 1233 110 110 GLN HA H 3.972 0.030 1 1234 110 110 GLN HB2 H 2.273 0.030 2 1235 110 110 GLN HB3 H 2.110 0.030 2 1236 110 110 GLN HE21 H 7.413 0.030 2 1237 110 110 GLN HE22 H 6.853 0.030 2 1238 110 110 GLN HG2 H 2.466 0.030 1 1239 110 110 GLN HG3 H 2.466 0.030 1 1240 110 110 GLN C C 179.665 0.300 1 1241 110 110 GLN CA C 59.377 0.300 1 1242 110 110 GLN CB C 27.922 0.300 1 1243 110 110 GLN CG C 33.463 0.300 1 1244 110 110 GLN N N 120.726 0.300 1 1245 110 110 GLN NE2 N 111.121 0.300 1 1246 111 111 ASP H H 7.931 0.030 1 1247 111 111 ASP HA H 4.439 0.030 1 1248 111 111 ASP HB2 H 2.753 0.030 2 1249 111 111 ASP HB3 H 2.674 0.030 2 1250 111 111 ASP C C 178.872 0.300 1 1251 111 111 ASP CA C 57.310 0.300 1 1252 111 111 ASP CB C 40.447 0.300 1 1253 111 111 ASP N N 120.504 0.300 1 1254 112 112 SER H H 7.938 0.030 1 1255 112 112 SER HA H 4.354 0.030 1 1256 112 112 SER HB2 H 4.143 0.030 2 1257 112 112 SER HB3 H 4.062 0.030 2 1258 112 112 SER C C 175.629 0.300 1 1259 112 112 SER CA C 61.338 0.300 1 1260 112 112 SER CB C 64.304 0.300 1 1261 112 112 SER N N 115.968 0.300 1 1262 113 113 ARG H H 7.371 0.030 1 1263 113 113 ARG HA H 3.666 0.030 1 1264 113 113 ARG HB2 H 1.878 0.030 2 1265 113 113 ARG HB3 H 2.192 0.030 2 1266 113 113 ARG HD2 H 3.149 0.030 1 1267 113 113 ARG HD3 H 3.149 0.030 1 1268 113 113 ARG HE H 7.360 0.030 1 1269 113 113 ARG HG2 H 2.132 0.030 2 1270 113 113 ARG HG3 H 1.344 0.030 2 1271 113 113 ARG C C 176.428 0.300 1 1272 113 113 ARG CA C 58.401 0.300 1 1273 113 113 ARG CB C 30.841 0.300 1 1274 113 113 ARG CD C 44.272 0.300 1 1275 113 113 ARG CG C 27.378 0.300 1 1276 113 113 ARG N N 118.739 0.300 1 1277 113 113 ARG NE N 83.903 0.300 1 1278 114 114 THR H H 7.602 0.030 1 1279 114 114 THR HA H 4.473 0.030 1 1280 114 114 THR HB H 4.434 0.030 1 1281 114 114 THR HG2 H 1.220 0.030 1 1282 114 114 THR C C 174.556 0.300 1 1283 114 114 THR CA C 61.602 0.300 1 1284 114 114 THR CB C 69.484 0.300 1 1285 114 114 THR CG2 C 21.541 0.300 1 1286 114 114 THR N N 109.077 0.300 1 1287 115 115 SER H H 7.901 0.030 1 1288 115 115 SER HA H 4.494 0.030 1 1289 115 115 SER HB2 H 3.964 0.030 2 1290 115 115 SER HB3 H 3.851 0.030 2 1291 115 115 SER C C 174.295 0.300 1 1292 115 115 SER CA C 58.999 0.300 1 1293 115 115 SER CB C 64.181 0.300 1 1294 115 115 SER N N 118.352 0.300 1 1295 116 116 GLY H H 8.309 0.030 1 1296 116 116 GLY HA2 H 4.244 0.030 2 1297 116 116 GLY HA3 H 4.087 0.030 2 1298 116 116 GLY C C 171.777 0.300 1 1299 116 116 GLY CA C 44.760 0.300 1 1300 116 116 GLY N N 110.402 0.300 1 1301 117 117 PRO HA H 4.542 0.030 1 1302 117 117 PRO HB2 H 2.332 0.030 2 1303 117 117 PRO HB3 H 2.012 0.030 2 1304 117 117 PRO HD2 H 3.675 0.030 1 1305 117 117 PRO HD3 H 3.675 0.030 1 1306 117 117 PRO HG2 H 2.053 0.030 1 1307 117 117 PRO HG3 H 2.053 0.030 1 1308 117 117 PRO C C 177.471 0.300 1 1309 117 117 PRO CA C 63.256 0.300 1 1310 117 117 PRO CB C 32.262 0.300 1 1311 117 117 PRO CD C 49.842 0.300 1 1312 117 117 PRO CG C 27.229 0.300 1 1313 118 118 SER H H 8.579 0.030 1 1314 118 118 SER HA H 4.578 0.030 1 1315 118 118 SER HB2 H 3.961 0.030 1 1316 118 118 SER HB3 H 3.961 0.030 1 1317 118 118 SER C C 174.803 0.300 1 1318 118 118 SER CA C 58.436 0.300 1 1319 118 118 SER CB C 64.017 0.300 1 1320 118 118 SER N N 116.382 0.300 1 1321 119 119 SER H H 8.360 0.030 1 1322 119 119 SER HA H 4.536 0.030 1 1323 119 119 SER C C 174.018 0.300 1 1324 119 119 SER CA C 58.471 0.300 1 1325 119 119 SER CB C 64.222 0.300 1 1326 119 119 SER N N 117.951 0.300 1 1327 120 120 GLY H H 8.073 0.030 1 1328 120 120 GLY HA2 H 3.795 0.030 1 1329 120 120 GLY HA3 H 3.795 0.030 1 1330 120 120 GLY C C 179.068 0.300 1 1331 120 120 GLY CA C 46.239 0.300 1 1332 120 120 GLY N N 116.908 0.300 1 stop_ save_