data_10090 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of hypothetical protein F20O9.120 from Arabidopsis thaliana ; _BMRB_accession_number 10090 _BMRB_flat_file_name bmr10090.str _Entry_type original _Submission_date 2007-01-24 _Accession_date 2007-01-25 _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 Sato M. . . 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" 774 "13C chemical shifts" 569 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-14 original author . stop_ _Original_release_date 2008-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of hypothetical protein F20O9.120 from Arabidopsis thaliana' _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 Sato M. . . 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 'hypothetical protein F20O9.120' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hypothetical protein F20O9.120' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'residues 14-145' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; GSSGSSGSTVKRKPVFVKVE QLKPGTTGHTLTVKVIEANI VVPVTRKTRPASSLSRPSQP SRIVECLIGDETGCILFTAR NDQVDLMKPGATVILRNSRI DMFKGTMRLGVDKWGRIEAT GAASFTVKEDNNLSLVEYES GPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 THR 10 VAL 11 LYS 12 ARG 13 LYS 14 PRO 15 VAL 16 PHE 17 VAL 18 LYS 19 VAL 20 GLU 21 GLN 22 LEU 23 LYS 24 PRO 25 GLY 26 THR 27 THR 28 GLY 29 HIS 30 THR 31 LEU 32 THR 33 VAL 34 LYS 35 VAL 36 ILE 37 GLU 38 ALA 39 ASN 40 ILE 41 VAL 42 VAL 43 PRO 44 VAL 45 THR 46 ARG 47 LYS 48 THR 49 ARG 50 PRO 51 ALA 52 SER 53 SER 54 LEU 55 SER 56 ARG 57 PRO 58 SER 59 GLN 60 PRO 61 SER 62 ARG 63 ILE 64 VAL 65 GLU 66 CYS 67 LEU 68 ILE 69 GLY 70 ASP 71 GLU 72 THR 73 GLY 74 CYS 75 ILE 76 LEU 77 PHE 78 THR 79 ALA 80 ARG 81 ASN 82 ASP 83 GLN 84 VAL 85 ASP 86 LEU 87 MET 88 LYS 89 PRO 90 GLY 91 ALA 92 THR 93 VAL 94 ILE 95 LEU 96 ARG 97 ASN 98 SER 99 ARG 100 ILE 101 ASP 102 MET 103 PHE 104 LYS 105 GLY 106 THR 107 MET 108 ARG 109 LEU 110 GLY 111 VAL 112 ASP 113 LYS 114 TRP 115 GLY 116 ARG 117 ILE 118 GLU 119 ALA 120 THR 121 GLY 122 ALA 123 ALA 124 SER 125 PHE 126 THR 127 VAL 128 LYS 129 GLU 130 ASP 131 ASN 132 ASN 133 LEU 134 SER 135 LEU 136 VAL 137 GLU 138 TYR 139 GLU 140 SER 141 GLY 142 PRO 143 SER 144 SER 145 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1WJJ "Solution Structure Of Hypothetical Protein F20o9.120 From Arabidopsis Thaliana" 100.00 145 100.00 100.00 6.32e-99 EMBL CAA16883 "putative protein [Arabidopsis thaliana]" 91.03 153 100.00 100.00 2.87e-90 EMBL CAB79646 "putative protein [Arabidopsis thaliana]" 91.03 153 100.00 100.00 2.87e-90 GB AAK93582 "unknown protein [Arabidopsis thaliana]" 91.03 153 100.00 100.00 2.87e-90 GB AAL08288 "AT4g28440/F20O9_120 [Arabidopsis thaliana]" 91.03 153 100.00 100.00 2.87e-90 GB AAM14346 "unknown protein [Arabidopsis thaliana]" 91.03 153 100.00 100.00 2.87e-90 GB AAM65628 "unknown [Arabidopsis thaliana]" 91.03 153 100.00 100.00 2.87e-90 GB AEE85487 "Nucleic acid-binding, OB-fold-like protein [Arabidopsis thaliana]" 91.03 153 100.00 100.00 2.87e-90 REF NP_194573 "Nucleic acid-binding, OB-fold-like protein [Arabidopsis thaliana]" 91.03 153 100.00 100.00 2.87e-90 REF XP_002869502 "hypothetical protein ARALYDRAFT_913675 [Arabidopsis lyrata subsp. lyrata]" 91.03 152 96.97 96.97 9.45e-87 SP O49453 "RecName: Full=Uncharacterized protein At4g28440" 91.03 153 100.00 100.00 2.87e-90 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 'thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 P020715-05 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 0.8 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM . NaCl 200 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 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.8996 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_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_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 220 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _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 'hypothetical protein F20O9.120' _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 9 9 THR HA H 4.337 0.030 1 2 9 9 THR HG2 H 1.182 0.030 1 3 9 9 THR C C 174.539 0.300 1 4 9 9 THR CA C 61.917 0.300 1 5 9 9 THR CB C 69.911 0.300 1 6 9 9 THR CG2 C 21.697 0.300 1 7 10 10 VAL H H 8.097 0.030 1 8 10 10 VAL HA H 4.086 0.030 1 9 10 10 VAL HB H 2.039 0.030 1 10 10 10 VAL HG1 H 0.939 0.030 1 11 10 10 VAL HG2 H 0.939 0.030 1 12 10 10 VAL C C 175.984 0.300 1 13 10 10 VAL CA C 62.460 0.300 1 14 10 10 VAL CB C 32.692 0.300 1 15 10 10 VAL CG1 C 20.658 0.300 1 16 10 10 VAL CG2 C 20.658 0.300 1 17 10 10 VAL N N 123.000 0.300 1 18 11 11 LYS H H 8.418 0.030 1 19 11 11 LYS HA H 4.312 0.030 1 20 11 11 LYS HB2 H 1.788 0.030 1 21 11 11 LYS HB3 H 1.788 0.030 1 22 11 11 LYS HG2 H 1.443 0.030 1 23 11 11 LYS HG3 H 1.443 0.030 1 24 11 11 LYS HD2 H 1.727 0.030 1 25 11 11 LYS HD3 H 1.727 0.030 1 26 11 11 LYS HE2 H 2.995 0.030 1 27 11 11 LYS HE3 H 2.995 0.030 1 28 11 11 LYS C C 176.288 0.300 1 29 11 11 LYS CA C 56.115 0.300 1 30 11 11 LYS CB C 32.988 0.300 1 31 11 11 LYS CG C 24.746 0.300 1 32 11 11 LYS CD C 29.032 0.300 1 33 11 11 LYS CE C 42.219 0.300 1 34 11 11 LYS N N 126.103 0.300 1 35 12 12 ARG H H 8.347 0.030 1 36 12 12 ARG HA H 4.390 0.030 1 37 12 12 ARG HB2 H 1.883 0.030 2 38 12 12 ARG HB3 H 1.764 0.030 2 39 12 12 ARG HG2 H 1.615 0.030 1 40 12 12 ARG HG3 H 1.615 0.030 1 41 12 12 ARG HD2 H 3.171 0.030 1 42 12 12 ARG HD3 H 3.171 0.030 1 43 12 12 ARG C C 176.045 0.300 1 44 12 12 ARG CA C 55.934 0.300 1 45 12 12 ARG CB C 30.942 0.300 1 46 12 12 ARG CG C 27.119 0.300 1 47 12 12 ARG CD C 43.265 0.300 1 48 12 12 ARG N N 123.162 0.300 1 49 13 13 LYS H H 8.437 0.030 1 50 13 13 LYS HA H 4.604 0.030 1 51 13 13 LYS HB2 H 1.871 0.030 2 52 13 13 LYS HB3 H 1.765 0.030 2 53 13 13 LYS HG2 H 1.547 0.030 2 54 13 13 LYS HG3 H 1.502 0.030 2 55 13 13 LYS HE2 H 3.037 0.030 1 56 13 13 LYS HE3 H 3.037 0.030 1 57 13 13 LYS C C 174.442 0.300 1 58 13 13 LYS CA C 54.417 0.300 1 59 13 13 LYS CB C 32.411 0.300 1 60 13 13 LYS CG C 24.738 0.300 1 61 13 13 LYS CE C 42.243 0.300 1 62 13 13 LYS N N 124.929 0.300 1 63 14 14 PRO HA H 4.469 0.030 1 64 14 14 PRO HB2 H 2.268 0.030 2 65 14 14 PRO HB3 H 1.778 0.030 2 66 14 14 PRO HG2 H 2.078 0.030 1 67 14 14 PRO HG3 H 2.078 0.030 1 68 14 14 PRO HD2 H 3.881 0.030 2 69 14 14 PRO HD3 H 3.721 0.030 2 70 14 14 PRO C C 176.312 0.300 1 71 14 14 PRO CA C 62.975 0.300 1 72 14 14 PRO CB C 32.246 0.300 1 73 14 14 PRO CG C 27.548 0.300 1 74 14 14 PRO CD C 50.790 0.300 1 75 15 15 VAL H H 8.329 0.030 1 76 15 15 VAL HA H 4.195 0.030 1 77 15 15 VAL HB H 2.081 0.030 1 78 15 15 VAL HG1 H 0.963 0.030 1 79 15 15 VAL HG2 H 0.963 0.030 1 80 15 15 VAL C C 175.741 0.300 1 81 15 15 VAL CA C 62.146 0.300 1 82 15 15 VAL CB C 32.988 0.300 1 83 15 15 VAL CG1 C 21.037 0.300 1 84 15 15 VAL CG2 C 21.037 0.300 1 85 15 15 VAL N N 121.780 0.300 1 86 16 16 PHE H H 8.572 0.030 1 87 16 16 PHE HA H 4.965 0.030 1 88 16 16 PHE HB2 H 3.070 0.030 2 89 16 16 PHE HB3 H 3.001 0.030 2 90 16 16 PHE HD1 H 7.309 0.030 1 91 16 16 PHE HD2 H 7.309 0.030 1 92 16 16 PHE HE1 H 7.206 0.030 1 93 16 16 PHE HE2 H 7.206 0.030 1 94 16 16 PHE C C 176.943 0.300 1 95 16 16 PHE CA C 57.352 0.300 1 96 16 16 PHE CB C 40.271 0.300 1 97 16 16 PHE CD1 C 131.503 0.300 1 98 16 16 PHE CD2 C 131.503 0.300 1 99 16 16 PHE CE1 C 129.468 0.300 1 100 16 16 PHE CE2 C 129.468 0.300 1 101 16 16 PHE N N 125.320 0.300 1 102 17 17 VAL H H 8.791 0.030 1 103 17 17 VAL HA H 4.706 0.030 1 104 17 17 VAL HB H 2.180 0.030 1 105 17 17 VAL HG1 H 0.832 0.030 1 106 17 17 VAL HG2 H 1.018 0.030 1 107 17 17 VAL C C 174.345 0.300 1 108 17 17 VAL CA C 59.421 0.300 1 109 17 17 VAL CB C 35.007 0.300 1 110 17 17 VAL CG1 C 18.317 0.300 2 111 17 17 VAL CG2 C 21.697 0.300 2 112 17 17 VAL N N 116.844 0.300 1 113 18 18 LYS H H 7.868 0.030 1 114 18 18 LYS HA H 4.763 0.030 1 115 18 18 LYS HB2 H 2.282 0.030 2 116 18 18 LYS HB3 H 1.634 0.030 2 117 18 18 LYS HG2 H 1.467 0.030 1 118 18 18 LYS HG3 H 1.467 0.030 1 119 18 18 LYS HD2 H 1.621 0.030 2 120 18 18 LYS HD3 H 1.455 0.030 2 121 18 18 LYS HE2 H 2.872 0.030 1 122 18 18 LYS HE3 H 2.872 0.030 1 123 18 18 LYS C C 178.304 0.300 1 124 18 18 LYS CA C 52.560 0.300 1 125 18 18 LYS CB C 34.092 0.300 1 126 18 18 LYS CG C 24.664 0.300 1 127 18 18 LYS CD C 27.841 0.300 1 128 18 18 LYS CE C 42.547 0.300 1 129 18 18 LYS N N 117.930 0.300 1 130 19 19 VAL H H 9.614 0.030 1 131 19 19 VAL HA H 3.024 0.030 1 132 19 19 VAL HB H 1.772 0.030 1 133 19 19 VAL HG1 H 0.508 0.030 1 134 19 19 VAL HG2 H 0.699 0.030 1 135 19 19 VAL C C 177.089 0.300 1 136 19 19 VAL CA C 66.652 0.300 1 137 19 19 VAL CB C 31.057 0.300 1 138 19 19 VAL CG1 C 21.923 0.300 2 139 19 19 VAL CG2 C 24.259 0.300 2 140 19 19 VAL N N 122.561 0.300 1 141 20 20 GLU H H 8.152 0.030 1 142 20 20 GLU HA H 4.083 0.030 1 143 20 20 GLU HB2 H 2.218 0.030 2 144 20 20 GLU HB3 H 1.714 0.030 2 145 20 20 GLU HG2 H 2.129 0.030 2 146 20 20 GLU HG3 H 1.933 0.030 2 147 20 20 GLU C C 176.774 0.300 1 148 20 20 GLU CA C 57.388 0.300 1 149 20 20 GLU CB C 28.363 0.300 1 150 20 20 GLU CG C 34.356 0.300 1 151 20 20 GLU N N 110.763 0.300 1 152 21 21 GLN H H 7.809 0.030 1 153 21 21 GLN HA H 4.201 0.030 1 154 21 21 GLN HB2 H 2.231 0.030 1 155 21 21 GLN HB3 H 2.231 0.030 1 156 21 21 GLN HG2 H 2.497 0.030 2 157 21 21 GLN HG3 H 2.213 0.030 2 158 21 21 GLN HE21 H 7.831 0.030 2 159 21 21 GLN HE22 H 6.980 0.030 2 160 21 21 GLN C C 176.337 0.300 1 161 21 21 GLN CA C 56.292 0.300 1 162 21 21 GLN CB C 29.917 0.300 1 163 21 21 GLN CG C 36.202 0.300 1 164 21 21 GLN N N 118.672 0.300 1 165 21 21 GLN NE2 N 112.334 0.300 1 166 22 22 LEU H H 7.713 0.030 1 167 22 22 LEU HA H 3.525 0.030 1 168 22 22 LEU HB2 H 1.752 0.030 2 169 22 22 LEU HB3 H 0.778 0.030 2 170 22 22 LEU HG H 1.644 0.030 1 171 22 22 LEU HD1 H 0.701 0.030 1 172 22 22 LEU HD2 H -0.113 0.030 1 173 22 22 LEU C C 175.183 0.300 1 174 22 22 LEU CA C 56.256 0.300 1 175 22 22 LEU CB C 40.848 0.300 1 176 22 22 LEU CG C 25.794 0.300 1 177 22 22 LEU CD1 C 27.185 0.300 2 178 22 22 LEU CD2 C 20.697 0.300 2 179 22 22 LEU N N 121.235 0.300 1 180 23 23 LYS H H 6.501 0.030 1 181 23 23 LYS HA H 4.800 0.030 1 182 23 23 LYS HB2 H 1.825 0.030 2 183 23 23 LYS HB3 H 1.577 0.030 2 184 23 23 LYS HG2 H 1.467 0.030 2 185 23 23 LYS HG3 H 1.374 0.030 2 186 23 23 LYS HD2 H 1.769 0.030 2 187 23 23 LYS HD3 H 1.676 0.030 2 188 23 23 LYS HE2 H 3.306 0.030 2 189 23 23 LYS C C 173.738 0.300 1 190 23 23 LYS CA C 56.238 0.300 1 191 23 23 LYS CB C 34.553 0.300 1 192 23 23 LYS CG C 24.295 0.300 1 193 23 23 LYS CD C 30.359 0.300 1 194 23 23 LYS N N 117.801 0.300 1 195 24 24 PRO HA H 3.983 0.030 1 196 24 24 PRO HB2 H 2.133 0.030 2 197 24 24 PRO HB3 H 1.546 0.030 2 198 24 24 PRO HG2 H 1.098 0.030 2 199 24 24 PRO HG3 H 1.013 0.030 2 200 24 24 PRO HD2 H 3.581 0.030 2 201 24 24 PRO HD3 H 3.312 0.030 2 202 24 24 PRO CA C 64.120 0.300 1 203 24 24 PRO CB C 32.352 0.300 1 204 24 24 PRO CG C 26.998 0.300 1 205 24 24 PRO CD C 51.105 0.300 1 206 25 25 GLY H H 8.668 0.030 1 207 25 25 GLY HA2 H 4.002 0.030 2 208 25 25 GLY HA3 H 3.842 0.030 2 209 25 25 GLY CA C 46.192 0.300 1 210 25 25 GLY N N 109.712 0.300 1 211 26 26 THR H H 7.227 0.030 1 212 26 26 THR HA H 4.817 0.030 1 213 26 26 THR HB H 4.418 0.030 1 214 26 26 THR HG2 H 1.238 0.030 1 215 26 26 THR C C 173.714 0.300 1 216 26 26 THR CA C 60.181 0.300 1 217 26 26 THR CB C 72.536 0.300 1 218 26 26 THR CG2 C 21.697 0.300 1 219 26 26 THR N N 107.037 0.300 1 220 27 27 THR H H 8.250 0.030 1 221 27 27 THR HA H 4.531 0.030 1 222 27 27 THR HB H 4.201 0.030 1 223 27 27 THR HG2 H 1.066 0.030 1 224 27 27 THR C C 172.390 0.300 1 225 27 27 THR CA C 60.128 0.300 1 226 27 27 THR CB C 71.412 0.300 1 227 27 27 THR CG2 C 21.284 0.300 1 228 27 27 THR N N 112.346 0.300 1 229 28 28 GLY H H 7.933 0.030 1 230 28 28 GLY HA2 H 4.086 0.030 2 231 28 28 GLY HA3 H 3.872 0.030 2 232 28 28 GLY C C 175.535 0.300 1 233 28 28 GLY CA C 46.178 0.300 1 234 28 28 GLY N N 108.097 0.300 1 235 29 29 HIS H H 8.290 0.030 1 236 29 29 HIS HA H 4.780 0.030 1 237 29 29 HIS HB2 H 2.847 0.030 2 238 29 29 HIS HB3 H 2.485 0.030 2 239 29 29 HIS HD2 H 6.291 0.030 1 240 29 29 HIS HE1 H 7.700 0.030 1 241 29 29 HIS C C 177.247 0.300 1 242 29 29 HIS CA C 55.708 0.300 1 243 29 29 HIS CB C 32.325 0.300 1 244 29 29 HIS CD2 C 116.785 0.300 1 245 29 29 HIS CE1 C 139.872 0.300 1 246 29 29 HIS N N 120.532 0.300 1 247 30 30 THR H H 9.363 0.030 1 248 30 30 THR HA H 5.773 0.030 1 249 30 30 THR HB H 3.836 0.030 1 250 30 30 THR HG2 H 0.518 0.030 1 251 30 30 THR C C 172.390 0.300 1 252 30 30 THR CA C 61.821 0.300 1 253 30 30 THR CB C 70.366 0.300 1 254 30 30 THR CG2 C 20.543 0.300 1 255 30 30 THR N N 127.137 0.300 1 256 31 31 LEU H H 8.692 0.030 1 257 31 31 LEU HA H 5.162 0.030 1 258 31 31 LEU HB2 H 1.961 0.030 2 259 31 31 LEU HB3 H 1.439 0.030 2 260 31 31 LEU HG H 1.630 0.030 1 261 31 31 LEU HD1 H 0.529 0.030 1 262 31 31 LEU HD2 H 0.642 0.030 1 263 31 31 LEU C C 174.600 0.300 1 264 31 31 LEU CA C 55.814 0.300 1 265 31 31 LEU CB C 45.816 0.300 1 266 31 31 LEU CG C 27.188 0.300 1 267 31 31 LEU CD1 C 28.755 0.300 2 268 31 31 LEU CD2 C 26.949 0.300 2 269 31 31 LEU N N 122.234 0.300 1 270 32 32 THR H H 8.205 0.030 1 271 32 32 THR HA H 5.224 0.030 1 272 32 32 THR HB H 4.034 0.030 1 273 32 32 THR HG2 H 1.236 0.030 1 274 32 32 THR C C 174.333 0.300 1 275 32 32 THR CA C 62.249 0.300 1 276 32 32 THR CB C 69.336 0.300 1 277 32 32 THR CG2 C 21.899 0.300 1 278 32 32 THR N N 118.737 0.300 1 279 33 33 VAL H H 9.209 0.030 1 280 33 33 VAL HA H 5.223 0.030 1 281 33 33 VAL HB H 2.098 0.030 1 282 33 33 VAL HG1 H 0.629 0.030 1 283 33 33 VAL HG2 H 0.600 0.030 1 284 33 33 VAL C C 173.325 0.300 1 285 33 33 VAL CA C 58.731 0.300 1 286 33 33 VAL CB C 37.026 0.300 1 287 33 33 VAL CG1 C 22.685 0.300 2 288 33 33 VAL CG2 C 18.127 0.300 2 289 33 33 VAL N N 116.826 0.300 1 290 34 34 LYS H H 9.086 0.030 1 291 34 34 LYS HA H 5.431 0.030 1 292 34 34 LYS HB2 H 1.678 0.030 2 293 34 34 LYS HB3 H 1.501 0.030 2 294 34 34 LYS HG2 H 1.319 0.030 1 295 34 34 LYS HG3 H 1.319 0.030 1 296 34 34 LYS HD2 H 1.490 0.030 2 297 34 34 LYS HD3 H 1.422 0.030 2 298 34 34 LYS HE2 H 2.792 0.030 2 299 34 34 LYS HE3 H 2.585 0.030 2 300 34 34 LYS C C 176.421 0.300 1 301 34 34 LYS CA C 54.364 0.300 1 302 34 34 LYS CB C 36.424 0.300 1 303 34 34 LYS CG C 25.843 0.300 1 304 34 34 LYS CD C 29.740 0.300 1 305 34 34 LYS CE C 42.365 0.300 1 306 34 34 LYS N N 119.262 0.300 1 307 35 35 VAL H H 8.774 0.030 1 308 35 35 VAL HA H 4.161 0.030 1 309 35 35 VAL HB H 2.396 0.030 1 310 35 35 VAL HG1 H 0.603 0.030 1 311 35 35 VAL HG2 H 0.725 0.030 1 312 35 35 VAL C C 176.567 0.300 1 313 35 35 VAL CA C 62.286 0.300 1 314 35 35 VAL CB C 30.982 0.300 1 315 35 35 VAL CG1 C 20.877 0.300 2 316 35 35 VAL CG2 C 20.252 0.300 2 317 35 35 VAL N N 123.027 0.300 1 318 36 36 ILE H H 9.371 0.030 1 319 36 36 ILE HA H 4.382 0.030 1 320 36 36 ILE HB H 1.853 0.030 1 321 36 36 ILE HG12 H 1.327 0.030 2 322 36 36 ILE HG13 H 1.153 0.030 2 323 36 36 ILE HG2 H 0.936 0.030 1 324 36 36 ILE HD1 H 0.745 0.030 1 325 36 36 ILE C C 175.826 0.300 1 326 36 36 ILE CA C 61.928 0.300 1 327 36 36 ILE CB C 38.798 0.300 1 328 36 36 ILE CG1 C 26.871 0.300 1 329 36 36 ILE CG2 C 17.879 0.300 1 330 36 36 ILE CD1 C 12.393 0.300 1 331 36 36 ILE N N 127.715 0.300 1 332 37 37 GLU H H 7.615 0.030 1 333 37 37 GLU HA H 4.629 0.030 1 334 37 37 GLU HB2 H 2.098 0.030 2 335 37 37 GLU HB3 H 1.968 0.030 2 336 37 37 GLU HG2 H 2.243 0.030 2 337 37 37 GLU HG3 H 2.187 0.030 2 338 37 37 GLU C C 173.847 0.300 1 339 37 37 GLU CA C 55.248 0.300 1 340 37 37 GLU CB C 33.839 0.300 1 341 37 37 GLU CG C 35.978 0.300 1 342 37 37 GLU N N 116.070 0.300 1 343 38 38 ALA H H 9.007 0.030 1 344 38 38 ALA HA H 4.945 0.030 1 345 38 38 ALA HB H 1.271 0.030 1 346 38 38 ALA C C 175.147 0.300 1 347 38 38 ALA CA C 51.925 0.300 1 348 38 38 ALA CB C 21.734 0.300 1 349 38 38 ALA N N 126.093 0.300 1 350 39 39 ASN H H 8.689 0.030 1 351 39 39 ASN HA H 5.026 0.030 1 352 39 39 ASN HB2 H 2.792 0.030 2 353 39 39 ASN HB3 H 2.741 0.030 2 354 39 39 ASN HD21 H 7.792 0.030 2 355 39 39 ASN HD22 H 7.231 0.030 2 356 39 39 ASN C C 173.920 0.300 1 357 39 39 ASN CA C 52.809 0.300 1 358 39 39 ASN CB C 41.208 0.300 1 359 39 39 ASN N N 120.187 0.300 1 360 39 39 ASN ND2 N 115.175 0.300 1 361 40 40 ILE H H 8.520 0.030 1 362 40 40 ILE HA H 4.190 0.030 1 363 40 40 ILE HB H 1.851 0.030 1 364 40 40 ILE HG12 H 1.618 0.030 2 365 40 40 ILE HG13 H 1.152 0.030 2 366 40 40 ILE HG2 H 0.914 0.030 1 367 40 40 ILE HD1 H 0.889 0.030 1 368 40 40 ILE C C 175.693 0.300 1 369 40 40 ILE CA C 62.250 0.300 1 370 40 40 ILE CB C 38.798 0.300 1 371 40 40 ILE CG1 C 28.256 0.300 1 372 40 40 ILE CG2 C 17.641 0.300 1 373 40 40 ILE CD1 C 13.585 0.300 1 374 40 40 ILE N N 123.710 0.300 1 375 41 41 VAL H H 8.330 0.030 1 376 41 41 VAL HA H 4.195 0.030 1 377 41 41 VAL HB H 1.925 0.030 1 378 41 41 VAL HG1 H 0.887 0.030 1 379 41 41 VAL HG2 H 0.824 0.030 1 380 41 41 VAL C C 175.511 0.300 1 381 41 41 VAL CA C 62.099 0.300 1 382 41 41 VAL CB C 32.878 0.300 1 383 41 41 VAL CG1 C 21.174 0.300 2 384 41 41 VAL CG2 C 21.058 0.300 2 385 41 41 VAL N N 127.241 0.300 1 386 42 42 VAL H H 8.372 0.030 1 387 42 42 VAL HA H 4.429 0.030 1 388 42 42 VAL HB H 2.049 0.030 1 389 42 42 VAL HG1 H 0.940 0.030 1 390 42 42 VAL HG2 H 0.824 0.030 1 391 42 42 VAL CA C 59.787 0.300 1 392 42 42 VAL CB C 32.694 0.300 1 393 42 42 VAL CG1 C 20.690 0.300 2 394 42 42 VAL N N 127.421 0.300 1 395 43 43 PRO HA H 4.479 0.030 1 396 43 43 PRO HB2 H 2.276 0.030 2 397 43 43 PRO HB3 H 1.901 0.030 2 398 43 43 PRO HG2 H 2.081 0.030 2 399 43 43 PRO HG3 H 1.983 0.030 2 400 43 43 PRO HD2 H 3.924 0.030 2 401 43 43 PRO HD3 H 3.726 0.030 2 402 43 43 PRO CA C 63.139 0.300 1 403 43 43 PRO CB C 32.329 0.300 1 404 43 43 PRO CG C 27.418 0.300 1 405 43 43 PRO CD C 51.146 0.300 1 406 44 44 VAL H H 8.300 0.030 1 407 44 44 VAL HA H 4.132 0.030 1 408 44 44 VAL HB H 2.109 0.030 1 409 44 44 VAL HG1 H 0.988 0.030 1 410 44 44 VAL HG2 H 0.985 0.030 1 411 44 44 VAL CA C 62.681 0.300 1 412 44 44 VAL CB C 32.696 0.300 1 413 44 44 VAL CG1 C 21.120 0.300 2 414 44 44 VAL N N 120.619 0.300 1 415 45 45 THR H H 8.184 0.030 1 416 45 45 THR HA H 4.337 0.030 1 417 45 45 THR HB H 4.191 0.030 1 418 45 45 THR HG2 H 1.209 0.030 1 419 45 45 THR CA C 61.772 0.300 1 420 45 45 THR CB C 69.957 0.300 1 421 45 45 THR CG2 C 21.737 0.300 1 422 45 45 THR N N 117.968 0.300 1 423 46 46 ARG H H 8.357 0.030 1 424 46 46 ARG HB2 H 1.766 0.030 2 425 46 46 ARG HB3 H 1.589 0.030 2 426 46 46 ARG HG2 H 1.702 0.030 2 427 46 46 ARG HG3 H 1.459 0.030 2 428 46 46 ARG HD2 H 3.400 0.030 2 429 46 46 ARG HD3 H 2.676 0.030 2 430 46 46 ARG HE H 7.735 0.030 1 431 46 46 ARG CA C 53.922 0.300 1 432 46 46 ARG CB C 33.150 0.300 1 433 46 46 ARG CG C 25.600 0.300 1 434 46 46 ARG CD C 43.415 0.300 1 435 46 46 ARG N N 124.373 0.300 1 436 46 46 ARG NE N 84.273 0.300 1 437 47 47 LYS HA H 4.368 0.030 1 438 47 47 LYS HB2 H 1.865 0.030 2 439 47 47 LYS HB3 H 1.770 0.030 2 440 47 47 LYS HG2 H 1.485 0.030 2 441 47 47 LYS HG3 H 1.421 0.030 2 442 47 47 LYS HD2 H 1.758 0.030 2 443 47 47 LYS HD3 H 1.666 0.030 2 444 47 47 LYS HE2 H 3.042 0.030 2 445 47 47 LYS HE3 H 2.946 0.030 2 446 47 47 LYS CA C 56.574 0.300 1 447 47 47 LYS CB C 33.070 0.300 1 448 47 47 LYS CG C 24.852 0.300 1 449 47 47 LYS CD C 28.771 0.300 1 450 47 47 LYS CE C 42.207 0.300 1 451 48 48 THR H H 8.108 0.030 1 452 48 48 THR HA H 4.637 0.030 1 453 48 48 THR HB H 4.246 0.030 1 454 48 48 THR HG2 H 1.210 0.030 1 455 48 48 THR CA C 60.737 0.300 1 456 48 48 THR CB C 69.746 0.300 1 457 48 48 THR CG2 C 21.999 0.300 1 458 48 48 THR N N 115.191 0.300 1 459 49 49 ARG HA H 4.410 0.030 1 460 49 49 ARG HB2 H 1.710 0.030 2 461 49 49 ARG HB3 H 1.599 0.030 2 462 49 49 ARG HG2 H 1.422 0.030 2 463 49 49 ARG HG3 H 1.265 0.030 2 464 49 49 ARG HD2 H 3.086 0.030 2 465 49 49 ARG HD3 H 2.944 0.030 2 466 49 49 ARG CB C 29.543 0.300 1 467 49 49 ARG CD C 42.189 0.300 1 468 50 50 PRO HA H 4.435 0.030 1 469 50 50 PRO HB2 H 2.326 0.030 2 470 50 50 PRO HB3 H 1.961 0.030 2 471 50 50 PRO HG2 H 1.995 0.030 1 472 50 50 PRO HG3 H 1.995 0.030 1 473 50 50 PRO HD2 H 3.857 0.030 2 474 50 50 PRO HD3 H 3.647 0.030 2 475 50 50 PRO CA C 63.187 0.300 1 476 50 50 PRO CB C 32.077 0.300 1 477 50 50 PRO CG C 27.294 0.300 1 478 50 50 PRO CD C 50.708 0.300 1 479 51 51 ALA H H 8.549 0.030 1 480 51 51 ALA HA H 4.294 0.030 1 481 51 51 ALA HB H 1.438 0.030 1 482 51 51 ALA CA C 53.013 0.300 1 483 51 51 ALA CB C 19.099 0.300 1 484 51 51 ALA N N 124.604 0.300 1 485 53 53 SER HA H 4.448 0.030 1 486 53 53 SER HB2 H 3.881 0.030 1 487 53 53 SER HB3 H 3.881 0.030 1 488 53 53 SER C C 174.588 0.300 1 489 53 53 SER CA C 58.731 0.300 1 490 53 53 SER CB C 63.812 0.300 1 491 54 54 LEU H H 8.179 0.030 1 492 54 54 LEU HA H 4.374 0.030 1 493 54 54 LEU HB2 H 2.364 0.030 2 494 54 54 LEU HB3 H 1.653 0.030 2 495 54 54 LEU HG H 1.638 0.030 1 496 54 54 LEU HD1 H 0.873 0.030 1 497 54 54 LEU HD2 H 0.948 0.030 1 498 54 54 LEU C C 177.465 0.300 1 499 54 54 LEU CA C 55.460 0.300 1 500 54 54 LEU CB C 42.338 0.300 1 501 54 54 LEU CG C 27.090 0.300 1 502 54 54 LEU CD1 C 23.262 0.300 2 503 54 54 LEU CD2 C 25.078 0.300 2 504 54 54 LEU N N 123.163 0.300 1 505 55 55 SER H H 8.130 0.030 1 506 55 55 SER HA H 4.448 0.030 1 507 55 55 SER HB2 H 3.857 0.030 1 508 55 55 SER HB3 H 3.857 0.030 1 509 55 55 SER C C 174.054 0.300 1 510 55 55 SER CA C 58.467 0.300 1 511 55 55 SER CB C 63.771 0.300 1 512 55 55 SER N N 115.697 0.300 1 513 56 56 ARG H H 8.200 0.030 1 514 56 56 ARG HA H 4.665 0.030 1 515 56 56 ARG HB2 H 1.860 0.030 2 516 56 56 ARG HB3 H 1.743 0.030 2 517 56 56 ARG HG2 H 1.678 0.030 1 518 56 56 ARG HG3 H 1.678 0.030 1 519 56 56 ARG HD2 H 3.648 0.030 2 520 56 56 ARG HD3 H 3.207 0.030 2 521 56 56 ARG C C 174.054 0.300 1 522 56 56 ARG CA C 54.007 0.300 1 523 56 56 ARG CB C 30.341 0.300 1 524 56 56 ARG CG C 26.839 0.300 1 525 56 56 ARG N N 123.404 0.300 1 526 57 57 PRO HA H 4.484 0.030 1 527 57 57 PRO HB2 H 2.293 0.030 2 528 57 57 PRO HB3 H 1.899 0.030 2 529 57 57 PRO HG2 H 2.022 0.030 2 530 57 57 PRO HG3 H 1.854 0.030 2 531 57 57 PRO HD2 H 3.746 0.030 2 532 57 57 PRO HD3 H 3.660 0.030 2 533 57 57 PRO CA C 63.070 0.300 1 534 57 57 PRO CB C 32.246 0.300 1 535 57 57 PRO CG C 27.383 0.300 1 536 57 57 PRO CD C 50.708 0.300 1 537 58 58 SER H H 8.483 0.030 1 538 58 58 SER CA C 58.484 0.300 1 539 58 58 SER CB C 64.142 0.300 1 540 58 58 SER N N 116.952 0.300 1 541 59 59 GLN H H 8.268 0.030 1 542 59 59 GLN HA H 4.675 0.030 1 543 59 59 GLN HB2 H 2.103 0.030 2 544 59 59 GLN HB3 H 1.949 0.030 2 545 59 59 GLN HG2 H 2.389 0.030 1 546 59 59 GLN HG3 H 2.389 0.030 1 547 59 59 GLN HE21 H 7.571 0.030 2 548 59 59 GLN HE22 H 6.915 0.030 2 549 59 59 GLN CA C 53.543 0.300 1 550 59 59 GLN CB C 29.222 0.300 1 551 59 59 GLN CG C 33.506 0.300 1 552 59 59 GLN NE2 N 112.641 0.300 1 553 60 60 PRO HA H 4.476 0.030 1 554 60 60 PRO HB2 H 2.322 0.030 2 555 60 60 PRO HB3 H 1.938 0.030 2 556 60 60 PRO HG2 H 2.023 0.030 1 557 60 60 PRO HG3 H 2.023 0.030 1 558 60 60 PRO HD2 H 3.676 0.030 2 559 60 60 PRO HD3 H 3.808 0.030 2 560 60 60 PRO CA C 63.210 0.300 1 561 60 60 PRO CB C 32.077 0.300 1 562 60 60 PRO CG C 27.357 0.300 1 563 60 60 PRO CD C 50.695 0.300 1 564 61 61 SER H H 8.478 0.030 1 565 61 61 SER HA H 4.558 0.030 1 566 61 61 SER HB2 H 3.860 0.030 1 567 61 61 SER HB3 H 3.860 0.030 1 568 61 61 SER C C 174.054 0.300 1 569 61 61 SER CA C 58.448 0.300 1 570 61 61 SER CB C 64.085 0.300 1 571 62 62 ARG H H 8.293 0.030 1 572 62 62 ARG HA H 4.546 0.030 1 573 62 62 ARG HB2 H 1.850 0.030 2 574 62 62 ARG HB3 H 1.770 0.030 2 575 62 62 ARG HG2 H 1.658 0.030 2 576 62 62 ARG HG3 H 1.626 0.030 2 577 62 62 ARG HD2 H 3.170 0.030 2 578 62 62 ARG HD3 H 3.106 0.030 2 579 62 62 ARG C C 174.673 0.300 1 580 62 62 ARG CA C 55.991 0.300 1 581 62 62 ARG CB C 32.329 0.300 1 582 62 62 ARG CG C 26.839 0.300 1 583 62 62 ARG CD C 43.932 0.300 1 584 62 62 ARG N N 123.045 0.300 1 585 63 63 ILE H H 8.455 0.030 1 586 63 63 ILE HA H 4.829 0.030 1 587 63 63 ILE HB H 1.714 0.030 1 588 63 63 ILE HG12 H 1.437 0.030 2 589 63 63 ILE HG13 H 0.927 0.030 2 590 63 63 ILE HG2 H 0.737 0.030 1 591 63 63 ILE HD1 H 0.764 0.030 1 592 63 63 ILE C C 174.770 0.300 1 593 63 63 ILE CA C 60.322 0.300 1 594 63 63 ILE CB C 40.769 0.300 1 595 63 63 ILE CG1 C 27.399 0.300 1 596 63 63 ILE CG2 C 17.546 0.300 1 597 63 63 ILE CD1 C 13.498 0.300 1 598 63 63 ILE N N 124.088 0.300 1 599 64 64 VAL H H 8.736 0.030 1 600 64 64 VAL HA H 4.594 0.030 1 601 64 64 VAL HB H 1.837 0.030 1 602 64 64 VAL HG1 H 0.867 0.030 1 603 64 64 VAL HG2 H 0.895 0.030 1 604 64 64 VAL C C 174.455 0.300 1 605 64 64 VAL CA C 60.800 0.300 1 606 64 64 VAL CB C 36.136 0.300 1 607 64 64 VAL CG1 C 21.775 0.300 2 608 64 64 VAL CG2 C 22.644 0.300 2 609 64 64 VAL N N 125.704 0.300 1 610 65 65 GLU H H 8.945 0.030 1 611 65 65 GLU HA H 5.276 0.030 1 612 65 65 GLU HB2 H 1.958 0.030 2 613 65 65 GLU HB3 H 1.903 0.030 2 614 65 65 GLU HG2 H 2.145 0.030 2 615 65 65 GLU HG3 H 2.006 0.030 2 616 65 65 GLU C C 176.604 0.300 1 617 65 65 GLU CA C 55.230 0.300 1 618 65 65 GLU CB C 31.834 0.300 1 619 65 65 GLU CG C 37.957 0.300 1 620 65 65 GLU N N 126.007 0.300 1 621 66 66 CYS H H 9.950 0.030 1 622 66 66 CYS HA H 5.394 0.030 1 623 66 66 CYS HB2 H 2.995 0.030 2 624 66 66 CYS HB3 H 2.798 0.030 2 625 66 66 CYS C C 173.349 0.300 1 626 66 66 CYS CA C 56.539 0.300 1 627 66 66 CYS CB C 30.196 0.300 1 628 66 66 CYS N N 124.192 0.300 1 629 67 67 LEU H H 8.788 0.030 1 630 67 67 LEU HA H 4.915 0.030 1 631 67 67 LEU HB2 H 1.860 0.030 2 632 67 67 LEU HB3 H 1.469 0.030 2 633 67 67 LEU HG H 1.262 0.030 1 634 67 67 LEU HD1 H 0.906 0.030 1 635 67 67 LEU HD2 H 0.820 0.030 1 636 67 67 LEU C C 175.171 0.300 1 637 67 67 LEU CA C 54.983 0.300 1 638 67 67 LEU CB C 43.258 0.300 1 639 67 67 LEU CG C 27.791 0.300 1 640 67 67 LEU CD1 C 25.848 0.300 2 641 67 67 LEU CD2 C 23.253 0.300 2 642 67 67 LEU N N 127.443 0.300 1 643 68 68 ILE H H 8.886 0.030 1 644 68 68 ILE HA H 5.728 0.030 1 645 68 68 ILE HB H 1.612 0.030 1 646 68 68 ILE HG12 H 1.462 0.030 2 647 68 68 ILE HG13 H 1.286 0.030 2 648 68 68 ILE HG2 H 0.724 0.030 1 649 68 68 ILE HD1 H 0.657 0.030 1 650 68 68 ILE C C 175.086 0.300 1 651 68 68 ILE CA C 57.883 0.300 1 652 68 68 ILE CB C 41.430 0.300 1 653 68 68 ILE CG1 C 25.880 0.300 1 654 68 68 ILE CG2 C 19.149 0.300 1 655 68 68 ILE CD1 C 16.505 0.300 1 656 68 68 ILE N N 121.780 0.300 1 657 69 69 GLY H H 8.892 0.030 1 658 69 69 GLY HA2 H 4.444 0.030 2 659 69 69 GLY HA3 H 4.546 0.030 2 660 69 69 GLY C C 170.107 0.300 1 661 69 69 GLY CA C 48.148 0.300 1 662 69 69 GLY N N 103.881 0.300 1 663 70 70 ASP H H 9.192 0.030 1 664 70 70 ASP HA H 4.532 0.030 1 665 70 70 ASP HB2 H 2.609 0.030 2 666 70 70 ASP HB3 H 2.345 0.030 2 667 70 70 ASP C C 175.438 0.300 1 668 70 70 ASP CA C 52.826 0.300 1 669 70 70 ASP CB C 41.226 0.300 1 670 70 70 ASP N N 120.443 0.300 1 671 71 71 GLU H H 10.114 0.030 1 672 71 71 GLU HA H 4.755 0.030 1 673 71 71 GLU HB2 H 2.255 0.030 2 674 71 71 GLU HB3 H 2.065 0.030 2 675 71 71 GLU HG2 H 2.496 0.030 2 676 71 71 GLU HG3 H 2.048 0.030 2 677 71 71 GLU C C 176.239 0.300 1 678 71 71 GLU CA C 58.608 0.300 1 679 71 71 GLU CB C 27.989 0.300 1 680 71 71 GLU CG C 35.543 0.300 1 681 71 71 GLU N N 120.623 0.300 1 682 72 72 THR H H 9.617 0.030 1 683 72 72 THR HA H 4.632 0.030 1 684 72 72 THR HB H 4.214 0.030 1 685 72 72 THR HG2 H 1.078 0.030 1 686 72 72 THR C C 175.474 0.300 1 687 72 72 THR CA C 62.082 0.300 1 688 72 72 THR CB C 69.705 0.300 1 689 72 72 THR CG2 C 23.058 0.300 1 690 72 72 THR N N 113.916 0.300 1 691 73 73 GLY H H 7.772 0.030 1 692 73 73 GLY HA2 H 4.669 0.030 2 693 73 73 GLY HA3 H 4.351 0.030 2 694 73 73 GLY C C 169.221 0.300 1 695 73 73 GLY CA C 45.807 0.300 1 696 73 73 GLY N N 112.110 0.300 1 697 74 74 CYS H H 9.055 0.030 1 698 74 74 CYS HA H 5.827 0.030 1 699 74 74 CYS HB2 H 2.702 0.030 2 700 74 74 CYS HB3 H 2.636 0.030 2 701 74 74 CYS C C 170.958 0.300 1 702 74 74 CYS CA C 55.602 0.300 1 703 74 74 CYS CB C 32.173 0.300 1 704 74 74 CYS N N 112.428 0.300 1 705 75 75 ILE H H 9.389 0.030 1 706 75 75 ILE HA H 4.459 0.030 1 707 75 75 ILE HB H 1.731 0.030 1 708 75 75 ILE HG12 H 1.853 0.030 2 709 75 75 ILE HG13 H 1.543 0.030 2 710 75 75 ILE HG2 H 0.745 0.030 1 711 75 75 ILE HD1 H 0.621 0.030 1 712 75 75 ILE C C 171.977 0.300 1 713 75 75 ILE CA C 60.800 0.300 1 714 75 75 ILE CB C 41.671 0.300 1 715 75 75 ILE CG1 C 28.437 0.300 1 716 75 75 ILE CG2 C 16.082 0.300 1 717 75 75 ILE CD1 C 15.215 0.300 1 718 75 75 ILE N N 118.380 0.300 1 719 76 76 LEU H H 8.512 0.030 1 720 76 76 LEU HA H 5.190 0.030 1 721 76 76 LEU HB2 H 1.901 0.030 2 722 76 76 LEU HB3 H 0.992 0.030 2 723 76 76 LEU HG H 1.617 0.030 1 724 76 76 LEU HD1 H 0.846 0.030 1 725 76 76 LEU HD2 H 0.815 0.030 1 726 76 76 LEU C C 175.353 0.300 1 727 76 76 LEU CA C 54.771 0.300 1 728 76 76 LEU CB C 44.031 0.300 1 729 76 76 LEU CG C 26.886 0.300 1 730 76 76 LEU CD1 C 25.093 0.300 2 731 76 76 LEU CD2 C 23.253 0.300 2 732 76 76 LEU N N 124.059 0.300 1 733 77 77 PHE H H 9.598 0.030 1 734 77 77 PHE HA H 5.437 0.030 1 735 77 77 PHE HB2 H 2.651 0.030 2 736 77 77 PHE HB3 H 3.059 0.030 2 737 77 77 PHE HD1 H 6.888 0.030 1 738 77 77 PHE HD2 H 6.888 0.030 1 739 77 77 PHE HE1 H 7.000 0.030 1 740 77 77 PHE HE2 H 7.000 0.030 1 741 77 77 PHE HZ H 7.062 0.030 1 742 77 77 PHE C C 175.037 0.300 1 743 77 77 PHE CA C 54.842 0.300 1 744 77 77 PHE CB C 44.235 0.300 1 745 77 77 PHE CD1 C 131.753 0.300 1 746 77 77 PHE CD2 C 131.753 0.300 1 747 77 77 PHE CE1 C 130.654 0.300 1 748 77 77 PHE CE2 C 130.654 0.300 1 749 77 77 PHE CZ C 129.436 0.300 1 750 77 77 PHE N N 123.907 0.300 1 751 78 78 THR H H 8.057 0.030 1 752 78 78 THR HA H 4.410 0.030 1 753 78 78 THR HB H 3.735 0.030 1 754 78 78 THR HG2 H 0.932 0.030 1 755 78 78 THR C C 171.431 0.300 1 756 78 78 THR CA C 61.755 0.300 1 757 78 78 THR CB C 68.442 0.300 1 758 78 78 THR CG2 C 22.297 0.300 1 759 78 78 THR N N 125.704 0.300 1 760 79 79 ALA H H 9.186 0.030 1 761 79 79 ALA HA H 4.731 0.030 1 762 79 79 ALA HB H 1.407 0.030 1 763 79 79 ALA C C 175.352 0.300 1 764 79 79 ALA CA C 50.916 0.300 1 765 79 79 ALA CB C 20.240 0.300 1 766 79 79 ALA N N 130.846 0.300 1 767 80 80 ARG H H 8.350 0.030 1 768 80 80 ARG HA H 5.048 0.030 1 769 80 80 ARG HB2 H 1.747 0.030 2 770 80 80 ARG HB3 H 1.539 0.030 2 771 80 80 ARG HG2 H 1.518 0.030 2 772 80 80 ARG HG3 H 1.454 0.030 2 773 80 80 ARG HD2 H 3.155 0.030 1 774 80 80 ARG HD3 H 3.155 0.030 1 775 80 80 ARG C C 177.138 0.300 1 776 80 80 ARG CA C 54.328 0.300 1 777 80 80 ARG CB C 33.370 0.300 1 778 80 80 ARG CG C 28.257 0.300 1 779 80 80 ARG CD C 43.455 0.300 1 780 80 80 ARG N N 119.553 0.300 1 781 81 81 ASN H H 9.404 0.030 1 782 81 81 ASN HA H 4.313 0.030 1 783 81 81 ASN HB2 H 3.077 0.030 2 784 81 81 ASN HB3 H 2.988 0.030 2 785 81 81 ASN HD21 H 7.800 0.030 2 786 81 81 ASN HD22 H 7.076 0.030 2 787 81 81 ASN CA C 55.492 0.300 1 788 81 81 ASN CB C 37.122 0.300 1 789 81 81 ASN N N 121.630 0.300 1 790 81 81 ASN ND2 N 114.189 0.300 1 791 82 82 ASP H H 8.627 0.030 1 792 82 82 ASP HA H 4.433 0.030 1 793 82 82 ASP HB2 H 2.817 0.030 1 794 82 82 ASP HB3 H 2.817 0.030 1 795 82 82 ASP C C 177.550 0.300 1 796 82 82 ASP CA C 56.258 0.300 1 797 82 82 ASP CB C 39.371 0.300 1 798 82 82 ASP N N 120.463 0.300 1 799 83 83 GLN H H 8.202 0.030 1 800 83 83 GLN HA H 4.032 0.030 1 801 83 83 GLN HB2 H 2.331 0.030 2 802 83 83 GLN HB3 H 1.902 0.030 2 803 83 83 GLN HG2 H 2.832 0.030 2 804 83 83 GLN HG3 H 2.465 0.030 2 805 83 83 GLN HE21 H 8.052 0.030 2 806 83 83 GLN HE22 H 7.447 0.030 2 807 83 83 GLN C C 178.547 0.300 1 808 83 83 GLN CA C 57.494 0.300 1 809 83 83 GLN CB C 28.849 0.300 1 810 83 83 GLN CG C 33.541 0.300 1 811 83 83 GLN N N 117.518 0.300 1 812 83 83 GLN NE2 N 111.369 0.300 1 813 84 84 VAL H H 7.569 0.030 1 814 84 84 VAL HA H 3.205 0.030 1 815 84 84 VAL HB H 2.010 0.030 1 816 84 84 VAL HG1 H 0.870 0.030 1 817 84 84 VAL HG2 H 0.837 0.030 1 818 84 84 VAL C C 177.818 0.300 1 819 84 84 VAL CA C 65.922 0.300 1 820 84 84 VAL CB C 31.834 0.300 1 821 84 84 VAL CG1 C 22.734 0.300 2 822 84 84 VAL CG2 C 21.396 0.300 2 823 84 84 VAL N N 115.650 0.300 1 824 85 85 ASP H H 7.389 0.030 1 825 85 85 ASP HA H 4.345 0.030 1 826 85 85 ASP HB2 H 2.707 0.030 2 827 85 85 ASP HB3 H 2.585 0.030 2 828 85 85 ASP C C 176.628 0.300 1 829 85 85 ASP CA C 56.592 0.300 1 830 85 85 ASP CB C 40.569 0.300 1 831 85 85 ASP N N 116.206 0.300 1 832 86 86 LEU H H 7.028 0.030 1 833 86 86 LEU HA H 4.275 0.030 1 834 86 86 LEU HB2 H 1.687 0.030 2 835 86 86 LEU HB3 H 1.413 0.030 2 836 86 86 LEU HG H 1.671 0.030 1 837 86 86 LEU HD1 H 0.910 0.030 1 838 86 86 LEU HD2 H 0.857 0.030 1 839 86 86 LEU C C 177.684 0.300 1 840 86 86 LEU CA C 55.495 0.300 1 841 86 86 LEU CB C 43.775 0.300 1 842 86 86 LEU CG C 27.406 0.300 1 843 86 86 LEU CD1 C 26.019 0.300 2 844 86 86 LEU CD2 C 23.345 0.300 2 845 86 86 LEU N N 116.538 0.300 1 846 87 87 MET H H 6.972 0.030 1 847 87 87 MET HA H 4.605 0.030 1 848 87 87 MET HB2 H 1.728 0.030 2 849 87 87 MET HB3 H 2.122 0.030 2 850 87 87 MET HG2 H 2.440 0.030 2 851 87 87 MET HG3 H 2.280 0.030 2 852 87 87 MET HE H 1.006 0.030 1 853 87 87 MET C C 175.061 0.300 1 854 87 87 MET CA C 52.242 0.300 1 855 87 87 MET CB C 30.189 0.300 1 856 87 87 MET CG C 31.383 0.300 1 857 87 87 MET CE C 16.046 0.300 1 858 87 87 MET N N 118.453 0.300 1 859 88 88 LYS H H 7.104 0.030 1 860 88 88 LYS HA H 4.512 0.030 1 861 88 88 LYS HB2 H 1.685 0.030 2 862 88 88 LYS HB3 H 1.575 0.030 2 863 88 88 LYS HG2 H 1.443 0.030 2 864 88 88 LYS HG3 H 1.334 0.030 2 865 88 88 LYS HD2 H 1.701 0.030 2 866 88 88 LYS HD3 H 1.657 0.030 2 867 88 88 LYS HE2 H 3.035 0.030 2 868 88 88 LYS HE3 H 2.990 0.030 2 869 88 88 LYS C C 174.054 0.300 1 870 88 88 LYS CA C 53.067 0.300 1 871 88 88 LYS CB C 32.741 0.300 1 872 88 88 LYS CG C 24.519 0.300 1 873 88 88 LYS CD C 29.109 0.300 1 874 88 88 LYS N N 121.516 0.300 1 875 89 89 PRO HA H 3.716 0.030 1 876 89 89 PRO HB2 H 1.908 0.030 2 877 89 89 PRO HB3 H 2.126 0.030 2 878 89 89 PRO HG2 H 1.648 0.030 2 879 89 89 PRO HG3 H 2.334 0.030 2 880 89 89 PRO HD2 H 3.611 0.030 2 881 89 89 PRO HD3 H 3.810 0.030 2 882 89 89 PRO CA C 64.348 0.300 1 883 89 89 PRO CB C 31.370 0.300 1 884 89 89 PRO CG C 28.837 0.300 1 885 89 89 PRO CD C 50.157 0.300 1 886 90 90 GLY H H 8.958 0.030 1 887 90 90 GLY HA2 H 3.681 0.030 2 888 90 90 GLY HA3 H 4.467 0.030 2 889 90 90 GLY C C 174.175 0.300 1 890 90 90 GLY CA C 44.948 0.300 1 891 90 90 GLY N N 113.718 0.300 1 892 91 91 ALA H H 8.368 0.030 1 893 91 91 ALA HA H 4.393 0.030 1 894 91 91 ALA HB H 1.539 0.030 1 895 91 91 ALA C C 176.628 0.300 1 896 91 91 ALA CA C 52.897 0.300 1 897 91 91 ALA CB C 20.237 0.300 1 898 91 91 ALA N N 124.795 0.300 1 899 92 92 THR H H 8.439 0.030 1 900 92 92 THR HA H 5.213 0.030 1 901 92 92 THR HB H 3.861 0.030 1 902 92 92 THR HG2 H 0.988 0.030 1 903 92 92 THR C C 173.945 0.300 1 904 92 92 THR CA C 62.427 0.300 1 905 92 92 THR CB C 69.293 0.300 1 906 92 92 THR CG2 C 21.882 0.300 1 907 92 92 THR N N 116.870 0.300 1 908 93 93 VAL H H 9.093 0.030 1 909 93 93 VAL HA H 5.112 0.030 1 910 93 93 VAL HB H 1.868 0.030 1 911 93 93 VAL HG1 H 0.705 0.030 1 912 93 93 VAL HG2 H 0.446 0.030 1 913 93 93 VAL C C 174.066 0.300 1 914 93 93 VAL CA C 58.572 0.300 1 915 93 93 VAL CB C 36.161 0.300 1 916 93 93 VAL CG1 C 21.266 0.300 2 917 93 93 VAL CG2 C 18.484 0.300 2 918 93 93 VAL N N 117.838 0.300 1 919 94 94 ILE H H 9.290 0.030 1 920 94 94 ILE HA H 4.891 0.030 1 921 94 94 ILE HB H 1.690 0.030 1 922 94 94 ILE HG12 H 1.641 0.030 2 923 94 94 ILE HG13 H 1.273 0.030 2 924 94 94 ILE HG2 H 0.765 0.030 1 925 94 94 ILE HD1 H 0.952 0.030 1 926 94 94 ILE C C 175.851 0.300 1 927 94 94 ILE CA C 60.571 0.300 1 928 94 94 ILE CB C 40.570 0.300 1 929 94 94 ILE CG1 C 28.116 0.300 1 930 94 94 ILE CG2 C 17.420 0.300 1 931 94 94 ILE CD1 C 13.948 0.300 1 932 94 94 ILE N N 120.385 0.300 1 933 95 95 LEU H H 9.047 0.030 1 934 95 95 LEU HA H 4.865 0.030 1 935 95 95 LEU HB2 H 1.101 0.030 2 936 95 95 LEU HB3 H 1.981 0.030 2 937 95 95 LEU HG H 1.529 0.030 1 938 95 95 LEU HD1 H 0.538 0.030 1 939 95 95 LEU HD2 H 0.628 0.030 1 940 95 95 LEU C C 175.073 0.300 1 941 95 95 LEU CA C 52.823 0.300 1 942 95 95 LEU CB C 42.799 0.300 1 943 95 95 LEU CG C 26.671 0.300 1 944 95 95 LEU CD1 C 25.186 0.300 2 945 95 95 LEU CD2 C 27.923 0.300 2 946 95 95 LEU N N 126.255 0.300 1 947 96 96 ARG H H 9.038 0.030 1 948 96 96 ARG HA H 4.829 0.030 1 949 96 96 ARG HB2 H 1.728 0.030 2 950 96 96 ARG HB3 H 1.667 0.030 2 951 96 96 ARG HG2 H 1.519 0.030 2 952 96 96 ARG HG3 H 1.453 0.030 2 953 96 96 ARG HD2 H 3.241 0.030 2 954 96 96 ARG HD3 H 2.882 0.030 2 955 96 96 ARG HE H 7.810 0.030 1 956 96 96 ARG C C 175.426 0.300 1 957 96 96 ARG CA C 54.753 0.300 1 958 96 96 ARG CB C 31.463 0.300 1 959 96 96 ARG CG C 28.260 0.300 1 960 96 96 ARG CD C 43.244 0.300 1 961 96 96 ARG N N 119.795 0.300 1 962 96 96 ARG NE N 84.933 0.300 1 963 97 97 ASN H H 7.629 0.030 1 964 97 97 ASN HA H 3.933 0.030 1 965 97 97 ASN HB2 H 3.357 0.030 2 966 97 97 ASN HB3 H 2.599 0.030 2 967 97 97 ASN HD21 H 7.324 0.030 2 968 97 97 ASN HD22 H 6.968 0.030 2 969 97 97 ASN C C 174.624 0.300 1 970 97 97 ASN CA C 54.099 0.300 1 971 97 97 ASN CB C 37.727 0.300 1 972 97 97 ASN N N 120.020 0.300 1 973 97 97 ASN ND2 N 111.073 0.300 1 974 98 98 SER H H 9.341 0.030 1 975 98 98 SER HA H 4.657 0.030 1 976 98 98 SER HB2 H 4.214 0.030 2 977 98 98 SER HB3 H 3.745 0.030 2 978 98 98 SER C C 172.803 0.300 1 979 98 98 SER CA C 59.156 0.300 1 980 98 98 SER CB C 66.546 0.300 1 981 98 98 SER N N 116.131 0.300 1 982 99 99 ARG H H 9.071 0.030 1 983 99 99 ARG HA H 5.117 0.030 1 984 99 99 ARG HB2 H 1.861 0.030 2 985 99 99 ARG HB3 H 1.777 0.030 2 986 99 99 ARG HG2 H 1.654 0.030 2 987 99 99 ARG HG3 H 1.347 0.030 2 988 99 99 ARG HD2 H 3.227 0.030 2 989 99 99 ARG HD3 H 3.119 0.030 2 990 99 99 ARG HE H 8.102 0.030 1 991 99 99 ARG C C 173.981 0.300 1 992 99 99 ARG CA C 54.559 0.300 1 993 99 99 ARG CB C 34.055 0.300 1 994 99 99 ARG CG C 25.809 0.300 1 995 99 99 ARG CD C 43.237 0.300 1 996 99 99 ARG N N 115.235 0.300 1 997 99 99 ARG NE N 86.076 0.300 1 998 100 100 ILE H H 7.757 0.030 1 999 100 100 ILE HA H 5.047 0.030 1 1000 100 100 ILE HB H 2.241 0.030 1 1001 100 100 ILE HG12 H 1.431 0.030 2 1002 100 100 ILE HG13 H 1.348 0.030 2 1003 100 100 ILE HG2 H 0.814 0.030 1 1004 100 100 ILE HD1 H 0.686 0.030 1 1005 100 100 ILE C C 175.474 0.300 1 1006 100 100 ILE CA C 57.370 0.300 1 1007 100 100 ILE CB C 37.274 0.300 1 1008 100 100 ILE CG1 C 25.677 0.300 1 1009 100 100 ILE CG2 C 17.892 0.300 1 1010 100 100 ILE CD1 C 11.954 0.300 1 1011 100 100 ILE N N 121.348 0.300 1 1012 101 101 ASP H H 9.100 0.030 1 1013 101 101 ASP HA H 5.030 0.030 1 1014 101 101 ASP HB2 H 2.564 0.030 2 1015 101 101 ASP HB3 H 2.327 0.030 2 1016 101 101 ASP C C 173.750 0.300 1 1017 101 101 ASP CA C 53.091 0.300 1 1018 101 101 ASP CB C 44.979 0.300 1 1019 101 101 ASP N N 127.464 0.300 1 1020 102 102 MET H H 8.444 0.030 1 1021 102 102 MET HA H 5.406 0.030 1 1022 102 102 MET HB2 H 1.950 0.030 2 1023 102 102 MET HB3 H 1.784 0.030 2 1024 102 102 MET HG2 H 2.637 0.030 2 1025 102 102 MET HG3 H 2.582 0.030 2 1026 102 102 MET HE H 1.688 0.030 1 1027 102 102 MET C C 177.186 0.300 1 1028 102 102 MET CA C 52.763 0.300 1 1029 102 102 MET CB C 31.818 0.300 1 1030 102 102 MET CG C 31.736 0.300 1 1031 102 102 MET CE C 15.731 0.300 1 1032 102 102 MET N N 117.066 0.300 1 1033 103 103 PHE H H 9.911 0.030 1 1034 103 103 PHE HA H 4.762 0.030 1 1035 103 103 PHE HB2 H 2.900 0.030 2 1036 103 103 PHE HB3 H 2.753 0.030 2 1037 103 103 PHE HD1 H 7.234 0.030 1 1038 103 103 PHE HD2 H 7.234 0.030 1 1039 103 103 PHE HE1 H 7.305 0.030 1 1040 103 103 PHE HE2 H 7.305 0.030 1 1041 103 103 PHE HZ H 7.365 0.030 1 1042 103 103 PHE C C 174.418 0.300 1 1043 103 103 PHE CA C 57.219 0.300 1 1044 103 103 PHE CB C 41.272 0.300 1 1045 103 103 PHE CD1 C 132.009 0.300 1 1046 103 103 PHE CD2 C 132.009 0.300 1 1047 103 103 PHE CE1 C 129.826 0.300 1 1048 103 103 PHE CE2 C 129.826 0.300 1 1049 103 103 PHE CZ C 131.540 0.300 1 1050 103 103 PHE N N 125.371 0.300 1 1051 104 104 LYS H H 9.275 0.030 1 1052 104 104 LYS HA H 3.650 0.030 1 1053 104 104 LYS HB2 H 1.717 0.030 2 1054 104 104 LYS HB3 H 1.485 0.030 2 1055 104 104 LYS HG2 H 0.796 0.030 2 1056 104 104 LYS HG3 H 0.409 0.030 2 1057 104 104 LYS HD2 H 1.435 0.030 1 1058 104 104 LYS HD3 H 1.435 0.030 1 1059 104 104 LYS HE2 H 2.835 0.030 2 1060 104 104 LYS HE3 H 2.780 0.030 2 1061 104 104 LYS C C 176.725 0.300 1 1062 104 104 LYS CA C 57.308 0.300 1 1063 104 104 LYS CB C 29.926 0.300 1 1064 104 104 LYS CG C 24.664 0.300 1 1065 104 104 LYS CD C 29.270 0.300 1 1066 104 104 LYS CE C 42.088 0.300 1 1067 104 104 LYS N N 128.141 0.300 1 1068 105 105 GLY H H 8.591 0.030 1 1069 105 105 GLY HA2 H 3.712 0.030 2 1070 105 105 GLY HA3 H 4.268 0.030 2 1071 105 105 GLY C C 172.900 0.300 1 1072 105 105 GLY CA C 45.912 0.300 1 1073 105 105 GLY N N 103.477 0.300 1 1074 106 106 THR H H 7.962 0.030 1 1075 106 106 THR HA H 5.235 0.030 1 1076 106 106 THR HB H 4.655 0.030 1 1077 106 106 THR HG2 H 1.192 0.030 1 1078 106 106 THR C C 174.139 0.300 1 1079 106 106 THR CA C 59.050 0.300 1 1080 106 106 THR CB C 73.267 0.300 1 1081 106 106 THR CG2 C 21.984 0.300 1 1082 106 106 THR N N 108.696 0.300 1 1083 107 107 MET H H 10.161 0.030 1 1084 107 107 MET HA H 4.755 0.030 1 1085 107 107 MET HB2 H 2.010 0.030 2 1086 107 107 MET HB3 H 1.819 0.030 2 1087 107 107 MET HG2 H 2.810 0.030 2 1088 107 107 MET HG3 H 2.218 0.030 2 1089 107 107 MET HE H 2.017 0.030 1 1090 107 107 MET C C 178.619 0.300 1 1091 107 107 MET CA C 58.166 0.300 1 1092 107 107 MET CB C 37.644 0.300 1 1093 107 107 MET CG C 32.320 0.300 1 1094 107 107 MET CE C 16.829 0.300 1 1095 107 107 MET N N 121.004 0.300 1 1096 108 108 ARG H H 9.111 0.030 1 1097 108 108 ARG HA H 4.866 0.030 1 1098 108 108 ARG HB2 H 1.782 0.030 2 1099 108 108 ARG HB3 H 1.598 0.030 2 1100 108 108 ARG HG2 H 1.496 0.030 2 1101 108 108 ARG HG3 H 1.423 0.030 2 1102 108 108 ARG HD2 H 3.179 0.030 1 1103 108 108 ARG HD3 H 3.179 0.030 1 1104 108 108 ARG C C 174.625 0.300 1 1105 108 108 ARG CA C 53.798 0.300 1 1106 108 108 ARG CB C 33.145 0.300 1 1107 108 108 ARG CG C 29.741 0.300 1 1108 108 108 ARG CD C 43.372 0.300 1 1109 108 108 ARG N N 122.208 0.300 1 1110 109 109 LEU H H 8.949 0.030 1 1111 109 109 LEU HA H 5.213 0.030 1 1112 109 109 LEU HB2 H 1.316 0.030 2 1113 109 109 LEU HB3 H 1.868 0.030 2 1114 109 109 LEU HG H 1.855 0.030 1 1115 109 109 LEU HD1 H 0.994 0.030 1 1116 109 109 LEU HD2 H 0.877 0.030 1 1117 109 109 LEU C C 174.102 0.300 1 1118 109 109 LEU CA C 53.215 0.300 1 1119 109 109 LEU CB C 45.962 0.300 1 1120 109 109 LEU CG C 27.629 0.300 1 1121 109 109 LEU CD1 C 23.404 0.300 2 1122 109 109 LEU CD2 C 27.021 0.300 2 1123 109 109 LEU N N 125.196 0.300 1 1124 110 110 GLY H H 8.538 0.030 1 1125 110 110 GLY HA2 H 3.556 0.030 1 1126 110 110 GLY HA3 H 3.556 0.030 1 1127 110 110 GLY C C 171.516 0.300 1 1128 110 110 GLY CA C 44.526 0.300 1 1129 110 110 GLY N N 110.014 0.300 1 1130 111 111 VAL H H 9.302 0.030 1 1131 111 111 VAL HA H 4.541 0.030 1 1132 111 111 VAL HB H 1.975 0.030 1 1133 111 111 VAL HG1 H 0.953 0.030 1 1134 111 111 VAL HG2 H 1.032 0.030 1 1135 111 111 VAL C C 175.244 0.300 1 1136 111 111 VAL CA C 62.214 0.300 1 1137 111 111 VAL CB C 35.872 0.300 1 1138 111 111 VAL CG1 C 21.955 0.300 2 1139 111 111 VAL CG2 C 22.691 0.300 2 1140 111 111 VAL N N 120.217 0.300 1 1141 112 112 ASP H H 8.721 0.030 1 1142 112 112 ASP HA H 4.681 0.030 1 1143 112 112 ASP HB2 H 3.330 0.030 2 1144 112 112 ASP HB3 H 2.634 0.030 2 1145 112 112 ASP C C 177.429 0.300 1 1146 112 112 ASP CA C 51.959 0.300 1 1147 112 112 ASP CB C 41.683 0.300 1 1148 112 112 ASP N N 129.104 0.300 1 1149 113 113 LYS H H 7.868 0.030 1 1150 113 113 LYS HA H 4.039 0.030 1 1151 113 113 LYS HB2 H 1.510 0.030 2 1152 113 113 LYS HB3 H 1.403 0.030 2 1153 113 113 LYS HG2 H 0.800 0.030 2 1154 113 113 LYS HG3 H -0.102 0.030 2 1155 113 113 LYS HD2 H 1.259 0.030 2 1156 113 113 LYS HD3 H 1.199 0.030 2 1157 113 113 LYS HE2 H 2.478 0.030 2 1158 113 113 LYS HE3 H 2.353 0.030 2 1159 113 113 LYS C C 176.482 0.300 1 1160 113 113 LYS CA C 58.236 0.300 1 1161 113 113 LYS CB C 31.175 0.300 1 1162 113 113 LYS CG C 22.393 0.300 1 1163 113 113 LYS CD C 29.130 0.300 1 1164 113 113 LYS CE C 41.545 0.300 1 1165 113 113 LYS N N 114.911 0.300 1 1166 114 114 TRP H H 8.194 0.030 1 1167 114 114 TRP HA H 4.854 0.030 1 1168 114 114 TRP HB2 H 3.255 0.030 2 1169 114 114 TRP HB3 H 3.518 0.030 2 1170 114 114 TRP HD1 H 7.476 0.030 1 1171 114 114 TRP HE1 H 10.138 0.030 1 1172 114 114 TRP HE3 H 7.787 0.030 1 1173 114 114 TRP HZ2 H 7.514 0.030 1 1174 114 114 TRP HH2 H 7.255 0.030 1 1175 114 114 TRP C C 176.968 0.300 1 1176 114 114 TRP CA C 56.628 0.300 1 1177 114 114 TRP CB C 28.949 0.300 1 1178 114 114 TRP CD1 C 128.355 0.300 1 1179 114 114 TRP CE3 C 121.234 0.300 1 1180 114 114 TRP CZ2 C 114.579 0.300 1 1181 114 114 TRP CZ3 C 121.791 0.300 1 1182 114 114 TRP CH2 C 124.530 0.300 1 1183 114 114 TRP N N 120.104 0.300 1 1184 114 114 TRP NE1 N 128.896 0.300 1 1185 115 115 GLY H H 8.079 0.030 1 1186 115 115 GLY HA2 H 4.936 0.030 2 1187 115 115 GLY HA3 H 4.053 0.030 2 1188 115 115 GLY C C 173.143 0.300 1 1189 115 115 GLY CA C 44.923 0.300 1 1190 115 115 GLY N N 110.865 0.300 1 1191 116 116 ARG H H 8.589 0.030 1 1192 116 116 ARG HA H 4.743 0.030 1 1193 116 116 ARG HB2 H 1.862 0.030 2 1194 116 116 ARG HB3 H 1.708 0.030 2 1195 116 116 ARG HG2 H 1.541 0.030 1 1196 116 116 ARG HG3 H 1.541 0.030 1 1197 116 116 ARG HD2 H 3.253 0.030 1 1198 116 116 ARG HD3 H 3.253 0.030 1 1199 116 116 ARG C C 173.422 0.300 1 1200 116 116 ARG CA C 55.301 0.300 1 1201 116 116 ARG CB C 35.007 0.300 1 1202 116 116 ARG CG C 27.105 0.300 1 1203 116 116 ARG CD C 43.537 0.300 1 1204 116 116 ARG N N 116.427 0.300 1 1205 117 117 ILE H H 8.407 0.030 1 1206 117 117 ILE HA H 4.792 0.030 1 1207 117 117 ILE HB H 1.682 0.030 1 1208 117 117 ILE HG12 H 1.715 0.030 2 1209 117 117 ILE HG13 H 1.540 0.030 2 1210 117 117 ILE HG2 H 0.698 0.030 1 1211 117 117 ILE HD1 H 0.951 0.030 1 1212 117 117 ILE C C 174.952 0.300 1 1213 117 117 ILE CA C 61.065 0.300 1 1214 117 117 ILE CB C 39.911 0.300 1 1215 117 117 ILE CG1 C 26.959 0.300 1 1216 117 117 ILE CG2 C 17.738 0.300 1 1217 117 117 ILE CD1 C 14.941 0.300 1 1218 117 117 ILE N N 121.067 0.300 1 1219 118 118 GLU H H 9.296 0.030 1 1220 118 118 GLU HA H 4.718 0.030 1 1221 118 118 GLU HB2 H 1.908 0.030 2 1222 118 118 GLU HB3 H 2.084 0.030 2 1223 118 118 GLU HG2 H 2.264 0.030 2 1224 118 118 GLU HG3 H 2.145 0.030 2 1225 118 118 GLU C C 174.965 0.300 1 1226 118 118 GLU CA C 53.976 0.300 1 1227 118 118 GLU CB C 33.441 0.300 1 1228 118 118 GLU CG C 35.955 0.300 1 1229 118 118 GLU N N 126.713 0.300 1 1230 119 119 ALA H H 8.796 0.030 1 1231 119 119 ALA HA H 4.538 0.030 1 1232 119 119 ALA HB H 1.489 0.030 1 1233 119 119 ALA C C 177.174 0.300 1 1234 119 119 ALA CA C 53.144 0.300 1 1235 119 119 ALA CB C 19.100 0.300 1 1236 119 119 ALA N N 127.413 0.300 1 1237 120 120 THR H H 7.804 0.030 1 1238 120 120 THR HA H 4.731 0.030 1 1239 120 120 THR HB H 3.943 0.030 1 1240 120 120 THR HG2 H 1.120 0.030 1 1241 120 120 THR C C 172.949 0.300 1 1242 120 120 THR CA C 59.474 0.300 1 1243 120 120 THR CB C 70.293 0.300 1 1244 120 120 THR CG2 C 18.784 0.300 1 1245 120 120 THR N N 115.471 0.300 1 1246 121 121 GLY H H 7.990 0.030 1 1247 121 121 GLY HA2 H 4.024 0.030 2 1248 121 121 GLY HA3 H 3.711 0.030 2 1249 121 121 GLY C C 174.163 0.300 1 1250 121 121 GLY CA C 44.782 0.300 1 1251 121 121 GLY N N 108.793 0.300 1 1252 122 122 ALA H H 8.084 0.030 1 1253 122 122 ALA HA H 4.015 0.030 1 1254 122 122 ALA HB H 1.302 0.030 1 1255 122 122 ALA C C 178.740 0.300 1 1256 122 122 ALA CA C 52.896 0.300 1 1257 122 122 ALA CB C 18.874 0.300 1 1258 122 122 ALA N N 122.204 0.300 1 1259 123 123 ALA H H 8.303 0.030 1 1260 123 123 ALA HA H 4.145 0.030 1 1261 123 123 ALA HB H 0.563 0.030 1 1262 123 123 ALA CA C 51.343 0.300 1 1263 123 123 ALA CB C 20.140 0.300 1 1264 123 123 ALA N N 125.981 0.300 1 1265 124 124 SER HA H 4.423 0.030 1 1266 124 124 SER HB2 H 3.957 0.030 2 1267 124 124 SER HB3 H 3.862 0.030 2 1268 124 124 SER C C 174.588 0.300 1 1269 124 124 SER CA C 58.130 0.300 1 1270 124 124 SER CB C 63.812 0.300 1 1271 125 125 PHE H H 6.398 0.030 1 1272 125 125 PHE HA H 4.768 0.030 1 1273 125 125 PHE HB2 H 3.377 0.030 2 1274 125 125 PHE HB3 H 3.193 0.030 2 1275 125 125 PHE HD1 H 7.071 0.030 1 1276 125 125 PHE HD2 H 7.071 0.030 1 1277 125 125 PHE HE1 H 7.390 0.030 1 1278 125 125 PHE HE2 H 7.390 0.030 1 1279 125 125 PHE HZ H 7.123 0.030 1 1280 125 125 PHE C C 174.685 0.300 1 1281 125 125 PHE CA C 54.735 0.300 1 1282 125 125 PHE CB C 39.928 0.300 1 1283 125 125 PHE CD1 C 132.742 0.300 1 1284 125 125 PHE CD2 C 132.742 0.300 1 1285 125 125 PHE CE1 C 131.826 0.300 1 1286 125 125 PHE CE2 C 131.826 0.300 1 1287 125 125 PHE CZ C 129.622 0.300 1 1288 125 125 PHE N N 116.698 0.300 1 1289 126 126 THR H H 8.746 0.030 1 1290 126 126 THR HA H 4.492 0.030 1 1291 126 126 THR HB H 4.054 0.030 1 1292 126 126 THR HG2 H 1.240 0.030 1 1293 126 126 THR C C 174.333 0.300 1 1294 126 126 THR CA C 61.348 0.300 1 1295 126 126 THR CB C 70.117 0.300 1 1296 126 126 THR CG2 C 21.697 0.300 1 1297 126 126 THR N N 117.125 0.300 1 1298 127 127 VAL H H 8.700 0.030 1 1299 127 127 VAL HA H 3.583 0.030 1 1300 127 127 VAL HB H 1.935 0.030 1 1301 127 127 VAL HG1 H 0.739 0.030 1 1302 127 127 VAL HG2 H 0.961 0.030 1 1303 127 127 VAL C C 175.900 0.300 1 1304 127 127 VAL CA C 62.657 0.300 1 1305 127 127 VAL CB C 31.546 0.300 1 1306 127 127 VAL CG1 C 21.532 0.300 2 1307 127 127 VAL CG2 C 23.345 0.300 2 1308 127 127 VAL N N 125.479 0.300 1 1309 128 128 LYS H H 8.028 0.030 1 1310 128 128 LYS HA H 4.418 0.030 1 1311 128 128 LYS HB2 H 1.635 0.030 2 1312 128 128 LYS HB3 H 1.502 0.030 2 1313 128 128 LYS HG2 H 1.406 0.030 2 1314 128 128 LYS HG3 H 1.274 0.030 2 1315 128 128 LYS HD2 H 1.715 0.030 2 1316 128 128 LYS HD3 H 1.596 0.030 2 1317 128 128 LYS HE2 H 3.086 0.030 2 1318 128 128 LYS HE3 H 2.947 0.030 2 1319 128 128 LYS C C 175.207 0.300 1 1320 128 128 LYS CA C 55.160 0.300 1 1321 128 128 LYS CB C 31.574 0.300 1 1322 128 128 LYS CG C 25.859 0.300 1 1323 128 128 LYS CD C 29.519 0.300 1 1324 128 128 LYS CE C 42.179 0.300 1 1325 128 128 LYS N N 130.155 0.300 1 1326 129 129 GLU H H 7.917 0.030 1 1327 129 129 GLU HA H 4.226 0.030 1 1328 129 129 GLU HB2 H 2.085 0.030 2 1329 129 129 GLU HB3 H 1.830 0.030 2 1330 129 129 GLU HG2 H 2.144 0.030 2 1331 129 129 GLU HG3 H 2.006 0.030 2 1332 129 129 GLU C C 175.912 0.300 1 1333 129 129 GLU CA C 58.607 0.300 1 1334 129 129 GLU CB C 30.328 0.300 1 1335 129 129 GLU CG C 38.098 0.300 1 1336 129 129 GLU N N 126.705 0.300 1 1337 130 130 ASP H H 8.182 0.030 1 1338 130 130 ASP HA H 4.493 0.030 1 1339 130 130 ASP HB2 H 2.835 0.030 2 1340 130 130 ASP HB3 H 2.561 0.030 2 1341 130 130 ASP C C 175.705 0.300 1 1342 130 130 ASP CA C 53.887 0.300 1 1343 130 130 ASP CB C 39.709 0.300 1 1344 130 130 ASP N N 113.730 0.300 1 1345 131 131 ASN H H 6.999 0.030 1 1346 131 131 ASN HA H 5.090 0.030 1 1347 131 131 ASN HB2 H 2.847 0.030 2 1348 131 131 ASN HB3 H 2.521 0.030 2 1349 131 131 ASN HD21 H 7.902 0.030 2 1350 131 131 ASN HD22 H 7.324 0.030 2 1351 131 131 ASN C C 171.977 0.300 1 1352 131 131 ASN CA C 51.874 0.300 1 1353 131 131 ASN CB C 39.087 0.300 1 1354 131 131 ASN N N 117.608 0.300 1 1355 131 131 ASN ND2 N 110.938 0.300 1 1356 132 132 ASN H H 8.310 0.030 1 1357 132 132 ASN HA H 5.186 0.030 1 1358 132 132 ASN HB2 H 2.976 0.030 2 1359 132 132 ASN HB3 H 2.471 0.030 2 1360 132 132 ASN HD21 H 7.662 0.030 2 1361 132 132 ASN HD22 H 5.806 0.030 2 1362 132 132 ASN C C 177.296 0.300 1 1363 132 132 ASN CA C 51.747 0.300 1 1364 132 132 ASN CB C 37.941 0.300 1 1365 132 132 ASN N N 119.917 0.300 1 1366 132 132 ASN ND2 N 107.724 0.300 1 1367 133 133 LEU H H 9.555 0.030 1 1368 133 133 LEU HA H 4.138 0.030 1 1369 133 133 LEU HB2 H 1.946 0.030 2 1370 133 133 LEU HB3 H 1.555 0.030 2 1371 133 133 LEU HG H 1.936 0.030 1 1372 133 133 LEU HD1 H 0.932 0.030 1 1373 133 133 LEU HD2 H 0.951 0.030 1 1374 133 133 LEU C C 180.732 0.300 1 1375 133 133 LEU CA C 58.413 0.300 1 1376 133 133 LEU CB C 42.713 0.300 1 1377 133 133 LEU CG C 30.577 0.300 1 1378 133 133 LEU CD1 C 26.059 0.300 2 1379 133 133 LEU CD2 C 25.110 0.300 2 1380 133 133 LEU N N 129.007 0.300 1 1381 134 134 SER H H 8.846 0.030 1 1382 134 134 SER HA H 4.805 0.030 1 1383 134 134 SER HB2 H 4.390 0.030 2 1384 134 134 SER HB3 H 4.054 0.030 2 1385 134 134 SER C C 172.257 0.300 1 1386 134 134 SER CA C 62.179 0.300 1 1387 134 134 SER CB C 63.729 0.300 1 1388 134 134 SER N N 114.721 0.300 1 1389 135 135 LEU H H 7.266 0.030 1 1390 135 135 LEU HA H 4.476 0.030 1 1391 135 135 LEU HB2 H 1.733 0.030 1 1392 135 135 LEU HB3 H 1.733 0.030 1 1393 135 135 LEU HG H 1.422 0.030 1 1394 135 135 LEU HD1 H 1.011 0.030 1 1395 135 135 LEU HD2 H 0.785 0.030 1 1396 135 135 LEU C C 177.272 0.300 1 1397 135 135 LEU CA C 54.492 0.300 1 1398 135 135 LEU CB C 41.683 0.300 1 1399 135 135 LEU CG C 26.650 0.300 1 1400 135 135 LEU CD1 C 25.597 0.300 2 1401 135 135 LEU CD2 C 21.697 0.300 2 1402 135 135 LEU N N 116.812 0.300 1 1403 136 136 VAL H H 6.837 0.030 1 1404 136 136 VAL HA H 3.771 0.030 1 1405 136 136 VAL HB H 1.989 0.030 1 1406 136 136 VAL HG1 H 0.985 0.030 1 1407 136 136 VAL HG2 H 0.452 0.030 1 1408 136 136 VAL C C 174.369 0.300 1 1409 136 136 VAL CA C 62.709 0.300 1 1410 136 136 VAL CB C 32.742 0.300 1 1411 136 136 VAL CG1 C 21.534 0.300 2 1412 136 136 VAL CG2 C 20.528 0.300 2 1413 136 136 VAL N N 119.861 0.300 1 1414 137 137 GLU H H 8.360 0.030 1 1415 137 137 GLU HA H 4.509 0.030 1 1416 137 137 GLU HB2 H 1.906 0.030 2 1417 137 137 GLU HB3 H 1.828 0.030 2 1418 137 137 GLU HG2 H 2.252 0.030 2 1419 137 137 GLU HG3 H 2.063 0.030 2 1420 137 137 GLU C C 176.337 0.300 1 1421 137 137 GLU CA C 55.531 0.300 1 1422 137 137 GLU CB C 30.556 0.300 1 1423 137 137 GLU CG C 36.775 0.300 1 1424 137 137 GLU N N 126.470 0.300 1 1425 138 138 TYR H H 9.375 0.030 1 1426 138 138 TYR HA H 4.455 0.030 1 1427 138 138 TYR HB2 H 3.000 0.030 2 1428 138 138 TYR HB3 H 2.625 0.030 2 1429 138 138 TYR HD1 H 7.227 0.030 1 1430 138 138 TYR HD2 H 7.227 0.030 1 1431 138 138 TYR HE1 H 6.917 0.030 1 1432 138 138 TYR HE2 H 6.917 0.030 1 1433 138 138 TYR C C 176.179 0.300 1 1434 138 138 TYR CA C 58.484 0.300 1 1435 138 138 TYR CB C 39.825 0.300 1 1436 138 138 TYR CD1 C 133.639 0.300 1 1437 138 138 TYR CD2 C 133.639 0.300 1 1438 138 138 TYR CE1 C 118.069 0.300 1 1439 138 138 TYR CE2 C 118.069 0.300 1 1440 138 138 TYR N N 125.342 0.300 1 1441 139 139 GLU H H 8.567 0.030 1 1442 139 139 GLU HA H 4.349 0.030 1 1443 139 139 GLU HB2 H 2.083 0.030 2 1444 139 139 GLU HB3 H 1.967 0.030 2 1445 139 139 GLU HG2 H 2.260 0.030 1 1446 139 139 GLU HG3 H 2.260 0.030 1 1447 139 139 GLU C C 176.349 0.300 1 1448 139 139 GLU CA C 56.379 0.300 1 1449 139 139 GLU CB C 30.580 0.300 1 1450 139 139 GLU CG C 36.289 0.300 1 1451 139 139 GLU N N 122.033 0.300 1 1452 140 140 SER H H 8.518 0.030 1 1453 140 140 SER HA H 4.497 0.030 1 1454 140 140 SER HB2 H 3.836 0.030 1 1455 140 140 SER HB3 H 3.836 0.030 1 1456 140 140 SER C C 174.636 0.300 1 1457 140 140 SER CA C 58.413 0.300 1 1458 140 140 SER CB C 63.977 0.300 1 1459 140 140 SER N N 117.700 0.300 1 1460 141 141 GLY H H 8.347 0.030 1 1461 141 141 GLY HA2 H 4.187 0.030 2 1462 141 141 GLY HA3 H 4.073 0.030 2 1463 141 141 GLY CA C 44.731 0.300 1 1464 141 141 GLY N N 111.006 0.300 1 1465 142 142 PRO HB2 H 2.309 0.030 1 1466 142 142 PRO HB3 H 2.309 0.030 1 1467 142 142 PRO HG2 H 2.021 0.030 1 1468 142 142 PRO HG3 H 2.021 0.030 1 1469 142 142 PRO HD2 H 3.630 0.030 1 1470 142 142 PRO HD3 H 3.630 0.030 1 1471 142 142 PRO CB C 32.270 0.300 1 1472 142 142 PRO CG C 27.391 0.300 1 1473 142 142 PRO CD C 49.832 0.300 1 stop_ save_