data_10130 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a novel beta-grasp fold like domain of Hypothetical protein (Arabidopsis thaliana) ; _BMRB_accession_number 10130 _BMRB_flat_file_name bmr10130.str _Entry_type new _Submission_date 2007-04-02 _Accession_date 2007-04-04 _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 Qin X. . . 2 Hayashi F. . . 3 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" 607 "13C chemical shifts" 457 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-09-02 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of a novel beta-grasp fold like domain of Hypothetical protein (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 Qin X. . . 2 Hayashi F. . . 3 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _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 'NPL4 family protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NPL4 family protein' $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 'Hypothetical domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; GSSGSSGTMLRVRSRDGLER VSVDGPHITVSQLKTLIQDQ LQIPIHNQTLSTNRNLLLAK SPSDFLAFTDMADPNLRISS LNLAHGSMVYLAYEGERTIR GSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 MET 10 LEU 11 ARG 12 VAL 13 ARG 14 SER 15 ARG 16 ASP 17 GLY 18 LEU 19 GLU 20 ARG 21 VAL 22 SER 23 VAL 24 ASP 25 GLY 26 PRO 27 HIS 28 ILE 29 THR 30 VAL 31 SER 32 GLN 33 LEU 34 LYS 35 THR 36 LEU 37 ILE 38 GLN 39 ASP 40 GLN 41 LEU 42 GLN 43 ILE 44 PRO 45 ILE 46 HIS 47 ASN 48 GLN 49 THR 50 LEU 51 SER 52 THR 53 ASN 54 ARG 55 ASN 56 LEU 57 LEU 58 LEU 59 ALA 60 LYS 61 SER 62 PRO 63 SER 64 ASP 65 PHE 66 LEU 67 ALA 68 PHE 69 THR 70 ASP 71 MET 72 ALA 73 ASP 74 PRO 75 ASN 76 LEU 77 ARG 78 ILE 79 SER 80 SER 81 LEU 82 ASN 83 LEU 84 ALA 85 HIS 86 GLY 87 SER 88 MET 89 VAL 90 TYR 91 LEU 92 ALA 93 TYR 94 GLU 95 GLY 96 GLU 97 ARG 98 THR 99 ILE 100 ARG 101 GLY 102 SER 103 GLY 104 PRO 105 SER 106 SER 107 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 1WF9 "Solution Structure Of A Novel Beta-Grasp Fold Like Domain Of Hypothetical Protein (Arabidopsis Thaliana)" 100.00 107 100.00 100.00 3.07e-69 EMBL CAB87745 "putative protein [Arabidopsis thaliana]" 91.59 413 97.96 98.98 7.39e-58 GB AAK59569 "unknown protein [Arabidopsis thaliana]" 91.59 413 97.96 98.98 7.39e-58 GB AAL07248 "unknown protein [Arabidopsis thaliana]" 91.59 413 97.96 98.98 7.39e-58 GB ABG89129 "NPL4a [synthetic construct]" 91.59 413 97.96 98.98 7.39e-58 GB AEE80422 "nuclear protein localization protein 4-like protein [Arabidopsis thaliana]" 91.59 413 97.96 98.98 7.39e-58 REF NP_191859 "NPL4-like protein 1 [Arabidopsis thaliana]" 91.59 413 97.96 98.98 7.39e-58 SP Q9LYC2 "RecName: Full=NPL4-like protein 1" 91.59 413 97.96 98.98 7.39e-58 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 P030212-84 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 1.07 mM '[U-13C; U-15]' PiNa 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 VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.854 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 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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 6.0 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 'NPL4 family protein' _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 1 1 GLY HA2 H 3.910 0.030 1 2 1 1 GLY HA3 H 3.910 0.030 1 3 1 1 GLY CA C 43.513 0.300 1 4 2 2 SER HA H 4.572 0.030 1 5 2 2 SER HB2 H 3.915 0.030 1 6 2 2 SER HB3 H 3.915 0.030 1 7 2 2 SER C C 174.678 0.300 1 8 2 2 SER CA C 58.418 0.300 1 9 2 2 SER CB C 63.798 0.300 1 10 3 3 SER HA H 4.526 0.030 1 11 3 3 SER HB2 H 3.915 0.030 1 12 3 3 SER HB3 H 3.915 0.030 1 13 3 3 SER C C 174.498 0.300 1 14 3 3 SER CA C 58.508 0.300 1 15 3 3 SER CB C 63.927 0.300 1 16 4 4 GLY H H 8.453 0.030 1 17 4 4 GLY HA2 H 3.995 0.030 1 18 4 4 GLY HA3 H 3.995 0.030 1 19 4 4 GLY C C 174.272 0.300 1 20 4 4 GLY CA C 45.398 0.300 1 21 4 4 GLY N N 110.925 0.300 1 22 5 5 SER H H 8.278 0.030 1 23 5 5 SER HA H 4.536 0.030 1 24 5 5 SER HB2 H 3.885 0.030 1 25 5 5 SER HB3 H 3.885 0.030 1 26 5 5 SER C C 174.672 0.300 1 27 5 5 SER CA C 58.274 0.300 1 28 5 5 SER CB C 63.957 0.300 1 29 5 5 SER N N 115.686 0.300 1 30 6 6 SER H H 8.402 0.030 1 31 6 6 SER HA H 4.518 0.030 1 32 6 6 SER HB2 H 3.903 0.030 1 33 6 6 SER HB3 H 3.903 0.030 1 34 6 6 SER C C 174.693 0.300 1 35 6 6 SER CA C 58.430 0.300 1 36 6 6 SER CB C 63.926 0.300 1 37 6 6 SER N N 117.877 0.300 1 38 7 7 GLY H H 8.275 0.030 1 39 7 7 GLY HA2 H 3.998 0.030 1 40 7 7 GLY HA3 H 3.998 0.030 1 41 7 7 GLY C C 173.742 0.300 1 42 7 7 GLY CA C 45.336 0.300 1 43 7 7 GLY N N 110.484 0.300 1 44 8 8 THR H H 8.305 0.030 1 45 8 8 THR HA H 4.649 0.030 1 46 8 8 THR HB H 3.984 0.030 1 47 8 8 THR HG2 H 0.946 0.030 1 48 8 8 THR C C 173.322 0.300 1 49 8 8 THR CA C 62.476 0.300 1 50 8 8 THR CB C 69.697 0.300 1 51 8 8 THR CG2 C 21.021 0.300 1 52 8 8 THR N N 117.257 0.300 1 53 9 9 MET H H 10.038 0.030 1 54 9 9 MET HA H 5.262 0.030 1 55 9 9 MET HB2 H 1.957 0.030 2 56 9 9 MET HB3 H 1.819 0.030 2 57 9 9 MET HG2 H 2.511 0.030 2 58 9 9 MET HG3 H 2.404 0.030 2 59 9 9 MET HE H 1.873 0.030 1 60 9 9 MET C C 175.028 0.300 1 61 9 9 MET CA C 54.090 0.300 1 62 9 9 MET CB C 34.854 0.300 1 63 9 9 MET CG C 31.895 0.300 1 64 9 9 MET CE C 17.151 0.300 1 65 9 9 MET N N 128.197 0.300 1 66 10 10 LEU H H 8.831 0.030 1 67 10 10 LEU HA H 4.680 0.030 1 68 10 10 LEU HB2 H 1.230 0.030 1 69 10 10 LEU HB3 H 1.230 0.030 1 70 10 10 LEU HG H 1.404 0.030 1 71 10 10 LEU HD1 H 0.601 0.030 1 72 10 10 LEU HD2 H 0.654 0.030 1 73 10 10 LEU C C 175.817 0.300 1 74 10 10 LEU CA C 53.471 0.300 1 75 10 10 LEU CB C 44.643 0.300 1 76 10 10 LEU CG C 27.265 0.300 1 77 10 10 LEU CD1 C 26.462 0.300 2 78 10 10 LEU CD2 C 24.538 0.300 2 79 10 10 LEU N N 123.310 0.300 1 80 11 11 ARG H H 8.480 0.030 1 81 11 11 ARG HA H 4.535 0.030 1 82 11 11 ARG HB2 H 1.702 0.030 2 83 11 11 ARG HB3 H 1.445 0.030 2 84 11 11 ARG HG2 H 1.452 0.030 2 85 11 11 ARG HG3 H 1.407 0.030 2 86 11 11 ARG HD2 H 3.154 0.030 2 87 11 11 ARG HD3 H 3.025 0.030 2 88 11 11 ARG C C 173.899 0.300 1 89 11 11 ARG CA C 55.439 0.300 1 90 11 11 ARG CB C 32.080 0.300 1 91 11 11 ARG CG C 28.327 0.300 1 92 11 11 ARG CD C 43.893 0.300 1 93 11 11 ARG N N 121.384 0.300 1 94 12 12 VAL H H 8.746 0.030 1 95 12 12 VAL HA H 4.588 0.030 1 96 12 12 VAL HB H 1.636 0.030 1 97 12 12 VAL HG1 H 0.556 0.030 1 98 12 12 VAL HG2 H 0.517 0.030 1 99 12 12 VAL C C 174.698 0.300 1 100 12 12 VAL CA C 60.490 0.300 1 101 12 12 VAL CB C 33.487 0.300 1 102 12 12 VAL CG1 C 22.360 0.300 2 103 12 12 VAL CG2 C 20.827 0.300 2 104 12 12 VAL N N 122.690 0.300 1 105 13 13 ARG H H 8.859 0.030 1 106 13 13 ARG HA H 5.236 0.030 1 107 13 13 ARG HB2 H 1.827 0.030 2 108 13 13 ARG HB3 H 1.567 0.030 2 109 13 13 ARG HG2 H 1.767 0.030 2 110 13 13 ARG HG3 H 1.678 0.030 2 111 13 13 ARG HD2 H 3.316 0.030 2 112 13 13 ARG HD3 H 3.245 0.030 2 113 13 13 ARG C C 173.373 0.300 1 114 13 13 ARG CA C 54.226 0.300 1 115 13 13 ARG CB C 32.761 0.300 1 116 13 13 ARG CG C 28.760 0.300 1 117 13 13 ARG CD C 43.327 0.300 1 118 13 13 ARG N N 130.077 0.300 1 119 14 14 SER H H 8.850 0.030 1 120 14 14 SER HA H 5.485 0.030 1 121 14 14 SER HB2 H 4.176 0.030 2 122 14 14 SER HB3 H 3.821 0.030 2 123 14 14 SER C C 176.990 0.300 1 124 14 14 SER CA C 57.469 0.300 1 125 14 14 SER CB C 69.678 0.300 1 126 14 14 SER N N 122.046 0.300 1 127 15 15 ARG H H 9.841 0.030 1 128 15 15 ARG HA H 4.322 0.030 1 129 15 15 ARG HB2 H 1.978 0.030 2 130 15 15 ARG HB3 H 1.909 0.030 2 131 15 15 ARG HG2 H 1.655 0.030 2 132 15 15 ARG HG3 H 1.618 0.030 2 133 15 15 ARG HD2 H 3.178 0.030 1 134 15 15 ARG HD3 H 3.178 0.030 1 135 15 15 ARG HE H 7.153 0.030 1 136 15 15 ARG C C 176.462 0.300 1 137 15 15 ARG CA C 58.332 0.300 1 138 15 15 ARG CB C 29.484 0.300 1 139 15 15 ARG CG C 26.719 0.300 1 140 15 15 ARG CD C 43.963 0.300 1 141 15 15 ARG N N 120.447 0.300 1 142 15 15 ARG NE N 85.290 0.300 1 143 16 16 ASP H H 8.378 0.030 1 144 16 16 ASP HA H 4.716 0.030 1 145 16 16 ASP HB2 H 2.801 0.030 2 146 16 16 ASP HB3 H 2.292 0.030 2 147 16 16 ASP C C 175.538 0.300 1 148 16 16 ASP CA C 55.274 0.300 1 149 16 16 ASP CB C 41.849 0.300 1 150 16 16 ASP N N 118.372 0.300 1 151 17 17 GLY H H 7.770 0.030 1 152 17 17 GLY HA2 H 4.502 0.030 2 153 17 17 GLY HA3 H 3.738 0.030 2 154 17 17 GLY C C 171.159 0.300 1 155 17 17 GLY CA C 44.677 0.300 1 156 17 17 GLY N N 108.086 0.300 1 157 18 18 LEU H H 8.476 0.030 1 158 18 18 LEU HA H 5.013 0.030 1 159 18 18 LEU HB2 H 1.795 0.030 2 160 18 18 LEU HB3 H 1.358 0.030 2 161 18 18 LEU HG H 1.416 0.030 1 162 18 18 LEU HD1 H 0.837 0.030 1 163 18 18 LEU HD2 H 0.837 0.030 1 164 18 18 LEU C C 175.935 0.300 1 165 18 18 LEU CA C 54.323 0.300 1 166 18 18 LEU CB C 43.825 0.300 1 167 18 18 LEU CG C 27.565 0.300 1 168 18 18 LEU CD1 C 25.426 0.300 2 169 18 18 LEU CD2 C 25.016 0.300 2 170 18 18 LEU N N 124.785 0.300 1 171 19 19 GLU H H 9.228 0.030 1 172 19 19 GLU HA H 4.631 0.030 1 173 19 19 GLU HB2 H 2.085 0.030 2 174 19 19 GLU HB3 H 1.620 0.030 2 175 19 19 GLU HG2 H 2.103 0.030 2 176 19 19 GLU HG3 H 1.981 0.030 2 177 19 19 GLU C C 174.394 0.300 1 178 19 19 GLU CA C 54.726 0.300 1 179 19 19 GLU CB C 34.605 0.300 1 180 19 19 GLU CG C 37.737 0.300 1 181 19 19 GLU N N 127.492 0.300 1 182 20 20 ARG H H 8.536 0.030 1 183 20 20 ARG HA H 5.075 0.030 1 184 20 20 ARG HB2 H 1.695 0.030 2 185 20 20 ARG HB3 H 1.631 0.030 2 186 20 20 ARG HG2 H 1.543 0.030 2 187 20 20 ARG HG3 H 1.466 0.030 2 188 20 20 ARG HD2 H 3.103 0.030 1 189 20 20 ARG HD3 H 3.103 0.030 1 190 20 20 ARG HE H 7.812 0.030 1 191 20 20 ARG C C 175.067 0.300 1 192 20 20 ARG CA C 55.383 0.300 1 193 20 20 ARG CB C 32.779 0.300 1 194 20 20 ARG CG C 27.500 0.300 1 195 20 20 ARG CD C 43.680 0.300 1 196 20 20 ARG N N 120.784 0.300 1 197 21 21 VAL H H 8.641 0.030 1 198 21 21 VAL HA H 4.464 0.030 1 199 21 21 VAL HB H 1.607 0.030 1 200 21 21 VAL HG1 H 0.608 0.030 1 201 21 21 VAL HG2 H 0.608 0.030 1 202 21 21 VAL C C 174.349 0.300 1 203 21 21 VAL CA C 59.763 0.300 1 204 21 21 VAL CB C 35.452 0.300 1 205 21 21 VAL CG1 C 21.238 0.300 2 206 21 21 VAL CG2 C 21.220 0.300 2 207 21 21 VAL N N 119.090 0.300 1 208 22 22 SER H H 9.253 0.030 1 209 22 22 SER HA H 4.906 0.030 1 210 22 22 SER HB2 H 3.803 0.030 2 211 22 22 SER HB3 H 3.719 0.030 2 212 22 22 SER C C 174.794 0.300 1 213 22 22 SER CA C 58.043 0.300 1 214 22 22 SER CB C 63.817 0.300 1 215 22 22 SER N N 122.851 0.300 1 216 23 23 VAL H H 8.563 0.030 1 217 23 23 VAL HA H 4.717 0.030 1 218 23 23 VAL HB H 2.007 0.030 1 219 23 23 VAL HG1 H 0.730 0.030 1 220 23 23 VAL HG2 H 0.517 0.030 1 221 23 23 VAL C C 176.319 0.300 1 222 23 23 VAL CA C 58.931 0.300 1 223 23 23 VAL CB C 35.000 0.300 1 224 23 23 VAL CG1 C 22.171 0.300 2 225 23 23 VAL CG2 C 19.475 0.300 2 226 23 23 VAL N N 117.984 0.300 1 227 24 24 ASP H H 8.383 0.030 1 228 24 24 ASP HA H 4.380 0.030 1 229 24 24 ASP HB2 H 2.720 0.030 2 230 24 24 ASP HB3 H 2.418 0.030 2 231 24 24 ASP C C 176.375 0.300 1 232 24 24 ASP CA C 56.507 0.300 1 233 24 24 ASP CB C 40.656 0.300 1 234 24 24 ASP N N 119.248 0.300 1 235 25 25 GLY H H 7.103 0.030 1 236 25 25 GLY HA2 H 4.360 0.030 2 237 25 25 GLY HA3 H 4.041 0.030 2 238 25 25 GLY C C 170.527 0.300 1 239 25 25 GLY CA C 44.818 0.300 1 240 25 25 GLY N N 102.685 0.300 1 241 26 26 PRO HA H 4.270 0.030 1 242 26 26 PRO HB2 H 2.192 0.030 2 243 26 26 PRO HB3 H 1.831 0.030 2 244 26 26 PRO HG2 H 1.914 0.030 2 245 26 26 PRO HG3 H 1.760 0.030 2 246 26 26 PRO HD2 H 3.708 0.030 2 247 26 26 PRO HD3 H 3.567 0.030 2 248 26 26 PRO C C 174.308 0.300 1 249 26 26 PRO CA C 63.413 0.300 1 250 26 26 PRO CB C 32.022 0.300 1 251 26 26 PRO CG C 26.835 0.300 1 252 26 26 PRO CD C 49.501 0.300 1 253 27 27 HIS H H 8.031 0.030 1 254 27 27 HIS HA H 4.803 0.030 1 255 27 27 HIS HB2 H 3.122 0.030 2 256 27 27 HIS HB3 H 3.072 0.030 2 257 27 27 HIS HD2 H 7.018 0.030 1 258 27 27 HIS HE1 H 7.666 0.030 1 259 27 27 HIS C C 175.466 0.300 1 260 27 27 HIS CA C 55.545 0.300 1 261 27 27 HIS CB C 30.518 0.300 1 262 27 27 HIS CD2 C 118.517 0.300 1 263 27 27 HIS CE1 C 138.477 0.300 1 264 27 27 HIS N N 113.989 0.300 1 265 28 28 ILE H H 6.638 0.030 1 266 28 28 ILE HA H 4.331 0.030 1 267 28 28 ILE HB H 2.002 0.030 1 268 28 28 ILE HG12 H 1.330 0.030 2 269 28 28 ILE HG13 H 1.275 0.030 2 270 28 28 ILE HG2 H 0.837 0.030 1 271 28 28 ILE HD1 H 0.772 0.030 1 272 28 28 ILE C C 175.194 0.300 1 273 28 28 ILE CA C 61.410 0.300 1 274 28 28 ILE CB C 39.203 0.300 1 275 28 28 ILE CG1 C 25.054 0.300 1 276 28 28 ILE CG2 C 17.814 0.300 1 277 28 28 ILE CD1 C 15.700 0.300 1 278 28 28 ILE N N 113.579 0.300 1 279 29 29 THR H H 8.418 0.030 1 280 29 29 THR HA H 5.294 0.030 1 281 29 29 THR HB H 4.826 0.030 1 282 29 29 THR HG2 H 1.219 0.030 1 283 29 29 THR C C 176.938 0.300 1 284 29 29 THR CA C 59.867 0.300 1 285 29 29 THR CB C 72.094 0.300 1 286 29 29 THR CG2 C 22.100 0.300 1 287 29 29 THR N N 110.653 0.300 1 288 30 30 VAL H H 8.489 0.030 1 289 30 30 VAL HA H 3.318 0.030 1 290 30 30 VAL HB H 2.319 0.030 1 291 30 30 VAL HG1 H 0.998 0.030 1 292 30 30 VAL HG2 H 0.901 0.030 1 293 30 30 VAL C C 177.886 0.300 1 294 30 30 VAL CA C 67.679 0.300 1 295 30 30 VAL CB C 31.806 0.300 1 296 30 30 VAL CG1 C 24.577 0.300 2 297 30 30 VAL CG2 C 21.393 0.300 2 298 30 30 VAL N N 120.872 0.300 1 299 31 31 SER H H 9.043 0.030 1 300 31 31 SER HA H 4.048 0.030 1 301 31 31 SER HB2 H 3.996 0.030 2 302 31 31 SER HB3 H 3.931 0.030 2 303 31 31 SER C C 178.041 0.300 1 304 31 31 SER CA C 61.787 0.300 1 305 31 31 SER CB C 62.499 0.300 1 306 31 31 SER N N 113.260 0.300 1 307 32 32 GLN H H 7.739 0.030 1 308 32 32 GLN HA H 4.090 0.030 1 309 32 32 GLN HB2 H 2.521 0.030 2 310 32 32 GLN HB3 H 2.028 0.030 2 311 32 32 GLN HG2 H 2.456 0.030 1 312 32 32 GLN HG3 H 2.456 0.030 1 313 32 32 GLN HE21 H 7.590 0.030 2 314 32 32 GLN HE22 H 6.779 0.030 2 315 32 32 GLN C C 178.796 0.300 1 316 32 32 GLN CA C 59.144 0.300 1 317 32 32 GLN CB C 28.775 0.300 1 318 32 32 GLN CG C 35.109 0.300 1 319 32 32 GLN N N 122.635 0.300 1 320 32 32 GLN NE2 N 111.146 0.300 1 321 33 33 LEU H H 8.767 0.030 1 322 33 33 LEU HA H 4.038 0.030 1 323 33 33 LEU HB2 H 2.222 0.030 2 324 33 33 LEU HB3 H 1.216 0.030 2 325 33 33 LEU HG H 1.476 0.030 1 326 33 33 LEU HD1 H 0.767 0.030 1 327 33 33 LEU HD2 H 0.669 0.030 1 328 33 33 LEU C C 177.784 0.300 1 329 33 33 LEU CA C 58.075 0.300 1 330 33 33 LEU CB C 40.871 0.300 1 331 33 33 LEU CG C 27.003 0.300 1 332 33 33 LEU CD1 C 23.401 0.300 2 333 33 33 LEU CD2 C 27.018 0.300 2 334 33 33 LEU N N 122.843 0.300 1 335 34 34 LYS H H 8.717 0.030 1 336 34 34 LYS HA H 4.573 0.030 1 337 34 34 LYS HB2 H 1.926 0.030 2 338 34 34 LYS HB3 H 1.604 0.030 2 339 34 34 LYS HG2 H 1.620 0.030 2 340 34 34 LYS HG3 H 1.532 0.030 2 341 34 34 LYS HD2 H 1.598 0.030 2 342 34 34 LYS HD3 H 1.551 0.030 2 343 34 34 LYS HE2 H 2.641 0.030 1 344 34 34 LYS HE3 H 2.641 0.030 1 345 34 34 LYS C C 180.176 0.300 1 346 34 34 LYS CA C 59.997 0.300 1 347 34 34 LYS CB C 33.302 0.300 1 348 34 34 LYS CG C 26.825 0.300 1 349 34 34 LYS CD C 30.296 0.300 1 350 34 34 LYS CE C 42.973 0.300 1 351 34 34 LYS N N 118.208 0.300 1 352 35 35 THR H H 7.963 0.030 1 353 35 35 THR HA H 3.721 0.030 1 354 35 35 THR HB H 4.400 0.030 1 355 35 35 THR HG2 H 1.254 0.030 1 356 35 35 THR C C 175.661 0.300 1 357 35 35 THR CA C 67.601 0.300 1 358 35 35 THR CB C 68.578 0.300 1 359 35 35 THR CG2 C 21.817 0.300 1 360 35 35 THR N N 118.149 0.300 1 361 36 36 LEU H H 7.972 0.030 1 362 36 36 LEU HA H 4.200 0.030 1 363 36 36 LEU HB2 H 2.040 0.030 2 364 36 36 LEU HB3 H 1.389 0.030 2 365 36 36 LEU HG H 1.916 0.030 1 366 36 36 LEU HD1 H 1.034 0.030 1 367 36 36 LEU HD2 H 0.977 0.030 1 368 36 36 LEU C C 179.374 0.300 1 369 36 36 LEU CA C 58.396 0.300 1 370 36 36 LEU CB C 41.370 0.300 1 371 36 36 LEU CG C 26.854 0.300 1 372 36 36 LEU CD1 C 26.728 0.300 2 373 36 36 LEU CD2 C 23.091 0.300 2 374 36 36 LEU N N 123.570 0.300 1 375 37 37 ILE H H 8.577 0.030 1 376 37 37 ILE HA H 3.377 0.030 1 377 37 37 ILE HB H 2.107 0.030 1 378 37 37 ILE HG12 H 1.804 0.030 2 379 37 37 ILE HG13 H 0.647 0.030 2 380 37 37 ILE HG2 H 0.669 0.030 1 381 37 37 ILE HD1 H 0.668 0.030 1 382 37 37 ILE C C 178.258 0.300 1 383 37 37 ILE CA C 66.338 0.300 1 384 37 37 ILE CB C 37.203 0.300 1 385 37 37 ILE CG1 C 31.337 0.300 1 386 37 37 ILE CG2 C 17.215 0.300 1 387 37 37 ILE CD1 C 14.625 0.300 1 388 37 37 ILE N N 120.651 0.300 1 389 38 38 GLN H H 8.430 0.030 1 390 38 38 GLN HA H 4.038 0.030 1 391 38 38 GLN HB2 H 2.336 0.030 2 392 38 38 GLN HB3 H 2.099 0.030 2 393 38 38 GLN HG2 H 2.190 0.030 2 394 38 38 GLN HG3 H 1.991 0.030 2 395 38 38 GLN HE21 H 7.945 0.030 2 396 38 38 GLN HE22 H 6.963 0.030 2 397 38 38 GLN C C 178.632 0.300 1 398 38 38 GLN CA C 59.858 0.300 1 399 38 38 GLN CB C 29.676 0.300 1 400 38 38 GLN CG C 34.978 0.300 1 401 38 38 GLN N N 123.015 0.300 1 402 38 38 GLN NE2 N 113.358 0.300 1 403 39 39 ASP H H 8.242 0.030 1 404 39 39 ASP HA H 4.375 0.030 1 405 39 39 ASP HB2 H 2.859 0.030 2 406 39 39 ASP HB3 H 2.745 0.030 2 407 39 39 ASP C C 177.921 0.300 1 408 39 39 ASP CA C 57.442 0.300 1 409 39 39 ASP CB C 41.504 0.300 1 410 39 39 ASP N N 118.998 0.300 1 411 40 40 GLN H H 8.566 0.030 1 412 40 40 GLN HA H 4.271 0.030 1 413 40 40 GLN HB2 H 2.207 0.030 2 414 40 40 GLN HB3 H 1.867 0.030 2 415 40 40 GLN HG2 H 2.604 0.030 2 416 40 40 GLN HG3 H 2.412 0.030 2 417 40 40 GLN HE21 H 7.740 0.030 2 418 40 40 GLN HE22 H 7.605 0.030 2 419 40 40 GLN C C 177.306 0.300 1 420 40 40 GLN CA C 58.367 0.300 1 421 40 40 GLN CB C 29.983 0.300 1 422 40 40 GLN CG C 35.021 0.300 1 423 40 40 GLN N N 115.064 0.300 1 424 40 40 GLN NE2 N 113.701 0.300 1 425 41 41 LEU H H 8.725 0.030 1 426 41 41 LEU HA H 4.473 0.030 1 427 41 41 LEU HB2 H 1.696 0.030 2 428 41 41 LEU HB3 H 1.409 0.030 2 429 41 41 LEU HG H 1.406 0.030 1 430 41 41 LEU HD1 H 0.597 0.030 1 431 41 41 LEU HD2 H 0.690 0.030 1 432 41 41 LEU C C 176.340 0.300 1 433 41 41 LEU CA C 54.636 0.300 1 434 41 41 LEU CB C 40.928 0.300 1 435 41 41 LEU CG C 27.831 0.300 1 436 41 41 LEU CD1 C 24.789 0.300 2 437 41 41 LEU CD2 C 22.454 0.300 2 438 41 41 LEU N N 117.174 0.300 1 439 42 42 GLN H H 7.304 0.030 1 440 42 42 GLN HA H 4.055 0.030 1 441 42 42 GLN HB2 H 2.388 0.030 2 442 42 42 GLN HB3 H 2.355 0.030 2 443 42 42 GLN HG2 H 2.101 0.030 1 444 42 42 GLN HG3 H 2.101 0.030 1 445 42 42 GLN HE21 H 7.244 0.030 2 446 42 42 GLN HE22 H 6.548 0.030 2 447 42 42 GLN C C 174.150 0.300 1 448 42 42 GLN CA C 57.239 0.300 1 449 42 42 GLN CB C 24.657 0.300 1 450 42 42 GLN CG C 34.624 0.300 1 451 42 42 GLN N N 110.677 0.300 1 452 42 42 GLN NE2 N 112.506 0.300 1 453 43 43 ILE H H 6.181 0.030 1 454 43 43 ILE HA H 4.415 0.030 1 455 43 43 ILE HB H 1.063 0.030 1 456 43 43 ILE HG12 H 1.060 0.030 2 457 43 43 ILE HG13 H 0.009 0.030 2 458 43 43 ILE HG2 H 0.551 0.030 1 459 43 43 ILE HD1 H 0.014 0.030 1 460 43 43 ILE C C 173.572 0.300 1 461 43 43 ILE CA C 57.707 0.300 1 462 43 43 ILE CB C 40.935 0.300 1 463 43 43 ILE CG1 C 27.357 0.300 1 464 43 43 ILE CG2 C 18.265 0.300 1 465 43 43 ILE CD1 C 14.696 0.300 1 466 43 43 ILE N N 116.535 0.300 1 467 44 44 PRO HA H 4.551 0.030 1 468 44 44 PRO HB2 H 2.348 0.030 2 469 44 44 PRO HB3 H 1.569 0.030 2 470 44 44 PRO HG2 H 2.051 0.030 2 471 44 44 PRO HG3 H 1.939 0.030 2 472 44 44 PRO HD2 H 3.984 0.030 2 473 44 44 PRO HD3 H 3.799 0.030 2 474 44 44 PRO C C 178.932 0.300 1 475 44 44 PRO CA C 63.072 0.300 1 476 44 44 PRO CB C 32.840 0.300 1 477 44 44 PRO CG C 27.690 0.300 1 478 44 44 PRO CD C 50.946 0.300 1 479 45 45 ILE H H 8.461 0.030 1 480 45 45 ILE HA H 3.748 0.030 1 481 45 45 ILE HB H 1.607 0.030 1 482 45 45 ILE HG12 H 1.483 0.030 2 483 45 45 ILE HG13 H 0.834 0.030 2 484 45 45 ILE HG2 H 0.817 0.030 1 485 45 45 ILE HD1 H 0.894 0.030 1 486 45 45 ILE C C 178.751 0.300 1 487 45 45 ILE CA C 66.058 0.300 1 488 45 45 ILE CB C 39.531 0.300 1 489 45 45 ILE CG1 C 28.674 0.300 1 490 45 45 ILE CG2 C 17.289 0.300 1 491 45 45 ILE CD1 C 14.947 0.300 1 492 45 45 ILE N N 122.711 0.300 1 493 46 46 HIS H H 8.399 0.030 1 494 46 46 HIS HA H 4.409 0.030 1 495 46 46 HIS HB2 H 3.264 0.030 2 496 46 46 HIS HB3 H 3.137 0.030 2 497 46 46 HIS HD2 H 7.160 0.030 1 498 46 46 HIS HE1 H 8.180 0.030 1 499 46 46 HIS C C 174.630 0.300 1 500 46 46 HIS CA C 57.881 0.300 1 501 46 46 HIS CB C 28.745 0.300 1 502 46 46 HIS CD2 C 119.904 0.300 1 503 46 46 HIS CE1 C 137.876 0.300 1 504 46 46 HIS N N 114.706 0.300 1 505 47 47 ASN H H 7.761 0.030 1 506 47 47 ASN HA H 4.963 0.030 1 507 47 47 ASN HB2 H 3.389 0.030 2 508 47 47 ASN HB3 H 2.642 0.030 2 509 47 47 ASN HD21 H 7.709 0.030 2 510 47 47 ASN HD22 H 6.969 0.030 2 511 47 47 ASN C C 176.060 0.300 1 512 47 47 ASN CA C 52.550 0.300 1 513 47 47 ASN CB C 39.231 0.300 1 514 47 47 ASN N N 116.270 0.300 1 515 47 47 ASN ND2 N 110.284 0.300 1 516 48 48 GLN H H 7.310 0.030 1 517 48 48 GLN HA H 4.302 0.030 1 518 48 48 GLN HB2 H 1.898 0.030 2 519 48 48 GLN HB3 H 1.872 0.030 2 520 48 48 GLN HG2 H 2.448 0.030 2 521 48 48 GLN HG3 H 1.553 0.030 2 522 48 48 GLN HE21 H 6.629 0.030 2 523 48 48 GLN HE22 H 6.436 0.030 2 524 48 48 GLN C C 176.656 0.300 1 525 48 48 GLN CA C 57.220 0.300 1 526 48 48 GLN CB C 32.353 0.300 1 527 48 48 GLN CG C 33.492 0.300 1 528 48 48 GLN N N 120.115 0.300 1 529 48 48 GLN NE2 N 105.197 0.300 1 530 49 49 THR H H 8.921 0.030 1 531 49 49 THR HA H 4.234 0.030 1 532 49 49 THR HB H 3.594 0.030 1 533 49 49 THR HG2 H 1.220 0.030 1 534 49 49 THR C C 171.736 0.300 1 535 49 49 THR CA C 64.246 0.300 1 536 49 49 THR CB C 70.531 0.300 1 537 49 49 THR CG2 C 21.189 0.300 1 538 49 49 THR N N 120.114 0.300 1 539 50 50 LEU H H 8.292 0.030 1 540 50 50 LEU HA H 5.581 0.030 1 541 50 50 LEU HB2 H 1.444 0.030 1 542 50 50 LEU HB3 H 1.444 0.030 1 543 50 50 LEU HG H 1.452 0.030 1 544 50 50 LEU HD1 H 0.785 0.030 1 545 50 50 LEU HD2 H 0.764 0.030 1 546 50 50 LEU C C 175.209 0.300 1 547 50 50 LEU CA C 52.121 0.300 1 548 50 50 LEU CB C 46.516 0.300 1 549 50 50 LEU CG C 27.339 0.300 1 550 50 50 LEU CD1 C 27.398 0.300 2 551 50 50 LEU CD2 C 24.159 0.300 2 552 50 50 LEU N N 125.741 0.300 1 553 51 51 SER H H 8.774 0.030 1 554 51 51 SER HA H 4.603 0.030 1 555 51 51 SER HB2 H 4.044 0.030 2 556 51 51 SER HB3 H 3.322 0.030 2 557 51 51 SER C C 173.993 0.300 1 558 51 51 SER CA C 58.164 0.300 1 559 51 51 SER CB C 65.882 0.300 1 560 51 51 SER N N 112.012 0.300 1 561 52 52 THR H H 10.371 0.030 1 562 52 52 THR HA H 4.683 0.030 1 563 52 52 THR HB H 4.684 0.030 1 564 52 52 THR HG2 H 1.551 0.030 1 565 52 52 THR C C 174.327 0.300 1 566 52 52 THR CA C 63.118 0.300 1 567 52 52 THR CB C 70.487 0.300 1 568 52 52 THR CG2 C 23.943 0.300 1 569 52 52 THR N N 117.544 0.300 1 570 53 53 ASN H H 9.641 0.030 1 571 53 53 ASN HA H 4.645 0.030 1 572 53 53 ASN HB2 H 3.467 0.030 2 573 53 53 ASN HB3 H 2.739 0.030 2 574 53 53 ASN HD21 H 7.732 0.030 2 575 53 53 ASN HD22 H 7.275 0.030 2 576 53 53 ASN C C 174.865 0.300 1 577 53 53 ASN CA C 52.525 0.300 1 578 53 53 ASN CB C 39.905 0.300 1 579 53 53 ASN N N 124.702 0.300 1 580 53 53 ASN ND2 N 112.973 0.300 1 581 54 54 ARG H H 8.442 0.030 1 582 54 54 ARG HA H 1.880 0.030 1 583 54 54 ARG HB2 H 1.383 0.030 1 584 54 54 ARG HB3 H 1.383 0.030 1 585 54 54 ARG HG2 H 1.500 0.030 2 586 54 54 ARG HG3 H 1.149 0.030 2 587 54 54 ARG HD2 H 3.079 0.030 1 588 54 54 ARG HD3 H 3.079 0.030 1 589 54 54 ARG C C 177.399 0.300 1 590 54 54 ARG CA C 57.020 0.300 1 591 54 54 ARG CB C 29.710 0.300 1 592 54 54 ARG CG C 25.947 0.300 1 593 54 54 ARG CD C 43.656 0.300 1 594 54 54 ARG N N 126.896 0.300 1 595 55 55 ASN H H 8.665 0.030 1 596 55 55 ASN HA H 4.258 0.030 1 597 55 55 ASN HB2 H 2.882 0.030 2 598 55 55 ASN HB3 H 2.773 0.030 2 599 55 55 ASN HD21 H 7.727 0.030 2 600 55 55 ASN HD22 H 6.945 0.030 2 601 55 55 ASN C C 177.141 0.300 1 602 55 55 ASN CA C 55.134 0.300 1 603 55 55 ASN CB C 36.701 0.300 1 604 55 55 ASN N N 119.139 0.300 1 605 55 55 ASN ND2 N 112.760 0.300 1 606 56 56 LEU H H 7.824 0.030 1 607 56 56 LEU HA H 2.971 0.030 1 608 56 56 LEU HB2 H 1.086 0.030 2 609 56 56 LEU HB3 H 0.695 0.030 2 610 56 56 LEU HG H 1.091 0.030 1 611 56 56 LEU HD1 H 0.458 0.030 1 612 56 56 LEU HD2 H 0.378 0.030 1 613 56 56 LEU C C 178.129 0.300 1 614 56 56 LEU CA C 57.624 0.300 1 615 56 56 LEU CB C 41.300 0.300 1 616 56 56 LEU CG C 26.581 0.300 1 617 56 56 LEU CD1 C 26.589 0.300 2 618 56 56 LEU CD2 C 23.513 0.300 2 619 56 56 LEU N N 126.152 0.300 1 620 57 57 LEU H H 7.159 0.030 1 621 57 57 LEU HA H 4.015 0.030 1 622 57 57 LEU HB2 H 1.630 0.030 2 623 57 57 LEU HB3 H 1.544 0.030 2 624 57 57 LEU HG H 1.560 0.030 1 625 57 57 LEU HD1 H 0.886 0.030 1 626 57 57 LEU HD2 H 0.825 0.030 1 627 57 57 LEU C C 177.264 0.300 1 628 57 57 LEU CA C 56.078 0.300 1 629 57 57 LEU CB C 40.741 0.300 1 630 57 57 LEU CG C 26.779 0.300 1 631 57 57 LEU CD1 C 25.639 0.300 2 632 57 57 LEU CD2 C 21.897 0.300 2 633 57 57 LEU N N 113.033 0.300 1 634 58 58 LEU H H 7.314 0.030 1 635 58 58 LEU HA H 4.300 0.030 1 636 58 58 LEU HB2 H 1.750 0.030 2 637 58 58 LEU HB3 H 1.669 0.030 2 638 58 58 LEU HG H 1.505 0.030 1 639 58 58 LEU HD1 H 0.874 0.030 1 640 58 58 LEU HD2 H 0.783 0.030 1 641 58 58 LEU C C 177.135 0.300 1 642 58 58 LEU CA C 54.239 0.300 1 643 58 58 LEU CB C 41.804 0.300 1 644 58 58 LEU CG C 27.548 0.300 1 645 58 58 LEU CD1 C 25.284 0.300 2 646 58 58 LEU CD2 C 22.516 0.300 2 647 58 58 LEU N N 116.946 0.300 1 648 59 59 ALA H H 7.125 0.030 1 649 59 59 ALA HA H 4.242 0.030 1 650 59 59 ALA HB H 1.401 0.030 1 651 59 59 ALA C C 177.564 0.300 1 652 59 59 ALA CA C 52.884 0.300 1 653 59 59 ALA CB C 20.048 0.300 1 654 59 59 ALA N N 123.009 0.300 1 655 60 60 LYS H H 9.143 0.030 1 656 60 60 LYS HA H 4.500 0.030 1 657 60 60 LYS HB2 H 1.900 0.030 2 658 60 60 LYS HB3 H 1.812 0.030 2 659 60 60 LYS HG2 H 1.536 0.030 2 660 60 60 LYS HG3 H 1.434 0.030 2 661 60 60 LYS HD2 H 1.695 0.030 1 662 60 60 LYS HD3 H 1.695 0.030 1 663 60 60 LYS HE2 H 3.025 0.030 1 664 60 60 LYS HE3 H 3.025 0.030 1 665 60 60 LYS C C 175.996 0.300 1 666 60 60 LYS CA C 57.220 0.300 1 667 60 60 LYS CB C 34.948 0.300 1 668 60 60 LYS CG C 24.729 0.300 1 669 60 60 LYS CD C 28.893 0.300 1 670 60 60 LYS CE C 42.195 0.300 1 671 60 60 LYS N N 121.845 0.300 1 672 61 61 SER H H 8.072 0.030 1 673 61 61 SER HA H 4.886 0.030 1 674 61 61 SER HB2 H 3.972 0.030 2 675 61 61 SER HB3 H 3.767 0.030 2 676 61 61 SER C C 172.354 0.300 1 677 61 61 SER CA C 55.802 0.300 1 678 61 61 SER CB C 64.373 0.300 1 679 61 61 SER N N 116.109 0.300 1 680 62 62 PRO HA H 3.229 0.030 1 681 62 62 PRO HB2 H 2.165 0.030 2 682 62 62 PRO HB3 H 1.790 0.030 2 683 62 62 PRO HG2 H 2.107 0.030 2 684 62 62 PRO HG3 H 1.810 0.030 2 685 62 62 PRO HD2 H 3.787 0.030 2 686 62 62 PRO HD3 H 3.717 0.030 2 687 62 62 PRO C C 179.263 0.300 1 688 62 62 PRO CA C 64.951 0.300 1 689 62 62 PRO CB C 31.681 0.300 1 690 62 62 PRO CG C 28.138 0.300 1 691 62 62 PRO CD C 50.460 0.300 1 692 63 63 SER H H 7.959 0.030 1 693 63 63 SER HA H 4.085 0.030 1 694 63 63 SER HB2 H 3.801 0.030 1 695 63 63 SER HB3 H 3.801 0.030 1 696 63 63 SER C C 176.856 0.300 1 697 63 63 SER CA C 61.396 0.300 1 698 63 63 SER CB C 62.146 0.300 1 699 63 63 SER N N 112.046 0.300 1 700 64 64 ASP H H 7.845 0.030 1 701 64 64 ASP HA H 4.471 0.030 1 702 64 64 ASP HB2 H 3.022 0.030 2 703 64 64 ASP HB3 H 2.908 0.030 2 704 64 64 ASP C C 179.023 0.300 1 705 64 64 ASP CA C 56.571 0.300 1 706 64 64 ASP CB C 41.745 0.300 1 707 64 64 ASP N N 122.084 0.300 1 708 65 65 PHE H H 7.625 0.030 1 709 65 65 PHE HA H 4.485 0.030 1 710 65 65 PHE HB2 H 3.540 0.030 2 711 65 65 PHE HB3 H 3.254 0.030 2 712 65 65 PHE HD1 H 7.070 0.030 1 713 65 65 PHE HD2 H 7.070 0.030 1 714 65 65 PHE HE1 H 6.944 0.030 1 715 65 65 PHE HE2 H 6.944 0.030 1 716 65 65 PHE HZ H 6.983 0.030 1 717 65 65 PHE C C 177.757 0.300 1 718 65 65 PHE CA C 58.352 0.300 1 719 65 65 PHE CB C 37.528 0.300 1 720 65 65 PHE CD1 C 130.554 0.300 1 721 65 65 PHE CD2 C 130.554 0.300 1 722 65 65 PHE CE1 C 130.830 0.300 1 723 65 65 PHE CE2 C 130.830 0.300 1 724 65 65 PHE CZ C 129.392 0.300 1 725 65 65 PHE N N 117.452 0.300 1 726 66 66 LEU H H 7.183 0.030 1 727 66 66 LEU HA H 4.181 0.030 1 728 66 66 LEU HB2 H 1.807 0.030 2 729 66 66 LEU HB3 H 1.588 0.030 2 730 66 66 LEU HG H 1.838 0.030 1 731 66 66 LEU HD1 H 0.954 0.030 1 732 66 66 LEU HD2 H 0.919 0.030 1 733 66 66 LEU C C 177.213 0.300 1 734 66 66 LEU CA C 56.344 0.300 1 735 66 66 LEU CB C 41.692 0.300 1 736 66 66 LEU CG C 26.912 0.300 1 737 66 66 LEU CD1 C 25.182 0.300 2 738 66 66 LEU CD2 C 22.757 0.300 2 739 66 66 LEU N N 115.089 0.300 1 740 67 67 ALA H H 7.078 0.030 1 741 67 67 ALA HA H 4.093 0.030 1 742 67 67 ALA HB H 1.045 0.030 1 743 67 67 ALA C C 177.305 0.300 1 744 67 67 ALA CA C 52.801 0.300 1 745 67 67 ALA CB C 18.730 0.300 1 746 67 67 ALA N N 117.822 0.300 1 747 68 68 PHE H H 7.701 0.030 1 748 68 68 PHE HA H 4.752 0.030 1 749 68 68 PHE HB2 H 3.255 0.030 2 750 68 68 PHE HB3 H 3.020 0.030 2 751 68 68 PHE HD1 H 7.474 0.030 1 752 68 68 PHE HD2 H 7.474 0.030 1 753 68 68 PHE HE1 H 7.101 0.030 1 754 68 68 PHE HE2 H 7.101 0.030 1 755 68 68 PHE HZ H 6.909 0.030 1 756 68 68 PHE C C 176.389 0.300 1 757 68 68 PHE CA C 57.287 0.300 1 758 68 68 PHE CB C 37.863 0.300 1 759 68 68 PHE CD1 C 132.900 0.300 1 760 68 68 PHE CD2 C 132.900 0.300 1 761 68 68 PHE CE1 C 130.600 0.300 1 762 68 68 PHE CE2 C 130.600 0.300 1 763 68 68 PHE CZ C 128.962 0.300 1 764 68 68 PHE N N 118.510 0.300 1 765 69 69 THR H H 8.635 0.030 1 766 69 69 THR HA H 4.523 0.030 1 767 69 69 THR HB H 4.665 0.030 1 768 69 69 THR HG2 H 1.148 0.030 1 769 69 69 THR C C 175.084 0.300 1 770 69 69 THR CA C 61.065 0.300 1 771 69 69 THR CB C 69.414 0.300 1 772 69 69 THR CG2 C 21.429 0.300 1 773 69 69 THR N N 114.207 0.300 1 774 70 70 ASP H H 9.482 0.030 1 775 70 70 ASP HA H 4.430 0.030 1 776 70 70 ASP HB2 H 2.841 0.030 2 777 70 70 ASP HB3 H 2.702 0.030 2 778 70 70 ASP C C 176.776 0.300 1 779 70 70 ASP CA C 56.055 0.300 1 780 70 70 ASP CB C 40.030 0.300 1 781 70 70 ASP N N 121.498 0.300 1 782 71 71 MET H H 8.812 0.030 1 783 71 71 MET HA H 4.518 0.030 1 784 71 71 MET HB2 H 2.303 0.030 2 785 71 71 MET HB3 H 1.643 0.030 2 786 71 71 MET HG2 H 2.606 0.030 2 787 71 71 MET HG3 H 2.155 0.030 2 788 71 71 MET HE H 1.743 0.030 1 789 71 71 MET C C 174.314 0.300 1 790 71 71 MET CA C 54.635 0.300 1 791 71 71 MET CB C 32.027 0.300 1 792 71 71 MET CG C 33.010 0.300 1 793 71 71 MET CE C 17.432 0.300 1 794 71 71 MET N N 118.701 0.300 1 795 72 72 ALA H H 7.081 0.030 1 796 72 72 ALA HA H 4.329 0.030 1 797 72 72 ALA HB H 1.485 0.030 1 798 72 72 ALA C C 178.517 0.300 1 799 72 72 ALA CA C 53.277 0.300 1 800 72 72 ALA CB C 20.006 0.300 1 801 72 72 ALA N N 120.219 0.300 1 802 73 73 ASP H H 8.051 0.030 1 803 73 73 ASP HA H 4.839 0.030 1 804 73 73 ASP HB2 H 3.002 0.030 2 805 73 73 ASP HB3 H 2.660 0.030 2 806 73 73 ASP C C 175.056 0.300 1 807 73 73 ASP CA C 51.083 0.300 1 808 73 73 ASP CB C 41.564 0.300 1 809 73 73 ASP N N 121.596 0.300 1 810 74 74 PRO HA H 4.140 0.030 1 811 74 74 PRO HB2 H 2.381 0.030 2 812 74 74 PRO HB3 H 1.984 0.030 2 813 74 74 PRO HG2 H 2.060 0.030 2 814 74 74 PRO HG3 H 1.977 0.030 2 815 74 74 PRO HD2 H 4.095 0.030 1 816 74 74 PRO HD3 H 4.095 0.030 1 817 74 74 PRO C C 177.598 0.300 1 818 74 74 PRO CA C 63.847 0.300 1 819 74 74 PRO CB C 33.090 0.300 1 820 74 74 PRO CG C 26.988 0.300 1 821 74 74 PRO CD C 51.063 0.300 1 822 75 75 ASN H H 8.298 0.030 1 823 75 75 ASN HA H 4.792 0.030 1 824 75 75 ASN HB2 H 2.931 0.030 2 825 75 75 ASN HB3 H 2.761 0.030 2 826 75 75 ASN HD21 H 8.013 0.030 2 827 75 75 ASN HD22 H 7.091 0.030 2 828 75 75 ASN C C 174.907 0.300 1 829 75 75 ASN CA C 52.880 0.300 1 830 75 75 ASN CB C 39.578 0.300 1 831 75 75 ASN N N 112.986 0.300 1 832 75 75 ASN ND2 N 115.938 0.300 1 833 76 76 LEU H H 7.324 0.030 1 834 76 76 LEU HA H 4.111 0.030 1 835 76 76 LEU HB2 H 1.832 0.030 2 836 76 76 LEU HB3 H 1.604 0.030 2 837 76 76 LEU HG H 1.621 0.030 1 838 76 76 LEU HD1 H 0.971 0.030 1 839 76 76 LEU HD2 H 1.091 0.030 1 840 76 76 LEU C C 176.517 0.300 1 841 76 76 LEU CA C 55.698 0.300 1 842 76 76 LEU CB C 43.247 0.300 1 843 76 76 LEU CG C 26.498 0.300 1 844 76 76 LEU CD1 C 26.450 0.300 2 845 76 76 LEU CD2 C 25.042 0.300 2 846 76 76 LEU N N 123.808 0.300 1 847 77 77 ARG H H 8.706 0.030 1 848 77 77 ARG HA H 4.605 0.030 1 849 77 77 ARG HB2 H 1.821 0.030 1 850 77 77 ARG HB3 H 1.821 0.030 1 851 77 77 ARG HG2 H 1.830 0.030 2 852 77 77 ARG HG3 H 1.681 0.030 2 853 77 77 ARG HD2 H 3.262 0.030 2 854 77 77 ARG HD3 H 3.179 0.030 2 855 77 77 ARG C C 179.731 0.300 1 856 77 77 ARG CA C 56.001 0.300 1 857 77 77 ARG CB C 30.922 0.300 1 858 77 77 ARG CG C 28.341 0.300 1 859 77 77 ARG CD C 43.822 0.300 1 860 77 77 ARG N N 125.075 0.300 1 861 78 78 ILE H H 9.158 0.030 1 862 78 78 ILE HA H 3.898 0.030 1 863 78 78 ILE HB H 2.116 0.030 1 864 78 78 ILE HG12 H 1.438 0.030 1 865 78 78 ILE HG13 H 1.438 0.030 1 866 78 78 ILE HG2 H 0.782 0.030 1 867 78 78 ILE HD1 H 0.653 0.030 1 868 78 78 ILE C C 178.030 0.300 1 869 78 78 ILE CA C 65.901 0.300 1 870 78 78 ILE CB C 36.828 0.300 1 871 78 78 ILE CG1 C 25.920 0.300 1 872 78 78 ILE CG2 C 17.452 0.300 1 873 78 78 ILE CD1 C 14.094 0.300 1 874 78 78 ILE N N 120.117 0.300 1 875 79 79 SER H H 8.225 0.030 1 876 79 79 SER HA H 4.370 0.030 1 877 79 79 SER HB2 H 4.017 0.030 2 878 79 79 SER HB3 H 3.978 0.030 2 879 79 79 SER C C 178.502 0.300 1 880 79 79 SER CA C 60.077 0.300 1 881 79 79 SER CB C 61.749 0.300 1 882 79 79 SER N N 116.684 0.300 1 883 80 80 SER H H 8.151 0.030 1 884 80 80 SER HA H 4.465 0.030 1 885 80 80 SER HB2 H 4.171 0.030 2 886 80 80 SER HB3 H 4.099 0.030 2 887 80 80 SER C C 174.478 0.300 1 888 80 80 SER CA C 61.219 0.300 1 889 80 80 SER CB C 63.189 0.300 1 890 80 80 SER N N 120.744 0.300 1 891 81 81 LEU H H 7.400 0.030 1 892 81 81 LEU HA H 4.537 0.030 1 893 81 81 LEU HB2 H 1.793 0.030 1 894 81 81 LEU HB3 H 1.793 0.030 1 895 81 81 LEU HG H 1.612 0.030 1 896 81 81 LEU HD1 H 0.960 0.030 1 897 81 81 LEU HD2 H 0.991 0.030 1 898 81 81 LEU C C 175.846 0.300 1 899 81 81 LEU CA C 54.026 0.300 1 900 81 81 LEU CB C 42.484 0.300 1 901 81 81 LEU CG C 26.899 0.300 1 902 81 81 LEU CD1 C 26.441 0.300 2 903 81 81 LEU CD2 C 22.800 0.300 2 904 81 81 LEU N N 120.805 0.300 1 905 82 82 ASN H H 8.035 0.030 1 906 82 82 ASN HA H 4.404 0.030 1 907 82 82 ASN HB2 H 3.080 0.030 2 908 82 82 ASN HB3 H 2.900 0.030 2 909 82 82 ASN HD21 H 7.580 0.030 2 910 82 82 ASN HD22 H 6.864 0.030 2 911 82 82 ASN C C 174.337 0.300 1 912 82 82 ASN CA C 54.250 0.300 1 913 82 82 ASN CB C 37.000 0.300 1 914 82 82 ASN N N 114.218 0.300 1 915 82 82 ASN ND2 N 112.861 0.300 1 916 83 83 LEU H H 7.227 0.030 1 917 83 83 LEU HA H 4.390 0.030 1 918 83 83 LEU HB2 H 1.670 0.030 2 919 83 83 LEU HB3 H 1.017 0.030 2 920 83 83 LEU HG H 1.590 0.030 1 921 83 83 LEU HD1 H 0.733 0.030 1 922 83 83 LEU HD2 H 0.774 0.030 1 923 83 83 LEU C C 175.225 0.300 1 924 83 83 LEU CA C 54.337 0.300 1 925 83 83 LEU CB C 41.781 0.300 1 926 83 83 LEU CG C 26.241 0.300 1 927 83 83 LEU CD1 C 25.668 0.300 2 928 83 83 LEU CD2 C 23.455 0.300 2 929 83 83 LEU N N 117.849 0.300 1 930 84 84 ALA H H 8.341 0.030 1 931 84 84 ALA HA H 4.307 0.030 1 932 84 84 ALA HB H 1.393 0.030 1 933 84 84 ALA C C 175.875 0.300 1 934 84 84 ALA CA C 50.577 0.300 1 935 84 84 ALA CB C 21.447 0.300 1 936 84 84 ALA N N 124.667 0.300 1 937 85 85 HIS H H 8.488 0.030 1 938 85 85 HIS HA H 4.533 0.030 1 939 85 85 HIS HB2 H 3.153 0.030 2 940 85 85 HIS HB3 H 3.073 0.030 2 941 85 85 HIS HD2 H 6.994 0.030 1 942 85 85 HIS HE1 H 7.814 0.030 1 943 85 85 HIS C C 177.599 0.300 1 944 85 85 HIS CA C 58.579 0.300 1 945 85 85 HIS CB C 31.051 0.300 1 946 85 85 HIS CD2 C 118.270 0.300 1 947 85 85 HIS CE1 C 138.892 0.300 1 948 85 85 HIS N N 117.960 0.300 1 949 86 86 GLY H H 9.081 0.030 1 950 86 86 GLY HA2 H 4.111 0.030 2 951 86 86 GLY HA3 H 3.334 0.030 2 952 86 86 GLY C C 174.837 0.300 1 953 86 86 GLY CA C 45.026 0.300 1 954 86 86 GLY N N 115.030 0.300 1 955 87 87 SER H H 8.517 0.030 1 956 87 87 SER HA H 4.358 0.030 1 957 87 87 SER HB2 H 4.027 0.030 2 958 87 87 SER HB3 H 3.867 0.030 2 959 87 87 SER C C 170.707 0.300 1 960 87 87 SER CA C 60.689 0.300 1 961 87 87 SER CB C 63.930 0.300 1 962 87 87 SER N N 118.266 0.300 1 963 88 88 MET H H 8.296 0.030 1 964 88 88 MET HA H 5.101 0.030 1 965 88 88 MET HB2 H 1.699 0.030 1 966 88 88 MET HB3 H 1.699 0.030 1 967 88 88 MET HG2 H 1.873 0.030 1 968 88 88 MET HG3 H 1.873 0.030 1 969 88 88 MET HE H 1.902 0.030 1 970 88 88 MET C C 174.147 0.300 1 971 88 88 MET CA C 54.067 0.300 1 972 88 88 MET CB C 34.919 0.300 1 973 88 88 MET CG C 31.137 0.300 1 974 88 88 MET CE C 16.688 0.300 1 975 88 88 MET N N 121.270 0.300 1 976 89 89 VAL H H 8.488 0.030 1 977 89 89 VAL HA H 4.009 0.030 1 978 89 89 VAL HB H 1.731 0.030 1 979 89 89 VAL HG1 H 0.738 0.030 1 980 89 89 VAL HG2 H 0.736 0.030 1 981 89 89 VAL C C 172.156 0.300 1 982 89 89 VAL CA C 60.070 0.300 1 983 89 89 VAL CB C 35.143 0.300 1 984 89 89 VAL CG1 C 22.196 0.300 2 985 89 89 VAL CG2 C 22.171 0.300 2 986 89 89 VAL N N 121.148 0.300 1 987 90 90 TYR H H 8.697 0.030 1 988 90 90 TYR HA H 5.190 0.030 1 989 90 90 TYR HB2 H 2.627 0.030 2 990 90 90 TYR HB3 H 2.508 0.030 2 991 90 90 TYR HD1 H 6.809 0.030 1 992 90 90 TYR HD2 H 6.809 0.030 1 993 90 90 TYR HE1 H 6.639 0.030 1 994 90 90 TYR HE2 H 6.639 0.030 1 995 90 90 TYR C C 173.120 0.300 1 996 90 90 TYR CA C 57.170 0.300 1 997 90 90 TYR CB C 39.437 0.300 1 998 90 90 TYR CD1 C 132.918 0.300 1 999 90 90 TYR CD2 C 132.918 0.300 1 1000 90 90 TYR CE1 C 117.118 0.300 1 1001 90 90 TYR CE2 C 117.118 0.300 1 1002 90 90 TYR N N 123.098 0.300 1 1003 91 91 LEU H H 8.422 0.030 1 1004 91 91 LEU HA H 5.174 0.030 1 1005 91 91 LEU HB2 H 1.223 0.030 2 1006 91 91 LEU HB3 H 1.039 0.030 2 1007 91 91 LEU HG H 1.268 0.030 1 1008 91 91 LEU HD1 H 0.749 0.030 1 1009 91 91 LEU HD2 H 0.581 0.030 1 1010 91 91 LEU C C 173.906 0.300 1 1011 91 91 LEU CA C 52.888 0.300 1 1012 91 91 LEU CB C 46.888 0.300 1 1013 91 91 LEU CG C 28.185 0.300 1 1014 91 91 LEU CD1 C 24.000 0.300 2 1015 91 91 LEU CD2 C 26.879 0.300 2 1016 91 91 LEU N N 123.065 0.300 1 1017 92 92 ALA H H 9.083 0.030 1 1018 92 92 ALA HA H 4.479 0.030 1 1019 92 92 ALA HB H 0.626 0.030 1 1020 92 92 ALA C C 173.928 0.300 1 1021 92 92 ALA CA C 50.494 0.300 1 1022 92 92 ALA CB C 21.855 0.300 1 1023 92 92 ALA N N 128.461 0.300 1 1024 93 93 TYR H H 8.248 0.030 1 1025 93 93 TYR HA H 5.562 0.030 1 1026 93 93 TYR HB2 H 2.694 0.030 1 1027 93 93 TYR HB3 H 2.694 0.030 1 1028 93 93 TYR HD1 H 6.628 0.030 1 1029 93 93 TYR HD2 H 6.628 0.030 1 1030 93 93 TYR HE1 H 6.652 0.030 1 1031 93 93 TYR HE2 H 6.652 0.030 1 1032 93 93 TYR C C 174.358 0.300 1 1033 93 93 TYR CA C 55.169 0.300 1 1034 93 93 TYR CB C 41.330 0.300 1 1035 93 93 TYR CD1 C 133.843 0.300 1 1036 93 93 TYR CD2 C 133.843 0.300 1 1037 93 93 TYR CE1 C 117.919 0.300 1 1038 93 93 TYR CE2 C 117.919 0.300 1 1039 93 93 TYR N N 115.049 0.300 1 1040 94 94 GLU H H 7.867 0.030 1 1041 94 94 GLU HA H 4.551 0.030 1 1042 94 94 GLU HB2 H 2.058 0.030 2 1043 94 94 GLU HB3 H 1.902 0.030 2 1044 94 94 GLU HG2 H 2.272 0.030 2 1045 94 94 GLU HG3 H 2.202 0.030 2 1046 94 94 GLU C C 176.226 0.300 1 1047 94 94 GLU CA C 55.087 0.300 1 1048 94 94 GLU CB C 32.362 0.300 1 1049 94 94 GLU CG C 36.899 0.300 1 1050 94 94 GLU N N 120.902 0.300 1 1051 95 95 GLY H H 8.623 0.030 1 1052 95 95 GLY HA2 H 4.169 0.030 2 1053 95 95 GLY HA3 H 3.857 0.030 2 1054 95 95 GLY C C 173.042 0.300 1 1055 95 95 GLY CA C 45.075 0.300 1 1056 95 95 GLY N N 109.854 0.300 1 1057 96 96 GLU H H 8.269 0.030 1 1058 96 96 GLU HA H 4.837 0.030 1 1059 96 96 GLU HB2 H 2.158 0.030 2 1060 96 96 GLU HB3 H 1.863 0.030 2 1061 96 96 GLU HG2 H 2.317 0.030 2 1062 96 96 GLU HG3 H 2.277 0.030 2 1063 96 96 GLU C C 177.442 0.300 1 1064 96 96 GLU CA C 54.948 0.300 1 1065 96 96 GLU CB C 32.561 0.300 1 1066 96 96 GLU CG C 36.087 0.300 1 1067 96 96 GLU N N 117.831 0.300 1 1068 97 97 ARG H H 8.885 0.030 1 1069 97 97 ARG HA H 4.445 0.030 1 1070 97 97 ARG HB2 H 1.820 0.030 2 1071 97 97 ARG HB3 H 1.681 0.030 2 1072 97 97 ARG HG2 H 1.667 0.030 2 1073 97 97 ARG HG3 H 1.306 0.030 2 1074 97 97 ARG HD2 H 3.168 0.030 2 1075 97 97 ARG HD3 H 2.869 0.030 2 1076 97 97 ARG HE H 6.065 0.030 1 1077 97 97 ARG C C 176.934 0.300 1 1078 97 97 ARG CA C 56.803 0.300 1 1079 97 97 ARG CB C 30.736 0.300 1 1080 97 97 ARG CG C 27.957 0.300 1 1081 97 97 ARG CD C 43.545 0.300 1 1082 97 97 ARG N N 122.436 0.300 1 1083 97 97 ARG NE N 114.095 0.300 1 1084 98 98 THR H H 8.637 0.030 1 1085 98 98 THR HA H 4.268 0.030 1 1086 98 98 THR HB H 4.164 0.030 1 1087 98 98 THR HG2 H 1.171 0.030 1 1088 98 98 THR C C 173.992 0.300 1 1089 98 98 THR CA C 62.085 0.300 1 1090 98 98 THR CB C 69.533 0.300 1 1091 98 98 THR CG2 C 21.864 0.300 1 1092 98 98 THR N N 116.667 0.300 1 1093 99 99 ILE H H 8.103 0.030 1 1094 99 99 ILE HA H 4.147 0.030 1 1095 99 99 ILE HB H 1.802 0.030 1 1096 99 99 ILE HG12 H 1.137 0.030 2 1097 99 99 ILE HG13 H 1.429 0.030 2 1098 99 99 ILE HG2 H 0.864 0.030 1 1099 99 99 ILE HD1 H 0.811 0.030 1 1100 99 99 ILE C C 176.190 0.300 1 1101 99 99 ILE CA C 60.709 0.300 1 1102 99 99 ILE CB C 38.781 0.300 1 1103 99 99 ILE CG1 C 27.310 0.300 1 1104 99 99 ILE CG2 C 17.494 0.300 1 1105 99 99 ILE CD1 C 12.761 0.300 1 1106 99 99 ILE N N 122.788 0.300 1 1107 100 100 ARG H H 8.557 0.030 1 1108 100 100 ARG HA H 4.304 0.030 1 1109 100 100 ARG HB2 H 1.838 0.030 2 1110 100 100 ARG HB3 H 1.754 0.030 2 1111 100 100 ARG HG2 H 1.646 0.030 2 1112 100 100 ARG HG3 H 1.611 0.030 2 1113 100 100 ARG HD2 H 3.191 0.030 1 1114 100 100 ARG HD3 H 3.191 0.030 1 1115 100 100 ARG HE H 7.214 0.030 1 1116 100 100 ARG C C 176.748 0.300 1 1117 100 100 ARG CA C 56.416 0.300 1 1118 100 100 ARG CB C 30.926 0.300 1 1119 100 100 ARG CG C 27.265 0.300 1 1120 100 100 ARG CD C 43.397 0.300 1 1121 100 100 ARG N N 126.539 0.300 1 1122 101 101 GLY H H 8.511 0.030 1 1123 101 101 GLY HA2 H 4.006 0.030 1 1124 101 101 GLY HA3 H 4.006 0.030 1 1125 101 101 GLY C C 174.044 0.300 1 1126 101 101 GLY CA C 45.305 0.300 1 1127 101 101 GLY N N 111.079 0.300 1 1128 102 102 SER H H 8.281 0.030 1 1129 102 102 SER HA H 4.507 0.030 1 1130 102 102 SER HB2 H 3.899 0.030 1 1131 102 102 SER HB3 H 3.899 0.030 1 1132 102 102 SER C C 174.695 0.300 1 1133 102 102 SER CA C 58.359 0.300 1 1134 102 102 SER CB C 64.115 0.300 1 1135 102 102 SER N N 115.520 0.300 1 1136 103 103 GLY H H 8.350 0.030 1 1137 103 103 GLY HA2 H 4.136 0.030 1 1138 103 103 GLY HA3 H 4.136 0.030 1 1139 103 103 GLY C C 171.870 0.300 1 1140 103 103 GLY CA C 44.691 0.300 1 1141 103 103 GLY N N 110.758 0.300 1 1142 104 104 PRO HA H 4.484 0.030 1 1143 104 104 PRO HB2 H 2.301 0.030 2 1144 104 104 PRO HB3 H 1.978 0.030 2 1145 104 104 PRO HG2 H 2.017 0.030 1 1146 104 104 PRO HG3 H 2.017 0.030 1 1147 104 104 PRO HD2 H 3.631 0.030 1 1148 104 104 PRO HD3 H 3.631 0.030 1 1149 104 104 PRO C C 177.400 0.300 1 1150 104 104 PRO CA C 63.320 0.300 1 1151 104 104 PRO CB C 32.222 0.300 1 1152 104 104 PRO CG C 27.183 0.300 1 1153 104 104 PRO CD C 49.792 0.300 1 1154 105 105 SER H H 8.535 0.030 1 1155 105 105 SER HA H 4.747 0.030 1 1156 105 105 SER HB2 H 4.027 0.030 2 1157 105 105 SER HB3 H 3.874 0.030 2 1158 105 105 SER C C 174.650 0.300 1 1159 105 105 SER CA C 58.405 0.300 1 1160 105 105 SER CB C 63.958 0.300 1 1161 105 105 SER N N 116.386 0.300 1 1162 106 106 SER H H 8.319 0.030 1 1163 106 106 SER HA H 4.520 0.030 1 1164 106 106 SER HB2 H 3.865 0.030 1 1165 106 106 SER HB3 H 3.865 0.030 1 1166 106 106 SER C C 173.952 0.300 1 1167 106 106 SER CA C 58.455 0.300 1 1168 106 106 SER CB C 64.111 0.300 1 1169 106 106 SER N N 117.830 0.300 1 1170 107 107 GLY H H 8.051 0.030 1 1171 107 107 GLY HA2 H 3.798 0.030 2 1172 107 107 GLY HA3 H 3.750 0.030 2 1173 107 107 GLY C C 178.991 0.300 1 1174 107 107 GLY CA C 46.278 0.300 1 1175 107 107 GLY N N 116.856 0.300 1 stop_ save_