data_10129 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first Fn3 domain of Sidekick-2 protein ; _BMRB_accession_number 10129 _BMRB_flat_file_name bmr10129.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" 673 "13C chemical shifts" 514 "15N chemical shifts" 115 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 the first Fn3 domain of Sidekick-2 protein' _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 'sidekick 2 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'sidekick 2 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 'FNIII domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; GSSGSSGRSAHLRVRQLPHA PEHPVATLSTVERRAINLTW TKPFDGNSPLIRYILEMSEN NAPWTVLLASVDPKATSVTV KGLVPARSYQFRLCAVNDVG KGQFSKDTERVSLPESGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 SER 10 ALA 11 HIS 12 LEU 13 ARG 14 VAL 15 ARG 16 GLN 17 LEU 18 PRO 19 HIS 20 ALA 21 PRO 22 GLU 23 HIS 24 PRO 25 VAL 26 ALA 27 THR 28 LEU 29 SER 30 THR 31 VAL 32 GLU 33 ARG 34 ARG 35 ALA 36 ILE 37 ASN 38 LEU 39 THR 40 TRP 41 THR 42 LYS 43 PRO 44 PHE 45 ASP 46 GLY 47 ASN 48 SER 49 PRO 50 LEU 51 ILE 52 ARG 53 TYR 54 ILE 55 LEU 56 GLU 57 MET 58 SER 59 GLU 60 ASN 61 ASN 62 ALA 63 PRO 64 TRP 65 THR 66 VAL 67 LEU 68 LEU 69 ALA 70 SER 71 VAL 72 ASP 73 PRO 74 LYS 75 ALA 76 THR 77 SER 78 VAL 79 THR 80 VAL 81 LYS 82 GLY 83 LEU 84 VAL 85 PRO 86 ALA 87 ARG 88 SER 89 TYR 90 GLN 91 PHE 92 ARG 93 LEU 94 CYS 95 ALA 96 VAL 97 ASN 98 ASP 99 VAL 100 GLY 101 LYS 102 GLY 103 GLN 104 PHE 105 SER 106 LYS 107 ASP 108 THR 109 GLU 110 ARG 111 VAL 112 SER 113 LEU 114 PRO 115 GLU 116 SER 117 GLY 118 PRO 119 SER 120 SER 121 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WF5 "Solution Structure Of The First Fn3 Domain Of Sidekick-2 Protein" 100.00 121 100.00 100.00 9.35e-82 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P040223-40 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 1.29 mM '[U-13C; U-15N]' 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 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'sidekick 2 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 3.867 0.030 1 2 1 1 GLY HA3 H 3.867 0.030 1 3 1 1 GLY CA C 43.815 0.300 1 4 4 4 GLY HA2 H 3.777 0.030 1 5 4 4 GLY HA3 H 3.777 0.030 1 6 4 4 GLY CA C 44.334 0.300 1 7 7 7 GLY HA2 H 4.026 0.030 2 8 7 7 GLY HA3 H 3.983 0.030 2 9 7 7 GLY C C 174.354 0.300 1 10 7 7 GLY CA C 45.458 0.300 1 11 8 8 ARG H H 8.183 0.030 1 12 8 8 ARG HA H 4.355 0.030 1 13 8 8 ARG HB2 H 1.865 0.030 2 14 8 8 ARG HB3 H 1.757 0.030 2 15 8 8 ARG HG2 H 1.626 0.030 1 16 8 8 ARG HG3 H 1.626 0.030 1 17 8 8 ARG HD2 H 3.514 0.030 1 18 8 8 ARG HD3 H 3.514 0.030 1 19 8 8 ARG C C 176.620 0.300 1 20 8 8 ARG CA C 56.352 0.300 1 21 8 8 ARG CB C 30.854 0.300 1 22 8 8 ARG CG C 27.032 0.300 1 23 8 8 ARG CD C 43.311 0.300 1 24 8 8 ARG N N 120.588 0.300 1 25 9 9 SER H H 8.334 0.030 1 26 9 9 SER HA H 4.406 0.030 1 27 9 9 SER HB2 H 3.843 0.030 1 28 9 9 SER HB3 H 3.843 0.030 1 29 9 9 SER C C 174.721 0.300 1 30 9 9 SER CA C 58.522 0.300 1 31 9 9 SER CB C 63.680 0.300 1 32 9 9 SER N N 116.607 0.300 1 33 10 10 ALA H H 8.325 0.030 1 34 10 10 ALA HA H 4.206 0.030 1 35 10 10 ALA HB H 1.338 0.030 1 36 10 10 ALA C C 177.850 0.300 1 37 10 10 ALA CA C 53.284 0.300 1 38 10 10 ALA CB C 18.985 0.300 1 39 10 10 ALA N N 125.992 0.300 1 40 11 11 HIS H H 8.167 0.030 1 41 11 11 HIS HA H 4.557 0.030 1 42 11 11 HIS HB2 H 3.070 0.030 1 43 11 11 HIS HB3 H 3.070 0.030 1 44 11 11 HIS HD2 H 6.972 0.030 1 45 11 11 HIS C C 175.517 0.300 1 46 11 11 HIS CA C 56.570 0.300 1 47 11 11 HIS CB C 30.597 0.300 1 48 11 11 HIS CD2 C 119.369 0.300 1 49 11 11 HIS N N 117.546 0.300 1 50 12 12 LEU H H 7.858 0.030 1 51 12 12 LEU HA H 4.278 0.030 1 52 12 12 LEU HB2 H 1.596 0.030 2 53 12 12 LEU HB3 H 1.518 0.030 2 54 12 12 LEU HG H 1.343 0.030 1 55 12 12 LEU HD1 H 0.874 0.030 1 56 12 12 LEU HD2 H 0.796 0.030 1 57 12 12 LEU C C 177.088 0.300 1 58 12 12 LEU CA C 55.171 0.300 1 59 12 12 LEU CB C 42.322 0.300 1 60 12 12 LEU CG C 26.844 0.300 1 61 12 12 LEU CD1 C 24.990 0.300 2 62 12 12 LEU CD2 C 23.315 0.300 2 63 12 12 LEU N N 122.209 0.300 1 64 13 13 ARG H H 8.225 0.030 1 65 13 13 ARG HA H 4.329 0.030 1 66 13 13 ARG HB2 H 1.792 0.030 2 67 13 13 ARG HB3 H 1.746 0.030 2 68 13 13 ARG HG2 H 1.639 0.030 2 69 13 13 ARG HG3 H 1.558 0.030 2 70 13 13 ARG HD2 H 3.185 0.030 1 71 13 13 ARG HD3 H 3.185 0.030 1 72 13 13 ARG C C 175.794 0.300 1 73 13 13 ARG CA C 55.919 0.300 1 74 13 13 ARG CB C 30.696 0.300 1 75 13 13 ARG CG C 27.399 0.300 1 76 13 13 ARG CD C 43.448 0.300 1 77 13 13 ARG N N 121.507 0.300 1 78 14 14 VAL H H 8.003 0.030 1 79 14 14 VAL HA H 4.065 0.030 1 80 14 14 VAL HB H 2.020 0.030 1 81 14 14 VAL HG1 H 0.942 0.030 1 82 14 14 VAL HG2 H 0.929 0.030 1 83 14 14 VAL C C 176.206 0.300 1 84 14 14 VAL CA C 62.301 0.300 1 85 14 14 VAL CB C 32.930 0.300 1 86 14 14 VAL CG1 C 20.878 0.300 2 87 14 14 VAL CG2 C 21.151 0.300 2 88 14 14 VAL N N 121.552 0.300 1 89 15 15 ARG H H 8.450 0.030 1 90 15 15 ARG HA H 4.602 0.030 1 91 15 15 ARG HB2 H 1.700 0.030 2 92 15 15 ARG HB3 H 1.553 0.030 2 93 15 15 ARG HG2 H 1.650 0.030 2 94 15 15 ARG HG3 H 1.543 0.030 2 95 15 15 ARG HD2 H 3.199 0.030 2 96 15 15 ARG HD3 H 3.145 0.030 2 97 15 15 ARG C C 175.603 0.300 1 98 15 15 ARG CA C 56.412 0.300 1 99 15 15 ARG CB C 30.826 0.300 1 100 15 15 ARG CG C 27.763 0.300 1 101 15 15 ARG CD C 43.754 0.300 1 102 15 15 ARG N N 126.811 0.300 1 103 16 16 GLN H H 9.416 0.030 1 104 16 16 GLN HA H 4.739 0.030 1 105 16 16 GLN HB2 H 2.360 0.030 2 106 16 16 GLN HB3 H 2.272 0.030 2 107 16 16 GLN HG2 H 2.214 0.030 2 108 16 16 GLN HG3 H 2.087 0.030 2 109 16 16 GLN HE21 H 7.622 0.030 2 110 16 16 GLN HE22 H 7.085 0.030 2 111 16 16 GLN C C 173.349 0.300 1 112 16 16 GLN CA C 53.914 0.300 1 113 16 16 GLN CB C 33.807 0.300 1 114 16 16 GLN CG C 33.829 0.300 1 115 16 16 GLN N N 122.885 0.300 1 116 16 16 GLN NE2 N 112.012 0.300 1 117 17 17 LEU H H 7.993 0.030 1 118 17 17 LEU HA H 4.149 0.030 1 119 17 17 LEU HB2 H 1.619 0.030 2 120 17 17 LEU HB3 H 1.156 0.030 2 121 17 17 LEU HG H 1.670 0.030 1 122 17 17 LEU HD1 H 0.934 0.030 1 123 17 17 LEU HD2 H 0.581 0.030 1 124 17 17 LEU C C 174.339 0.300 1 125 17 17 LEU CA C 53.489 0.300 1 126 17 17 LEU CB C 40.770 0.300 1 127 17 17 LEU CG C 26.732 0.300 1 128 17 17 LEU CD1 C 25.469 0.300 2 129 17 17 LEU CD2 C 21.904 0.300 2 130 17 17 LEU N N 118.813 0.300 1 131 18 18 PRO HA H 4.065 0.030 1 132 18 18 PRO HB2 H 1.833 0.030 2 133 18 18 PRO HB3 H 1.859 0.030 2 134 18 18 PRO HG2 H 1.643 0.030 2 135 18 18 PRO HG3 H 1.440 0.030 2 136 18 18 PRO HD2 H 3.660 0.030 2 137 18 18 PRO HD3 H 3.063 0.030 2 138 18 18 PRO C C 176.455 0.300 1 139 18 18 PRO CA C 62.154 0.300 1 140 18 18 PRO CB C 32.500 0.300 1 141 18 18 PRO CG C 27.080 0.300 1 142 18 18 PRO CD C 49.200 0.300 1 143 19 19 HIS H H 8.118 0.030 1 144 19 19 HIS HA H 4.730 0.030 1 145 19 19 HIS HB2 H 3.578 0.030 2 146 19 19 HIS HB3 H 3.332 0.030 2 147 19 19 HIS HD2 H 7.059 0.030 1 148 19 19 HIS HE1 H 7.823 0.030 1 149 19 19 HIS C C 174.994 0.300 1 150 19 19 HIS CA C 54.588 0.300 1 151 19 19 HIS CB C 32.563 0.300 1 152 19 19 HIS CD2 C 117.665 0.300 1 153 19 19 HIS CE1 C 138.431 0.300 1 154 19 19 HIS N N 118.290 0.300 1 155 20 20 ALA H H 8.467 0.030 1 156 20 20 ALA HA H 4.660 0.030 1 157 20 20 ALA HB H 1.052 0.030 1 158 20 20 ALA C C 176.616 0.300 1 159 20 20 ALA CA C 50.428 0.300 1 160 20 20 ALA CB C 18.685 0.300 1 161 20 20 ALA N N 122.682 0.300 1 162 21 21 PRO HA H 4.237 0.030 1 163 21 21 PRO HB2 H 2.184 0.030 2 164 21 21 PRO HB3 H 1.478 0.030 2 165 21 21 PRO HG2 H 1.717 0.030 2 166 21 21 PRO HG3 H 1.669 0.030 2 167 21 21 PRO HD2 H 4.437 0.030 2 168 21 21 PRO HD3 H 3.700 0.030 2 169 21 21 PRO C C 174.553 0.300 1 170 21 21 PRO CA C 63.653 0.300 1 171 21 21 PRO CB C 31.838 0.300 1 172 21 21 PRO CG C 28.601 0.300 1 173 21 21 PRO CD C 50.175 0.300 1 174 22 22 GLU H H 7.838 0.030 1 175 22 22 GLU HA H 4.410 0.030 1 176 22 22 GLU HB2 H 1.781 0.030 1 177 22 22 GLU HB3 H 1.781 0.030 1 178 22 22 GLU HG2 H 2.393 0.030 2 179 22 22 GLU HG3 H 2.231 0.030 2 180 22 22 GLU C C 174.681 0.300 1 181 22 22 GLU CA C 55.645 0.300 1 182 22 22 GLU CB C 33.072 0.300 1 183 22 22 GLU CG C 36.666 0.300 1 184 22 22 GLU N N 121.399 0.300 1 185 23 23 HIS H H 8.928 0.030 1 186 23 23 HIS HA H 4.380 0.030 1 187 23 23 HIS HB2 H 3.342 0.030 2 188 23 23 HIS HB3 H 3.131 0.030 2 189 23 23 HIS HD2 H 7.147 0.030 1 190 23 23 HIS HE1 H 8.149 0.030 1 191 23 23 HIS C C 170.726 0.300 1 192 23 23 HIS CA C 55.751 0.300 1 193 23 23 HIS CB C 29.376 0.300 1 194 23 23 HIS CD2 C 119.569 0.300 1 195 23 23 HIS CE1 C 137.113 0.300 1 196 23 23 HIS N N 116.105 0.300 1 197 24 24 PRO HA H 5.600 0.030 1 198 24 24 PRO HB2 H 1.759 0.030 2 199 24 24 PRO HB3 H 1.712 0.030 2 200 24 24 PRO HG2 H 2.189 0.030 2 201 24 24 PRO HG3 H 2.126 0.030 2 202 24 24 PRO HD2 H 3.764 0.030 2 203 24 24 PRO HD3 H 3.389 0.030 2 204 24 24 PRO C C 177.605 0.300 1 205 24 24 PRO CA C 62.619 0.300 1 206 24 24 PRO CB C 31.016 0.300 1 207 24 24 PRO CG C 28.086 0.300 1 208 24 24 PRO CD C 50.432 0.300 1 209 25 25 VAL H H 9.205 0.030 1 210 25 25 VAL HA H 4.267 0.030 1 211 25 25 VAL HB H 1.927 0.030 1 212 25 25 VAL HG1 H 0.904 0.030 1 213 25 25 VAL HG2 H 0.845 0.030 1 214 25 25 VAL C C 174.190 0.300 1 215 25 25 VAL CA C 62.447 0.300 1 216 25 25 VAL CB C 36.024 0.300 1 217 25 25 VAL CG1 C 21.640 0.300 2 218 25 25 VAL CG2 C 21.635 0.300 2 219 25 25 VAL N N 124.613 0.300 1 220 26 26 ALA H H 8.599 0.030 1 221 26 26 ALA HA H 5.573 0.030 1 222 26 26 ALA HB H 1.485 0.030 1 223 26 26 ALA C C 176.098 0.300 1 224 26 26 ALA CA C 50.048 0.300 1 225 26 26 ALA CB C 22.493 0.300 1 226 26 26 ALA N N 129.788 0.300 1 227 27 27 THR H H 9.043 0.030 1 228 27 27 THR HA H 4.660 0.030 1 229 27 27 THR HB H 4.067 0.030 1 230 27 27 THR HG2 H 1.256 0.030 1 231 27 27 THR C C 173.623 0.300 1 232 27 27 THR CA C 59.930 0.300 1 233 27 27 THR CB C 72.118 0.300 1 234 27 27 THR CG2 C 22.188 0.300 1 235 27 27 THR N N 114.437 0.300 1 236 28 28 LEU H H 9.008 0.030 1 237 28 28 LEU HA H 4.261 0.030 1 238 28 28 LEU HB2 H 1.658 0.030 1 239 28 28 LEU HB3 H 1.658 0.030 1 240 28 28 LEU HG H 1.803 0.030 1 241 28 28 LEU HD1 H 1.082 0.030 1 242 28 28 LEU HD2 H 0.983 0.030 1 243 28 28 LEU C C 177.516 0.300 1 244 28 28 LEU CA C 56.175 0.300 1 245 28 28 LEU CB C 41.949 0.300 1 246 28 28 LEU CG C 27.069 0.300 1 247 28 28 LEU CD1 C 25.086 0.300 2 248 28 28 LEU CD2 C 24.638 0.300 2 249 28 28 LEU N N 125.190 0.300 1 250 29 29 SER H H 8.125 0.030 1 251 29 29 SER HA H 4.362 0.030 1 252 29 29 SER HB2 H 4.050 0.030 2 253 29 29 SER HB3 H 3.539 0.030 2 254 29 29 SER C C 176.402 0.300 1 255 29 29 SER CA C 58.469 0.300 1 256 29 29 SER CB C 63.787 0.300 1 257 29 29 SER N N 117.606 0.300 1 258 30 30 THR H H 8.850 0.030 1 259 30 30 THR HA H 4.453 0.030 1 260 30 30 THR HB H 4.464 0.030 1 261 30 30 THR HG2 H 1.257 0.030 1 262 30 30 THR C C 175.082 0.300 1 263 30 30 THR CA C 62.261 0.300 1 264 30 30 THR CB C 68.893 0.300 1 265 30 30 THR CG2 C 21.949 0.300 1 266 30 30 THR N N 117.006 0.300 1 267 31 31 VAL H H 7.927 0.030 1 268 31 31 VAL HA H 4.279 0.030 1 269 31 31 VAL HB H 2.045 0.030 1 270 31 31 VAL HG1 H 0.904 0.030 1 271 31 31 VAL HG2 H 0.869 0.030 1 272 31 31 VAL C C 175.310 0.300 1 273 31 31 VAL CA C 62.482 0.300 1 274 31 31 VAL CB C 33.694 0.300 1 275 31 31 VAL CG1 C 21.374 0.300 2 276 31 31 VAL CG2 C 20.043 0.300 2 277 31 31 VAL N N 117.292 0.300 1 278 32 32 GLU H H 7.717 0.030 1 279 32 32 GLU HA H 4.560 0.030 1 280 32 32 GLU HB2 H 1.839 0.030 2 281 32 32 GLU HB3 H 1.737 0.030 2 282 32 32 GLU HG2 H 2.121 0.030 1 283 32 32 GLU HG3 H 2.121 0.030 1 284 32 32 GLU C C 174.950 0.300 1 285 32 32 GLU CA C 54.681 0.300 1 286 32 32 GLU CB C 32.409 0.300 1 287 32 32 GLU CG C 36.279 0.300 1 288 32 32 GLU N N 121.071 0.300 1 289 33 33 ARG H H 8.539 0.030 1 290 33 33 ARG HA H 4.233 0.030 1 291 33 33 ARG HB2 H 1.852 0.030 2 292 33 33 ARG HB3 H 1.795 0.030 2 293 33 33 ARG HG2 H 1.713 0.030 1 294 33 33 ARG HG3 H 1.713 0.030 1 295 33 33 ARG HD2 H 3.228 0.030 1 296 33 33 ARG HD3 H 3.228 0.030 1 297 33 33 ARG C C 176.246 0.300 1 298 33 33 ARG CA C 56.555 0.300 1 299 33 33 ARG CB C 30.979 0.300 1 300 33 33 ARG CG C 27.465 0.300 1 301 33 33 ARG CD C 43.387 0.300 1 302 33 33 ARG N N 122.495 0.300 1 303 34 34 ARG H H 9.015 0.030 1 304 34 34 ARG HA H 3.689 0.030 1 305 34 34 ARG HB2 H 2.231 0.030 2 306 34 34 ARG HB3 H 1.898 0.030 2 307 34 34 ARG HG2 H 1.605 0.030 2 308 34 34 ARG HG3 H 1.472 0.030 2 309 34 34 ARG HD2 H 3.306 0.030 2 310 34 34 ARG HD3 H 3.246 0.030 2 311 34 34 ARG C C 173.133 0.300 1 312 34 34 ARG CA C 57.216 0.300 1 313 34 34 ARG CB C 27.556 0.300 1 314 34 34 ARG CG C 28.000 0.300 1 315 34 34 ARG CD C 44.061 0.300 1 316 34 34 ARG N N 116.751 0.300 1 317 35 35 ALA H H 7.726 0.030 1 318 35 35 ALA HA H 5.523 0.030 1 319 35 35 ALA HB H 1.097 0.030 1 320 35 35 ALA C C 176.476 0.300 1 321 35 35 ALA CA C 50.453 0.300 1 322 35 35 ALA CB C 23.144 0.300 1 323 35 35 ALA N N 117.423 0.300 1 324 36 36 ILE H H 8.667 0.030 1 325 36 36 ILE HA H 4.426 0.030 1 326 36 36 ILE HB H 1.268 0.030 1 327 36 36 ILE HG12 H 1.453 0.030 2 328 36 36 ILE HG13 H 0.843 0.030 2 329 36 36 ILE HG2 H 0.713 0.030 1 330 36 36 ILE HD1 H 0.727 0.030 1 331 36 36 ILE C C 173.695 0.300 1 332 36 36 ILE CA C 59.869 0.300 1 333 36 36 ILE CB C 42.815 0.300 1 334 36 36 ILE CG1 C 29.295 0.300 1 335 36 36 ILE CG2 C 17.973 0.300 1 336 36 36 ILE CD1 C 14.564 0.300 1 337 36 36 ILE N N 120.749 0.300 1 338 37 37 ASN H H 9.323 0.030 1 339 37 37 ASN HA H 5.129 0.030 1 340 37 37 ASN HB2 H 2.824 0.030 2 341 37 37 ASN HB3 H 2.682 0.030 2 342 37 37 ASN HD21 H 7.483 0.030 2 343 37 37 ASN HD22 H 6.686 0.030 2 344 37 37 ASN C C 173.600 0.300 1 345 37 37 ASN CA C 52.423 0.300 1 346 37 37 ASN CB C 40.227 0.300 1 347 37 37 ASN N N 125.166 0.300 1 348 37 37 ASN ND2 N 111.766 0.300 1 349 38 38 LEU H H 9.086 0.030 1 350 38 38 LEU HA H 5.686 0.030 1 351 38 38 LEU HB2 H 1.570 0.030 1 352 38 38 LEU HB3 H 1.570 0.030 1 353 38 38 LEU HG H 1.395 0.030 1 354 38 38 LEU HD1 H 0.509 0.030 1 355 38 38 LEU HD2 H 0.452 0.030 1 356 38 38 LEU C C 176.319 0.300 1 357 38 38 LEU CA C 53.516 0.300 1 358 38 38 LEU CB C 45.599 0.300 1 359 38 38 LEU CG C 27.927 0.300 1 360 38 38 LEU CD1 C 26.204 0.300 2 361 38 38 LEU CD2 C 25.817 0.300 2 362 38 38 LEU N N 126.475 0.300 1 363 39 39 THR H H 8.795 0.030 1 364 39 39 THR HA H 4.932 0.030 1 365 39 39 THR HB H 4.158 0.030 1 366 39 39 THR HG2 H 1.073 0.030 1 367 39 39 THR C C 172.857 0.300 1 368 39 39 THR CA C 60.263 0.300 1 369 39 39 THR CB C 72.113 0.300 1 370 39 39 THR CG2 C 21.452 0.300 1 371 39 39 THR N N 114.025 0.300 1 372 40 40 TRP H H 7.768 0.030 1 373 40 40 TRP HA H 4.926 0.030 1 374 40 40 TRP HB2 H 3.256 0.030 2 375 40 40 TRP HB3 H 2.879 0.030 2 376 40 40 TRP HD1 H 6.610 0.030 1 377 40 40 TRP HE1 H 7.931 0.030 1 378 40 40 TRP HE3 H 6.722 0.030 1 379 40 40 TRP HZ2 H 6.344 0.030 1 380 40 40 TRP HH2 H 6.338 0.030 1 381 40 40 TRP C C 173.190 0.300 1 382 40 40 TRP CA C 57.799 0.300 1 383 40 40 TRP CB C 29.395 0.300 1 384 40 40 TRP CD1 C 124.044 0.300 1 385 40 40 TRP CE3 C 120.010 0.300 1 386 40 40 TRP CZ2 C 114.188 0.300 1 387 40 40 TRP CZ3 C 120.588 0.300 1 388 40 40 TRP CH2 C 122.606 0.300 1 389 40 40 TRP N N 117.042 0.300 1 390 40 40 TRP NE1 N 125.041 0.300 1 391 41 41 THR H H 8.910 0.030 1 392 41 41 THR HA H 4.540 0.030 1 393 41 41 THR HB H 4.042 0.030 1 394 41 41 THR HG2 H 1.318 0.030 1 395 41 41 THR C C 174.340 0.300 1 396 41 41 THR CA C 61.420 0.300 1 397 41 41 THR CB C 70.498 0.300 1 398 41 41 THR CG2 C 21.613 0.300 1 399 41 41 THR N N 114.342 0.300 1 400 42 42 LYS H H 8.843 0.030 1 401 42 42 LYS HA H 4.696 0.030 1 402 42 42 LYS HB2 H 1.920 0.030 2 403 42 42 LYS HB3 H 1.786 0.030 2 404 42 42 LYS HG2 H 1.773 0.030 2 405 42 42 LYS HG3 H 1.692 0.030 2 406 42 42 LYS HD2 H 1.846 0.030 2 407 42 42 LYS HD3 H 1.673 0.030 2 408 42 42 LYS HE2 H 3.032 0.030 1 409 42 42 LYS HE3 H 3.032 0.030 1 410 42 42 LYS C C 174.736 0.300 1 411 42 42 LYS CA C 54.796 0.300 1 412 42 42 LYS CB C 33.360 0.300 1 413 42 42 LYS CG C 23.600 0.300 1 414 42 42 LYS CD C 29.952 0.300 1 415 42 42 LYS CE C 42.362 0.300 1 416 42 42 LYS N N 129.874 0.300 1 417 43 43 PRO HA H 4.806 0.030 1 418 43 43 PRO HB2 H 2.042 0.030 2 419 43 43 PRO HB3 H 1.905 0.030 2 420 43 43 PRO HG2 H 1.869 0.030 2 421 43 43 PRO HG3 H 1.788 0.030 2 422 43 43 PRO HD2 H 4.330 0.030 2 423 43 43 PRO HD3 H 3.826 0.030 2 424 43 43 PRO C C 176.428 0.300 1 425 43 43 PRO CA C 61.456 0.300 1 426 43 43 PRO CB C 33.440 0.300 1 427 43 43 PRO CG C 26.721 0.300 1 428 43 43 PRO CD C 51.107 0.300 1 429 44 44 PHE H H 8.522 0.030 1 430 44 44 PHE HA H 4.582 0.030 1 431 44 44 PHE HB2 H 3.260 0.030 2 432 44 44 PHE HB3 H 2.214 0.030 2 433 44 44 PHE HD1 H 6.586 0.030 1 434 44 44 PHE HD2 H 6.586 0.030 1 435 44 44 PHE HE1 H 7.256 0.030 1 436 44 44 PHE HE2 H 7.256 0.030 1 437 44 44 PHE HZ H 7.216 0.030 1 438 44 44 PHE C C 175.872 0.300 1 439 44 44 PHE CA C 58.297 0.300 1 440 44 44 PHE CB C 38.954 0.300 1 441 44 44 PHE CD1 C 131.504 0.300 1 442 44 44 PHE CD2 C 131.504 0.300 1 443 44 44 PHE CE1 C 131.498 0.300 1 444 44 44 PHE CE2 C 131.498 0.300 1 445 44 44 PHE CZ C 130.107 0.300 1 446 44 44 PHE N N 118.706 0.300 1 447 45 45 ASP H H 7.524 0.030 1 448 45 45 ASP HA H 3.893 0.030 1 449 45 45 ASP HB2 H 3.498 0.030 2 450 45 45 ASP HB3 H 2.223 0.030 2 451 45 45 ASP C C 174.985 0.300 1 452 45 45 ASP CA C 53.617 0.300 1 453 45 45 ASP CB C 41.051 0.300 1 454 45 45 ASP N N 126.975 0.300 1 455 46 46 GLY H H 4.665 0.030 1 456 46 46 GLY HA2 H 3.564 0.030 2 457 46 46 GLY HA3 H 2.732 0.030 2 458 46 46 GLY C C 173.760 0.300 1 459 46 46 GLY CA C 46.529 0.300 1 460 47 47 ASN H H 7.927 0.030 1 461 47 47 ASN HA H 4.016 0.030 1 462 47 47 ASN HB2 H 3.181 0.030 2 463 47 47 ASN HB3 H 2.861 0.030 2 464 47 47 ASN HD21 H 7.527 0.030 2 465 47 47 ASN HD22 H 7.319 0.030 2 466 47 47 ASN C C 173.535 0.300 1 467 47 47 ASN CA C 54.600 0.300 1 468 47 47 ASN CB C 37.145 0.300 1 469 47 47 ASN N N 108.899 0.300 1 470 47 47 ASN ND2 N 115.309 0.300 1 471 48 48 SER H H 6.803 0.030 1 472 48 48 SER HA H 4.762 0.030 1 473 48 48 SER HB2 H 3.772 0.030 2 474 48 48 SER HB3 H 3.374 0.030 2 475 48 48 SER C C 171.739 0.300 1 476 48 48 SER CA C 55.639 0.300 1 477 48 48 SER CB C 64.997 0.300 1 478 48 48 SER N N 113.948 0.300 1 479 49 49 PRO HA H 4.280 0.030 1 480 49 49 PRO HB2 H 2.234 0.030 2 481 49 49 PRO HB3 H 1.773 0.030 2 482 49 49 PRO HG2 H 1.993 0.030 2 483 49 49 PRO HG3 H 1.940 0.030 2 484 49 49 PRO HD2 H 3.693 0.030 2 485 49 49 PRO HD3 H 3.653 0.030 2 486 49 49 PRO C C 177.988 0.300 1 487 49 49 PRO CA C 62.951 0.300 1 488 49 49 PRO CB C 32.331 0.300 1 489 49 49 PRO CG C 27.604 0.300 1 490 49 49 PRO CD C 50.685 0.300 1 491 50 50 LEU H H 8.736 0.030 1 492 50 50 LEU HA H 4.115 0.030 1 493 50 50 LEU HB2 H 1.794 0.030 2 494 50 50 LEU HB3 H 0.916 0.030 2 495 50 50 LEU HG H 2.059 0.030 1 496 50 50 LEU HD1 H 0.721 0.030 1 497 50 50 LEU HD2 H 0.783 0.030 1 498 50 50 LEU C C 177.582 0.300 1 499 50 50 LEU CA C 55.875 0.300 1 500 50 50 LEU CB C 41.613 0.300 1 501 50 50 LEU CG C 26.510 0.300 1 502 50 50 LEU CD1 C 23.413 0.300 2 503 50 50 LEU CD2 C 26.147 0.300 2 504 50 50 LEU N N 118.813 0.300 1 505 51 51 ILE H H 9.367 0.030 1 506 51 51 ILE HA H 4.127 0.030 1 507 51 51 ILE HB H 1.458 0.030 1 508 51 51 ILE HG12 H 1.436 0.030 2 509 51 51 ILE HG13 H 0.890 0.030 2 510 51 51 ILE HG2 H 0.821 0.030 1 511 51 51 ILE HD1 H 0.665 0.030 1 512 51 51 ILE C C 175.608 0.300 1 513 51 51 ILE CA C 62.035 0.300 1 514 51 51 ILE CB C 40.348 0.300 1 515 51 51 ILE CG1 C 27.763 0.300 1 516 51 51 ILE CG2 C 17.286 0.300 1 517 51 51 ILE CD1 C 13.310 0.300 1 518 51 51 ILE N N 119.331 0.300 1 519 52 52 ARG H H 7.374 0.030 1 520 52 52 ARG HA H 4.781 0.030 1 521 52 52 ARG HB2 H 2.448 0.030 2 522 52 52 ARG HB3 H 1.844 0.030 2 523 52 52 ARG HG2 H 1.175 0.030 2 524 52 52 ARG HG3 H 0.970 0.030 2 525 52 52 ARG HD2 H 3.527 0.030 2 526 52 52 ARG HD3 H 3.178 0.030 2 527 52 52 ARG HE H 7.132 0.030 1 528 52 52 ARG C C 174.070 0.300 1 529 52 52 ARG CA C 55.526 0.300 1 530 52 52 ARG CB C 31.771 0.300 1 531 52 52 ARG CG C 25.412 0.300 1 532 52 52 ARG CD C 42.774 0.300 1 533 52 52 ARG N N 110.468 0.300 1 534 52 52 ARG NE N 83.456 0.300 1 535 53 53 TYR H H 8.391 0.030 1 536 53 53 TYR HA H 5.485 0.030 1 537 53 53 TYR HB2 H 2.688 0.030 2 538 53 53 TYR HB3 H 2.330 0.030 2 539 53 53 TYR HD1 H 6.778 0.030 1 540 53 53 TYR HD2 H 6.778 0.030 1 541 53 53 TYR HE1 H 6.852 0.030 1 542 53 53 TYR HE2 H 6.852 0.030 1 543 53 53 TYR C C 174.433 0.300 1 544 53 53 TYR CA C 56.820 0.300 1 545 53 53 TYR CB C 40.962 0.300 1 546 53 53 TYR CD1 C 133.674 0.300 1 547 53 53 TYR CD2 C 133.674 0.300 1 548 53 53 TYR CE1 C 117.775 0.300 1 549 53 53 TYR CE2 C 117.775 0.300 1 550 53 53 TYR N N 113.541 0.300 1 551 54 54 ILE H H 8.446 0.030 1 552 54 54 ILE HA H 4.402 0.030 1 553 54 54 ILE HB H 1.941 0.030 1 554 54 54 ILE HG12 H 1.253 0.030 2 555 54 54 ILE HG13 H 1.086 0.030 2 556 54 54 ILE HG2 H 1.023 0.030 1 557 54 54 ILE HD1 H 0.701 0.030 1 558 54 54 ILE C C 174.590 0.300 1 559 54 54 ILE CA C 61.061 0.300 1 560 54 54 ILE CB C 40.595 0.300 1 561 54 54 ILE CG1 C 27.071 0.300 1 562 54 54 ILE CG2 C 17.823 0.300 1 563 54 54 ILE CD1 C 14.529 0.300 1 564 54 54 ILE N N 118.766 0.300 1 565 55 55 LEU H H 8.922 0.030 1 566 55 55 LEU HA H 5.095 0.030 1 567 55 55 LEU HB2 H 2.049 0.030 2 568 55 55 LEU HB3 H 1.040 0.030 2 569 55 55 LEU HG H 1.605 0.030 1 570 55 55 LEU HD1 H 0.778 0.030 1 571 55 55 LEU HD2 H 0.931 0.030 1 572 55 55 LEU C C 175.641 0.300 1 573 55 55 LEU CA C 53.611 0.300 1 574 55 55 LEU CB C 46.280 0.300 1 575 55 55 LEU CG C 27.778 0.300 1 576 55 55 LEU CD1 C 27.518 0.300 2 577 55 55 LEU CD2 C 25.010 0.300 2 578 55 55 LEU N N 127.221 0.300 1 579 56 56 GLU H H 9.419 0.030 1 580 56 56 GLU HA H 5.350 0.030 1 581 56 56 GLU HB2 H 2.028 0.030 2 582 56 56 GLU HB3 H 1.554 0.030 2 583 56 56 GLU HG2 H 2.174 0.030 2 584 56 56 GLU HG3 H 1.932 0.030 2 585 56 56 GLU C C 174.933 0.300 1 586 56 56 GLU CA C 55.102 0.300 1 587 56 56 GLU CB C 34.703 0.300 1 588 56 56 GLU CG C 37.321 0.300 1 589 56 56 GLU N N 127.231 0.300 1 590 57 57 MET H H 9.404 0.030 1 591 57 57 MET HA H 5.494 0.030 1 592 57 57 MET HB2 H 2.074 0.030 2 593 57 57 MET HB3 H 1.876 0.030 2 594 57 57 MET HG2 H 2.241 0.030 2 595 57 57 MET HG3 H 2.172 0.030 2 596 57 57 MET HE H 2.108 0.030 1 597 57 57 MET C C 173.507 0.300 1 598 57 57 MET CA C 54.076 0.300 1 599 57 57 MET CB C 39.447 0.300 1 600 57 57 MET CG C 31.739 0.300 1 601 57 57 MET CE C 17.831 0.300 1 602 57 57 MET N N 118.328 0.300 1 603 58 58 SER H H 8.148 0.030 1 604 58 58 SER HA H 4.273 0.030 1 605 58 58 SER HB2 H 2.019 0.030 2 606 58 58 SER HB3 H 1.461 0.030 2 607 58 58 SER C C 174.632 0.300 1 608 58 58 SER CA C 55.934 0.300 1 609 58 58 SER CB C 62.170 0.300 1 610 58 58 SER N N 119.137 0.300 1 611 59 59 GLU H H 8.429 0.030 1 612 59 59 GLU HA H 4.498 0.030 1 613 59 59 GLU HB2 H 1.879 0.030 2 614 59 59 GLU HB3 H 1.838 0.030 2 615 59 59 GLU HG2 H 1.698 0.030 2 616 59 59 GLU HG3 H 1.586 0.030 2 617 59 59 GLU C C 176.031 0.300 1 618 59 59 GLU CA C 53.440 0.300 1 619 59 59 GLU CB C 32.106 0.300 1 620 59 59 GLU CG C 36.831 0.300 1 621 59 59 GLU N N 133.001 0.300 1 622 60 60 ASN H H 9.663 0.030 1 623 60 60 ASN HA H 4.070 0.030 1 624 60 60 ASN HB2 H 3.114 0.030 2 625 60 60 ASN HB3 H 2.542 0.030 2 626 60 60 ASN HD21 H 7.530 0.030 2 627 60 60 ASN HD22 H 6.853 0.030 2 628 60 60 ASN C C 174.327 0.300 1 629 60 60 ASN CA C 53.895 0.300 1 630 60 60 ASN CB C 36.748 0.300 1 631 60 60 ASN N N 129.213 0.300 1 632 60 60 ASN ND2 N 110.073 0.300 1 633 61 61 ASN H H 8.481 0.030 1 634 61 61 ASN HA H 3.894 0.030 1 635 61 61 ASN HB2 H 2.858 0.030 2 636 61 61 ASN HB3 H 2.744 0.030 2 637 61 61 ASN HD21 H 7.307 0.030 2 638 61 61 ASN HD22 H 6.592 0.030 2 639 61 61 ASN C C 173.774 0.300 1 640 61 61 ASN CA C 54.510 0.300 1 641 61 61 ASN CB C 37.290 0.300 1 642 61 61 ASN N N 109.142 0.300 1 643 61 61 ASN ND2 N 112.217 0.300 1 644 62 62 ALA H H 7.363 0.030 1 645 62 62 ALA HA H 4.361 0.030 1 646 62 62 ALA HB H 1.472 0.030 1 647 62 62 ALA C C 174.897 0.300 1 648 62 62 ALA CA C 51.201 0.300 1 649 62 62 ALA CB C 17.230 0.300 1 650 62 62 ALA N N 122.663 0.300 1 651 63 63 PRO HA H 4.085 0.030 1 652 63 63 PRO HB2 H 2.328 0.030 2 653 63 63 PRO HB3 H 1.706 0.030 2 654 63 63 PRO HG2 H 2.076 0.030 2 655 63 63 PRO HG3 H 1.928 0.030 2 656 63 63 PRO HD2 H 3.731 0.030 2 657 63 63 PRO HD3 H 3.522 0.030 2 658 63 63 PRO C C 176.066 0.300 1 659 63 63 PRO CA C 63.749 0.300 1 660 63 63 PRO CB C 31.939 0.300 1 661 63 63 PRO CG C 27.942 0.300 1 662 63 63 PRO CD C 50.497 0.300 1 663 64 64 TRP H H 7.290 0.030 1 664 64 64 TRP HA H 4.217 0.030 1 665 64 64 TRP HB2 H 3.037 0.030 2 666 64 64 TRP HB3 H 2.632 0.030 2 667 64 64 TRP HD1 H 7.215 0.030 1 668 64 64 TRP HE1 H 9.905 0.030 1 669 64 64 TRP HE3 H 6.962 0.030 1 670 64 64 TRP HZ2 H 7.324 0.030 1 671 64 64 TRP HH2 H 6.488 0.030 1 672 64 64 TRP C C 177.333 0.300 1 673 64 64 TRP CA C 57.808 0.300 1 674 64 64 TRP CB C 30.134 0.300 1 675 64 64 TRP CD1 C 127.460 0.300 1 676 64 64 TRP CE3 C 119.410 0.300 1 677 64 64 TRP CZ2 C 114.850 0.300 1 678 64 64 TRP CZ3 C 121.644 0.300 1 679 64 64 TRP CH2 C 122.421 0.300 1 680 64 64 TRP N N 123.356 0.300 1 681 64 64 TRP NE1 N 129.025 0.300 1 682 65 65 THR H H 9.095 0.030 1 683 65 65 THR HA H 4.818 0.030 1 684 65 65 THR HB H 4.070 0.030 1 685 65 65 THR HG2 H 1.232 0.030 1 686 65 65 THR C C 173.538 0.300 1 687 65 65 THR CA C 59.910 0.300 1 688 65 65 THR CB C 71.826 0.300 1 689 65 65 THR CG2 C 20.619 0.300 1 690 65 65 THR N N 117.018 0.300 1 691 66 66 VAL H H 8.730 0.030 1 692 66 66 VAL HA H 3.867 0.030 1 693 66 66 VAL HB H 2.088 0.030 1 694 66 66 VAL HG1 H 1.117 0.030 1 695 66 66 VAL HG2 H 0.840 0.030 1 696 66 66 VAL C C 175.078 0.300 1 697 66 66 VAL CA C 65.399 0.300 1 698 66 66 VAL CB C 31.828 0.300 1 699 66 66 VAL CG1 C 22.682 0.300 2 700 66 66 VAL CG2 C 20.970 0.300 2 701 66 66 VAL N N 125.230 0.300 1 702 67 67 LEU H H 9.260 0.030 1 703 67 67 LEU HA H 4.768 0.030 1 704 67 67 LEU HB2 H 1.681 0.030 2 705 67 67 LEU HB3 H 1.528 0.030 2 706 67 67 LEU HG H 1.630 0.030 1 707 67 67 LEU HD1 H 1.186 0.030 1 708 67 67 LEU HD2 H 1.118 0.030 1 709 67 67 LEU C C 176.065 0.300 1 710 67 67 LEU CA C 55.910 0.300 1 711 67 67 LEU CB C 44.928 0.300 1 712 67 67 LEU CG C 27.728 0.300 1 713 67 67 LEU CD1 C 27.000 0.300 2 714 67 67 LEU CD2 C 22.678 0.300 2 715 67 67 LEU N N 131.736 0.300 1 716 68 68 LEU H H 7.571 0.030 1 717 68 68 LEU HA H 4.872 0.030 1 718 68 68 LEU HB2 H 1.712 0.030 2 719 68 68 LEU HB3 H 1.521 0.030 2 720 68 68 LEU HG H 1.538 0.030 1 721 68 68 LEU HD1 H 0.967 0.030 1 722 68 68 LEU HD2 H 1.042 0.030 1 723 68 68 LEU C C 174.685 0.300 1 724 68 68 LEU CA C 53.624 0.300 1 725 68 68 LEU CB C 44.575 0.300 1 726 68 68 LEU CG C 26.941 0.300 1 727 68 68 LEU CD1 C 26.170 0.300 2 728 68 68 LEU CD2 C 23.275 0.300 2 729 68 68 LEU N N 116.379 0.300 1 730 69 69 ALA H H 8.697 0.030 1 731 69 69 ALA HA H 4.255 0.030 1 732 69 69 ALA HB H 1.399 0.030 1 733 69 69 ALA C C 176.397 0.300 1 734 69 69 ALA CA C 52.971 0.300 1 735 69 69 ALA CB C 19.406 0.300 1 736 69 69 ALA N N 125.191 0.300 1 737 70 70 SER H H 8.008 0.030 1 738 70 70 SER HA H 4.670 0.030 1 739 70 70 SER HB2 H 3.866 0.030 2 740 70 70 SER HB3 H 3.577 0.030 2 741 70 70 SER C C 173.825 0.300 1 742 70 70 SER CA C 56.650 0.300 1 743 70 70 SER CB C 62.889 0.300 1 744 70 70 SER N N 110.233 0.300 1 745 71 71 VAL H H 8.692 0.030 1 746 71 71 VAL HA H 4.065 0.030 1 747 71 71 VAL HB H 2.028 0.030 1 748 71 71 VAL HG1 H 0.880 0.030 1 749 71 71 VAL HG2 H 1.188 0.030 1 750 71 71 VAL C C 175.643 0.300 1 751 71 71 VAL CA C 62.578 0.300 1 752 71 71 VAL CB C 33.046 0.300 1 753 71 71 VAL CG1 C 22.906 0.300 2 754 71 71 VAL CG2 C 20.661 0.300 2 755 71 71 VAL N N 127.453 0.300 1 756 72 72 ASP H H 8.520 0.030 1 757 72 72 ASP HA H 4.666 0.030 1 758 72 72 ASP HB2 H 2.897 0.030 1 759 72 72 ASP HB3 H 2.897 0.030 1 760 72 72 ASP C C 175.602 0.300 1 761 72 72 ASP CA C 52.493 0.300 1 762 72 72 ASP CB C 43.249 0.300 1 763 72 72 ASP N N 128.086 0.300 1 764 73 73 PRO HA H 4.441 0.030 1 765 73 73 PRO HB2 H 1.830 0.030 2 766 73 73 PRO HB3 H 1.332 0.030 2 767 73 73 PRO HG2 H 1.893 0.030 2 768 73 73 PRO HG3 H 1.839 0.030 2 769 73 73 PRO HD2 H 4.164 0.030 2 770 73 73 PRO HD3 H 3.785 0.030 2 771 73 73 PRO C C 178.789 0.300 1 772 73 73 PRO CA C 63.774 0.300 1 773 73 73 PRO CB C 32.897 0.300 1 774 73 73 PRO CG C 27.507 0.300 1 775 73 73 PRO CD C 50.678 0.300 1 776 74 74 LYS H H 9.153 0.030 1 777 74 74 LYS HA H 4.381 0.030 1 778 74 74 LYS HB2 H 1.978 0.030 2 779 74 74 LYS HB3 H 1.917 0.030 2 780 74 74 LYS HG2 H 1.488 0.030 1 781 74 74 LYS HG3 H 1.488 0.030 1 782 74 74 LYS HD2 H 1.754 0.030 1 783 74 74 LYS HD3 H 1.754 0.030 1 784 74 74 LYS HE2 H 3.051 0.030 1 785 74 74 LYS HE3 H 3.051 0.030 1 786 74 74 LYS C C 176.780 0.300 1 787 74 74 LYS CA C 56.555 0.300 1 788 74 74 LYS CB C 32.025 0.300 1 789 74 74 LYS CG C 25.403 0.300 1 790 74 74 LYS CD C 28.866 0.300 1 791 74 74 LYS CE C 41.794 0.300 1 792 74 74 LYS N N 122.884 0.300 1 793 75 75 ALA H H 8.182 0.030 1 794 75 75 ALA HA H 4.396 0.030 1 795 75 75 ALA HB H 1.771 0.030 1 796 75 75 ALA C C 178.298 0.300 1 797 75 75 ALA CA C 52.911 0.300 1 798 75 75 ALA CB C 20.517 0.300 1 799 75 75 ALA N N 123.907 0.300 1 800 76 76 THR H H 8.368 0.030 1 801 76 76 THR HA H 2.847 0.030 1 802 76 76 THR HB H 4.453 0.030 1 803 76 76 THR HG2 H 0.921 0.030 1 804 76 76 THR C C 171.264 0.300 1 805 76 76 THR CA C 59.832 0.300 1 806 76 76 THR CB C 68.440 0.300 1 807 76 76 THR CG2 C 22.264 0.300 1 808 76 76 THR N N 109.337 0.300 1 809 77 77 SER H H 6.649 0.030 1 810 77 77 SER HA H 4.819 0.030 1 811 77 77 SER HB2 H 3.696 0.030 2 812 77 77 SER HB3 H 3.628 0.030 2 813 77 77 SER C C 173.294 0.300 1 814 77 77 SER CA C 56.596 0.300 1 815 77 77 SER CB C 65.619 0.300 1 816 77 77 SER N N 113.140 0.300 1 817 78 78 VAL H H 8.631 0.030 1 818 78 78 VAL HA H 4.456 0.030 1 819 78 78 VAL HB H 2.301 0.030 1 820 78 78 VAL HG1 H 1.046 0.030 1 821 78 78 VAL HG2 H 0.921 0.030 1 822 78 78 VAL C C 172.607 0.300 1 823 78 78 VAL CA C 61.721 0.300 1 824 78 78 VAL CB C 35.510 0.300 1 825 78 78 VAL CG1 C 21.550 0.300 2 826 78 78 VAL CG2 C 20.910 0.300 2 827 78 78 VAL N N 117.612 0.300 1 828 79 79 THR H H 8.487 0.030 1 829 79 79 THR HA H 5.091 0.030 1 830 79 79 THR HB H 3.844 0.030 1 831 79 79 THR HG2 H 1.045 0.030 1 832 79 79 THR C C 173.494 0.300 1 833 79 79 THR CA C 62.119 0.300 1 834 79 79 THR CB C 70.264 0.300 1 835 79 79 THR CG2 C 22.000 0.300 1 836 79 79 THR N N 122.654 0.300 1 837 80 80 VAL H H 9.280 0.030 1 838 80 80 VAL HA H 4.129 0.030 1 839 80 80 VAL HB H 1.876 0.030 1 840 80 80 VAL HG1 H 0.891 0.030 1 841 80 80 VAL HG2 H 0.588 0.030 1 842 80 80 VAL C C 174.342 0.300 1 843 80 80 VAL CA C 61.606 0.300 1 844 80 80 VAL CB C 32.631 0.300 1 845 80 80 VAL CG1 C 22.748 0.300 2 846 80 80 VAL CG2 C 20.364 0.300 2 847 80 80 VAL N N 128.067 0.300 1 848 81 81 LYS H H 8.442 0.030 1 849 81 81 LYS HA H 4.828 0.030 1 850 81 81 LYS HB2 H 1.863 0.030 2 851 81 81 LYS HB3 H 1.665 0.030 2 852 81 81 LYS HG2 H 1.261 0.030 1 853 81 81 LYS HG3 H 1.261 0.030 1 854 81 81 LYS HD2 H 1.646 0.030 1 855 81 81 LYS HD3 H 1.646 0.030 1 856 81 81 LYS HE2 H 2.908 0.030 2 857 81 81 LYS HE3 H 2.850 0.030 2 858 81 81 LYS C C 176.505 0.300 1 859 81 81 LYS CA C 55.130 0.300 1 860 81 81 LYS CB C 35.420 0.300 1 861 81 81 LYS CG C 25.711 0.300 1 862 81 81 LYS CD C 29.497 0.300 1 863 81 81 LYS CE C 41.978 0.300 1 864 81 81 LYS N N 124.734 0.300 1 865 82 82 GLY H H 8.626 0.030 1 866 82 82 GLY HA2 H 3.936 0.030 2 867 82 82 GLY HA3 H 3.727 0.030 2 868 82 82 GLY C C 175.315 0.300 1 869 82 82 GLY CA C 46.509 0.300 1 870 82 82 GLY N N 106.948 0.300 1 871 83 83 LEU H H 7.823 0.030 1 872 83 83 LEU HA H 4.249 0.030 1 873 83 83 LEU HB2 H 1.252 0.030 2 874 83 83 LEU HB3 H 1.098 0.030 2 875 83 83 LEU HG H 1.201 0.030 1 876 83 83 LEU HD1 H 0.195 0.030 1 877 83 83 LEU HD2 H 0.367 0.030 1 878 83 83 LEU C C 175.226 0.300 1 879 83 83 LEU CA C 54.141 0.300 1 880 83 83 LEU CB C 40.793 0.300 1 881 83 83 LEU CG C 26.839 0.300 1 882 83 83 LEU CD1 C 25.496 0.300 2 883 83 83 LEU CD2 C 20.603 0.300 2 884 83 83 LEU N N 119.817 0.300 1 885 84 84 VAL H H 8.026 0.030 1 886 84 84 VAL HA H 4.365 0.030 1 887 84 84 VAL HB H 1.926 0.030 1 888 84 84 VAL HG1 H 0.981 0.030 1 889 84 84 VAL HG2 H 1.028 0.030 1 890 84 84 VAL C C 173.972 0.300 1 891 84 84 VAL CA C 60.807 0.300 1 892 84 84 VAL CB C 33.646 0.300 1 893 84 84 VAL CG1 C 21.790 0.300 2 894 84 84 VAL CG2 C 20.717 0.300 2 895 84 84 VAL N N 120.412 0.300 1 896 85 85 PRO HA H 4.151 0.030 1 897 85 85 PRO HB2 H 2.425 0.030 2 898 85 85 PRO HB3 H 1.881 0.030 2 899 85 85 PRO HG2 H 1.851 0.030 2 900 85 85 PRO HG3 H 2.108 0.030 2 901 85 85 PRO HD2 H 3.955 0.030 2 902 85 85 PRO HD3 H 3.682 0.030 2 903 85 85 PRO C C 175.656 0.300 1 904 85 85 PRO CA C 63.818 0.300 1 905 85 85 PRO CB C 32.682 0.300 1 906 85 85 PRO CG C 27.772 0.300 1 907 85 85 PRO CD C 51.570 0.300 1 908 86 86 ALA H H 7.798 0.030 1 909 86 86 ALA HA H 4.039 0.030 1 910 86 86 ALA HB H 1.525 0.030 1 911 86 86 ALA C C 176.750 0.300 1 912 86 86 ALA CA C 53.742 0.300 1 913 86 86 ALA CB C 17.894 0.300 1 914 86 86 ALA N N 118.753 0.300 1 915 87 87 ARG H H 7.675 0.030 1 916 87 87 ARG HA H 4.600 0.030 1 917 87 87 ARG HB2 H 1.982 0.030 2 918 87 87 ARG HB3 H 1.190 0.030 2 919 87 87 ARG HG2 H 1.546 0.030 2 920 87 87 ARG HG3 H 1.465 0.030 2 921 87 87 ARG HD2 H 2.956 0.030 2 922 87 87 ARG HD3 H 2.863 0.030 2 923 87 87 ARG C C 173.936 0.300 1 924 87 87 ARG CA C 55.579 0.300 1 925 87 87 ARG CB C 31.512 0.300 1 926 87 87 ARG CG C 27.886 0.300 1 927 87 87 ARG CD C 43.720 0.300 1 928 87 87 ARG N N 117.935 0.300 1 929 88 88 SER H H 8.037 0.030 1 930 88 88 SER HA H 5.209 0.030 1 931 88 88 SER HB2 H 3.552 0.030 1 932 88 88 SER HB3 H 3.552 0.030 1 933 88 88 SER C C 173.409 0.300 1 934 88 88 SER CA C 56.491 0.300 1 935 88 88 SER CB C 65.260 0.300 1 936 88 88 SER N N 114.033 0.300 1 937 89 89 TYR H H 8.861 0.030 1 938 89 89 TYR HA H 5.029 0.030 1 939 89 89 TYR HB2 H 2.396 0.030 1 940 89 89 TYR HB3 H 2.396 0.030 1 941 89 89 TYR HD1 H 6.865 0.030 1 942 89 89 TYR HD2 H 6.865 0.030 1 943 89 89 TYR HE1 H 6.857 0.030 1 944 89 89 TYR HE2 H 6.857 0.030 1 945 89 89 TYR C C 176.082 0.300 1 946 89 89 TYR CA C 58.552 0.300 1 947 89 89 TYR CB C 44.472 0.300 1 948 89 89 TYR CD1 C 132.951 0.300 1 949 89 89 TYR CD2 C 132.951 0.300 1 950 89 89 TYR CE1 C 119.758 0.300 1 951 89 89 TYR CE2 C 119.758 0.300 1 952 89 89 TYR N N 120.197 0.300 1 953 90 90 GLN H H 8.017 0.030 1 954 90 90 GLN HA H 4.394 0.030 1 955 90 90 GLN HB2 H 2.143 0.030 2 956 90 90 GLN HB3 H 1.652 0.030 2 957 90 90 GLN HG2 H 2.386 0.030 2 958 90 90 GLN HG3 H 2.024 0.030 2 959 90 90 GLN HE21 H 8.131 0.030 2 960 90 90 GLN HE22 H 7.058 0.030 2 961 90 90 GLN C C 172.509 0.300 1 962 90 90 GLN CA C 55.123 0.300 1 963 90 90 GLN CB C 36.320 0.300 1 964 90 90 GLN CG C 36.141 0.300 1 965 90 90 GLN N N 119.236 0.300 1 966 90 90 GLN NE2 N 112.882 0.300 1 967 91 91 PHE H H 8.670 0.030 1 968 91 91 PHE HA H 5.916 0.030 1 969 91 91 PHE HB2 H 3.197 0.030 2 970 91 91 PHE HB3 H 2.795 0.030 2 971 91 91 PHE HD1 H 7.294 0.030 1 972 91 91 PHE HD2 H 7.294 0.030 1 973 91 91 PHE HE1 H 7.089 0.030 1 974 91 91 PHE HE2 H 7.089 0.030 1 975 91 91 PHE HZ H 6.761 0.030 1 976 91 91 PHE C C 173.726 0.300 1 977 91 91 PHE CA C 57.372 0.300 1 978 91 91 PHE CB C 43.564 0.300 1 979 91 91 PHE CD1 C 132.287 0.300 1 980 91 91 PHE CD2 C 132.287 0.300 1 981 91 91 PHE CE1 C 130.730 0.300 1 982 91 91 PHE CE2 C 130.730 0.300 1 983 91 91 PHE CZ C 128.420 0.300 1 984 91 91 PHE N N 117.630 0.300 1 985 92 92 ARG H H 8.532 0.030 1 986 92 92 ARG HA H 4.419 0.030 1 987 92 92 ARG HB2 H 1.556 0.030 2 988 92 92 ARG HB3 H 1.411 0.030 2 989 92 92 ARG HG2 H 0.446 0.030 2 990 92 92 ARG HG3 H 0.400 0.030 2 991 92 92 ARG HD2 H 1.631 0.030 2 992 92 92 ARG HD3 H 0.922 0.030 2 993 92 92 ARG HE H 5.172 0.030 1 994 92 92 ARG C C 172.835 0.300 1 995 92 92 ARG CA C 56.098 0.300 1 996 92 92 ARG CB C 31.991 0.300 1 997 92 92 ARG CG C 24.653 0.300 1 998 92 92 ARG CD C 42.728 0.300 1 999 92 92 ARG N N 114.101 0.300 1 1000 92 92 ARG NE N 84.147 0.300 1 1001 93 93 LEU H H 8.602 0.030 1 1002 93 93 LEU HA H 5.929 0.030 1 1003 93 93 LEU HB2 H 1.227 0.030 2 1004 93 93 LEU HB3 H 1.099 0.030 2 1005 93 93 LEU HG H 1.040 0.030 1 1006 93 93 LEU HD1 H -0.598 0.030 1 1007 93 93 LEU HD2 H -0.315 0.030 1 1008 93 93 LEU C C 175.356 0.300 1 1009 93 93 LEU CA C 54.634 0.300 1 1010 93 93 LEU CB C 47.492 0.300 1 1011 93 93 LEU CG C 26.721 0.300 1 1012 93 93 LEU CD1 C 24.818 0.300 2 1013 93 93 LEU CD2 C 24.038 0.300 2 1014 93 93 LEU N N 119.584 0.300 1 1015 94 94 CYS H H 8.832 0.030 1 1016 94 94 CYS HA H 4.822 0.030 1 1017 94 94 CYS HB2 H 2.342 0.030 2 1018 94 94 CYS HB3 H 0.975 0.030 2 1019 94 94 CYS C C 170.912 0.300 1 1020 94 94 CYS CA C 54.711 0.300 1 1021 94 94 CYS CB C 30.808 0.300 1 1022 94 94 CYS N N 118.366 0.300 1 1023 95 95 ALA H H 9.662 0.030 1 1024 95 95 ALA HA H 4.824 0.030 1 1025 95 95 ALA HB H 1.243 0.030 1 1026 95 95 ALA C C 174.774 0.300 1 1027 95 95 ALA CA C 50.172 0.300 1 1028 95 95 ALA CB C 23.126 0.300 1 1029 95 95 ALA N N 124.463 0.300 1 1030 96 96 VAL H H 7.985 0.030 1 1031 96 96 VAL HA H 4.635 0.030 1 1032 96 96 VAL HB H 1.738 0.030 1 1033 96 96 VAL HG1 H 0.827 0.030 1 1034 96 96 VAL HG2 H 0.701 0.030 1 1035 96 96 VAL C C 175.722 0.300 1 1036 96 96 VAL CA C 60.869 0.300 1 1037 96 96 VAL CB C 35.193 0.300 1 1038 96 96 VAL CG1 C 20.980 0.300 2 1039 96 96 VAL CG2 C 21.779 0.300 2 1040 96 96 VAL N N 118.040 0.300 1 1041 97 97 ASN H H 8.697 0.030 1 1042 97 97 ASN HA H 4.825 0.030 1 1043 97 97 ASN HB2 H 3.189 0.030 2 1044 97 97 ASN HB3 H 2.491 0.030 2 1045 97 97 ASN HD21 H 7.852 0.030 2 1046 97 97 ASN HD22 H 7.567 0.030 2 1047 97 97 ASN C C 174.960 0.300 1 1048 97 97 ASN CA C 51.663 0.300 1 1049 97 97 ASN CB C 41.513 0.300 1 1050 97 97 ASN N N 127.646 0.300 1 1051 97 97 ASN ND2 N 113.996 0.300 1 1052 98 98 ASP H H 8.785 0.030 1 1053 98 98 ASP HA H 4.185 0.030 1 1054 98 98 ASP HB2 H 2.544 0.030 2 1055 98 98 ASP HB3 H 2.507 0.030 2 1056 98 98 ASP C C 176.737 0.300 1 1057 98 98 ASP CA C 56.866 0.300 1 1058 98 98 ASP CB C 40.820 0.300 1 1059 98 98 ASP N N 116.254 0.300 1 1060 99 99 VAL H H 7.729 0.030 1 1061 99 99 VAL HA H 3.622 0.030 1 1062 99 99 VAL HB H 2.127 0.030 1 1063 99 99 VAL HG1 H 0.782 0.030 1 1064 99 99 VAL HG2 H 0.607 0.030 1 1065 99 99 VAL C C 176.832 0.300 1 1066 99 99 VAL CA C 64.481 0.300 1 1067 99 99 VAL CB C 31.345 0.300 1 1068 99 99 VAL CG1 C 21.705 0.300 2 1069 99 99 VAL CG2 C 21.973 0.300 2 1070 99 99 VAL N N 120.155 0.300 1 1071 100 100 GLY H H 7.653 0.030 1 1072 100 100 GLY HA2 H 4.184 0.030 2 1073 100 100 GLY HA3 H 3.684 0.030 2 1074 100 100 GLY C C 170.601 0.300 1 1075 100 100 GLY CA C 45.266 0.300 1 1076 100 100 GLY N N 107.065 0.300 1 1077 101 101 LYS H H 8.084 0.030 1 1078 101 101 LYS HA H 4.460 0.030 1 1079 101 101 LYS HB2 H 1.699 0.030 2 1080 101 101 LYS HB3 H 1.667 0.030 2 1081 101 101 LYS HG2 H 1.368 0.030 2 1082 101 101 LYS HG3 H 1.315 0.030 2 1083 101 101 LYS HD2 H 1.559 0.030 1 1084 101 101 LYS HD3 H 1.559 0.030 1 1085 101 101 LYS HE2 H 2.861 0.030 1 1086 101 101 LYS HE3 H 2.861 0.030 1 1087 101 101 LYS C C 176.618 0.300 1 1088 101 101 LYS CA C 55.554 0.300 1 1089 101 101 LYS CB C 34.193 0.300 1 1090 101 101 LYS CG C 24.637 0.300 1 1091 101 101 LYS CD C 30.135 0.300 1 1092 101 101 LYS CE C 41.968 0.300 1 1093 101 101 LYS N N 120.155 0.300 1 1094 102 102 GLY H H 8.720 0.030 1 1095 102 102 GLY HA2 H 4.127 0.030 2 1096 102 102 GLY HA3 H 4.001 0.030 2 1097 102 102 GLY C C 172.546 0.300 1 1098 102 102 GLY CA C 44.186 0.300 1 1099 102 102 GLY N N 112.094 0.300 1 1100 103 103 GLN H H 8.084 0.030 1 1101 103 103 GLN HA H 4.013 0.030 1 1102 103 103 GLN HB2 H 2.027 0.030 2 1103 103 103 GLN HB3 H 1.825 0.030 2 1104 103 103 GLN HG2 H 2.514 0.030 1 1105 103 103 GLN HG3 H 2.514 0.030 1 1106 103 103 GLN HE21 H 7.616 0.030 2 1107 103 103 GLN HE22 H 6.873 0.030 2 1108 103 103 GLN C C 177.482 0.300 1 1109 103 103 GLN CA C 55.621 0.300 1 1110 103 103 GLN CB C 30.262 0.300 1 1111 103 103 GLN CG C 33.979 0.300 1 1112 103 103 GLN N N 114.932 0.300 1 1113 103 103 GLN NE2 N 113.233 0.300 1 1114 104 104 PHE H H 8.496 0.030 1 1115 104 104 PHE HA H 4.172 0.030 1 1116 104 104 PHE HB2 H 2.956 0.030 2 1117 104 104 PHE HB3 H 2.664 0.030 2 1118 104 104 PHE HD1 H 6.833 0.030 1 1119 104 104 PHE HD2 H 6.833 0.030 1 1120 104 104 PHE HE1 H 7.024 0.030 1 1121 104 104 PHE HE2 H 7.024 0.030 1 1122 104 104 PHE HZ H 7.088 0.030 1 1123 104 104 PHE C C 177.502 0.300 1 1124 104 104 PHE CA C 60.331 0.300 1 1125 104 104 PHE CB C 40.600 0.300 1 1126 104 104 PHE CD1 C 131.000 0.300 1 1127 104 104 PHE CD2 C 131.000 0.300 1 1128 104 104 PHE CE1 C 131.013 0.300 1 1129 104 104 PHE CE2 C 131.013 0.300 1 1130 104 104 PHE CZ C 130.737 0.300 1 1131 104 104 PHE N N 118.836 0.300 1 1132 105 105 SER H H 9.067 0.030 1 1133 105 105 SER HA H 4.307 0.030 1 1134 105 105 SER HB2 H 4.215 0.030 2 1135 105 105 SER HB3 H 3.925 0.030 2 1136 105 105 SER C C 172.834 0.300 1 1137 105 105 SER CA C 58.116 0.300 1 1138 105 105 SER CB C 67.013 0.300 1 1139 105 105 SER N N 113.830 0.300 1 1140 106 106 LYS H H 8.319 0.030 1 1141 106 106 LYS HA H 4.235 0.030 1 1142 106 106 LYS HB2 H 1.933 0.030 2 1143 106 106 LYS HB3 H 1.774 0.030 2 1144 106 106 LYS HG2 H 1.639 0.030 2 1145 106 106 LYS HG3 H 1.565 0.030 2 1146 106 106 LYS HD2 H 1.819 0.030 1 1147 106 106 LYS HD3 H 1.819 0.030 1 1148 106 106 LYS HE2 H 3.119 0.030 1 1149 106 106 LYS HE3 H 3.119 0.030 1 1150 106 106 LYS C C 175.290 0.300 1 1151 106 106 LYS CA C 56.873 0.300 1 1152 106 106 LYS CB C 33.100 0.300 1 1153 106 106 LYS CG C 24.704 0.300 1 1154 106 106 LYS CD C 29.121 0.300 1 1155 106 106 LYS CE C 42.200 0.300 1 1156 106 106 LYS N N 117.680 0.300 1 1157 107 107 ASP H H 8.397 0.030 1 1158 107 107 ASP HA H 4.984 0.030 1 1159 107 107 ASP HB2 H 2.775 0.030 2 1160 107 107 ASP HB3 H 2.600 0.030 2 1161 107 107 ASP C C 178.781 0.300 1 1162 107 107 ASP CA C 53.481 0.300 1 1163 107 107 ASP CB C 41.350 0.300 1 1164 107 107 ASP N N 120.667 0.300 1 1165 108 108 THR H H 9.116 0.030 1 1166 108 108 THR HA H 4.349 0.030 1 1167 108 108 THR HB H 4.860 0.030 1 1168 108 108 THR HG2 H 1.308 0.030 1 1169 108 108 THR C C 174.899 0.300 1 1170 108 108 THR CA C 62.015 0.300 1 1171 108 108 THR CB C 70.315 0.300 1 1172 108 108 THR CG2 C 22.685 0.300 1 1173 108 108 THR N N 112.291 0.300 1 1174 109 109 GLU H H 8.455 0.030 1 1175 109 109 GLU HA H 4.361 0.030 1 1176 109 109 GLU HB2 H 2.197 0.030 2 1177 109 109 GLU HB3 H 2.139 0.030 2 1178 109 109 GLU HG2 H 2.527 0.030 2 1179 109 109 GLU HG3 H 2.470 0.030 2 1180 109 109 GLU C C 177.724 0.300 1 1181 109 109 GLU CA C 56.894 0.300 1 1182 109 109 GLU CB C 29.854 0.300 1 1183 109 109 GLU CG C 36.661 0.300 1 1184 109 109 GLU N N 120.105 0.300 1 1185 110 110 ARG H H 8.920 0.030 1 1186 110 110 ARG HA H 4.187 0.030 1 1187 110 110 ARG HB2 H 1.665 0.030 2 1188 110 110 ARG HB3 H 1.620 0.030 2 1189 110 110 ARG HG2 H 1.543 0.030 2 1190 110 110 ARG HG3 H 1.395 0.030 2 1191 110 110 ARG HD2 H 3.082 0.030 1 1192 110 110 ARG HD3 H 3.082 0.030 1 1193 110 110 ARG C C 175.762 0.300 1 1194 110 110 ARG CA C 57.469 0.300 1 1195 110 110 ARG CB C 30.819 0.300 1 1196 110 110 ARG CG C 27.936 0.300 1 1197 110 110 ARG CD C 43.294 0.300 1 1198 110 110 ARG N N 124.841 0.300 1 1199 111 111 VAL H H 8.388 0.030 1 1200 111 111 VAL HA H 4.527 0.030 1 1201 111 111 VAL HB H 2.059 0.030 1 1202 111 111 VAL HG1 H 0.982 0.030 1 1203 111 111 VAL HG2 H 1.045 0.030 1 1204 111 111 VAL C C 174.623 0.300 1 1205 111 111 VAL CA C 60.856 0.300 1 1206 111 111 VAL CB C 35.709 0.300 1 1207 111 111 VAL CG1 C 22.060 0.300 2 1208 111 111 VAL CG2 C 21.452 0.300 2 1209 111 111 VAL N N 123.215 0.300 1 1210 112 112 SER H H 8.627 0.030 1 1211 112 112 SER HA H 5.205 0.030 1 1212 112 112 SER HB2 H 3.662 0.030 2 1213 112 112 SER HB3 H 3.581 0.030 2 1214 112 112 SER C C 173.647 0.300 1 1215 112 112 SER CA C 56.848 0.300 1 1216 112 112 SER CB C 64.465 0.300 1 1217 112 112 SER N N 120.826 0.300 1 1218 113 113 LEU H H 8.699 0.030 1 1219 113 113 LEU HA H 4.685 0.030 1 1220 113 113 LEU HB2 H 1.903 0.030 2 1221 113 113 LEU HB3 H 1.791 0.030 2 1222 113 113 LEU HG H 1.759 0.030 1 1223 113 113 LEU HD1 H 0.738 0.030 1 1224 113 113 LEU HD2 H 0.812 0.030 1 1225 113 113 LEU C C 175.867 0.300 1 1226 113 113 LEU CA C 53.054 0.300 1 1227 113 113 LEU CB C 42.590 0.300 1 1228 113 113 LEU CG C 29.292 0.300 1 1229 113 113 LEU CD1 C 25.914 0.300 2 1230 113 113 LEU CD2 C 25.374 0.300 2 1231 113 113 LEU N N 127.414 0.300 1 1232 114 114 PRO HA H 4.527 0.030 1 1233 114 114 PRO HB2 H 2.363 0.030 2 1234 114 114 PRO HB3 H 2.026 0.030 2 1235 114 114 PRO HG2 H 2.087 0.030 2 1236 114 114 PRO HG3 H 2.053 0.030 2 1237 114 114 PRO HD2 H 4.019 0.030 2 1238 114 114 PRO HD3 H 3.776 0.030 2 1239 114 114 PRO C C 176.658 0.300 1 1240 114 114 PRO CA C 62.586 0.300 1 1241 114 114 PRO CB C 32.567 0.300 1 1242 114 114 PRO CG C 27.160 0.300 1 1243 114 114 PRO CD C 51.067 0.300 1 1244 115 115 GLU H H 8.660 0.030 1 1245 115 115 GLU HA H 4.216 0.030 1 1246 115 115 GLU HB2 H 2.085 0.030 2 1247 115 115 GLU HB3 H 1.978 0.030 2 1248 115 115 GLU HG2 H 2.294 0.030 1 1249 115 115 GLU HG3 H 2.294 0.030 1 1250 115 115 GLU C C 176.358 0.300 1 1251 115 115 GLU CA C 56.992 0.300 1 1252 115 115 GLU CB C 30.511 0.300 1 1253 115 115 GLU CG C 36.402 0.300 1 1254 115 115 GLU N N 120.024 0.300 1 1255 116 116 SER H H 8.468 0.030 1 1256 116 116 SER HA H 4.510 0.030 1 1257 116 116 SER HB2 H 3.860 0.030 2 1258 116 116 SER HB3 H 3.852 0.030 2 1259 116 116 SER C C 174.505 0.300 1 1260 116 116 SER CA C 58.285 0.300 1 1261 116 116 SER CB C 64.238 0.300 1 1262 116 116 SER N N 116.676 0.300 1 1263 117 117 GLY H H 8.346 0.030 1 1264 117 117 GLY HA2 H 4.195 0.030 2 1265 117 117 GLY HA3 H 4.109 0.030 2 1266 117 117 GLY C C 171.871 0.300 1 1267 117 117 GLY CA C 44.764 0.300 1 1268 117 117 GLY N N 110.716 0.300 1 1269 118 118 PRO HA H 4.472 0.030 1 1270 118 118 PRO HB2 H 2.304 0.030 2 1271 118 118 PRO HB3 H 1.981 0.030 2 1272 118 118 PRO HG2 H 2.023 0.030 1 1273 118 118 PRO HG3 H 2.023 0.030 1 1274 118 118 PRO HD2 H 3.637 0.030 1 1275 118 118 PRO HD3 H 3.637 0.030 1 1276 118 118 PRO C C 177.432 0.300 1 1277 118 118 PRO CA C 63.410 0.300 1 1278 118 118 PRO CB C 32.236 0.300 1 1279 118 118 PRO CG C 27.210 0.300 1 1280 118 118 PRO CD C 49.800 0.300 1 1281 119 119 SER H H 8.539 0.030 1 1282 119 119 SER HA H 4.472 0.030 1 1283 119 119 SER HB2 H 3.931 0.030 1 1284 119 119 SER HB3 H 3.931 0.030 1 1285 119 119 SER C C 174.622 0.300 1 1286 119 119 SER CA C 58.713 0.300 1 1287 119 119 SER CB C 63.787 0.300 1 1288 119 119 SER N N 116.079 0.300 1 1289 120 120 SER H H 8.283 0.030 1 1290 120 120 SER HA H 4.495 0.030 1 1291 120 120 SER HB2 H 3.906 0.030 1 1292 120 120 SER HB3 H 3.906 0.030 1 1293 120 120 SER C C 173.931 0.300 1 1294 120 120 SER CA C 58.498 0.300 1 1295 120 120 SER CB C 64.098 0.300 1 1296 120 120 SER N N 117.597 0.300 1 1297 121 121 GLY H H 8.050 0.030 1 1298 121 121 GLY HA2 H 3.805 0.030 2 1299 121 121 GLY HA3 H 3.749 0.030 2 1300 121 121 GLY C C 178.995 0.300 1 1301 121 121 GLY CA C 46.258 0.300 1 1302 121 121 GLY N N 116.773 0.300 1 stop_ save_