data_11127 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 2nd fibronectin type III domain from mouse biregional cell adhesion molecule-related/down-regulated oncogenes (Cdon) binding protein ; _BMRB_accession_number 11127 _BMRB_flat_file_name bmr11127.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _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 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 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" 506 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the 2nd fibronectin type III domain from mouse biregional cell adhesion molecule-related/down-regulated oncogenes (Cdon) binding 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 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ; biregional cell adhesion molecule-related/down-regulated oncogenes (Cdon)binding protein ; _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'fibronectin type III (fn3) domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'fibronectin type III (fn3) domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; GSSGSSGSQPDHGRLSPPEA PDRPTISTASETSVYVTWIP RGNGGFPIQSFRVEYKKLKK VGDWILATSAIPPSRLSVEI TGLEKGISYKFRVRALNMLG ESEPSAPSRPYVVSGSGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 GLN 10 PRO 11 ASP 12 HIS 13 GLY 14 ARG 15 LEU 16 SER 17 PRO 18 PRO 19 GLU 20 ALA 21 PRO 22 ASP 23 ARG 24 PRO 25 THR 26 ILE 27 SER 28 THR 29 ALA 30 SER 31 GLU 32 THR 33 SER 34 VAL 35 TYR 36 VAL 37 THR 38 TRP 39 ILE 40 PRO 41 ARG 42 GLY 43 ASN 44 GLY 45 GLY 46 PHE 47 PRO 48 ILE 49 GLN 50 SER 51 PHE 52 ARG 53 VAL 54 GLU 55 TYR 56 LYS 57 LYS 58 LEU 59 LYS 60 LYS 61 VAL 62 GLY 63 ASP 64 TRP 65 ILE 66 LEU 67 ALA 68 THR 69 SER 70 ALA 71 ILE 72 PRO 73 PRO 74 SER 75 ARG 76 LEU 77 SER 78 VAL 79 GLU 80 ILE 81 THR 82 GLY 83 LEU 84 GLU 85 LYS 86 GLY 87 ILE 88 SER 89 TYR 90 LYS 91 PHE 92 ARG 93 VAL 94 ARG 95 ALA 96 LEU 97 ASN 98 MET 99 LEU 100 GLY 101 GLU 102 SER 103 GLU 104 PRO 105 SER 106 ALA 107 PRO 108 SER 109 ARG 110 PRO 111 TYR 112 VAL 113 VAL 114 SER 115 GLY 116 SER 117 GLY 118 PRO 119 SER 120 SER 121 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 1X4Z "Solution Structure Of The 2nd Fibronectin Type Iii Domain From Mouse Biregional Cell Adhesion Molecule-RelatedDOWN- Regulated O" 100.00 121 100.00 100.00 4.57e-78 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 'house mouse' 10090 Eukaryotase Metazoaouse Mus musculususe stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' . Escherichia coli . P040719-11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.43mM fn3 domain {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.43 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _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_Kujira _Saveframe_category software _Name Kujira _Version 0.9295 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'fibronectin type III (fn3) domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.756 0.030 1 2 1 1 GLY HA3 H 3.756 0.030 1 3 1 1 GLY CA C 41.383 0.300 1 4 6 6 SER HA H 4.401 0.030 1 5 6 6 SER HB2 H 3.798 0.030 1 6 6 6 SER HB3 H 3.798 0.030 1 7 6 6 SER C C 172.718 0.300 1 8 6 6 SER CA C 56.261 0.300 1 9 6 6 SER CB C 61.363 0.300 1 10 7 7 GLY H H 8.310 0.030 1 11 7 7 GLY HA2 H 3.782 0.030 1 12 7 7 GLY HA3 H 3.782 0.030 1 13 7 7 GLY C C 171.786 0.300 1 14 7 7 GLY CA C 43.118 0.300 1 15 7 7 GLY N N 109.157 0.300 1 16 8 8 SER H H 8.101 0.030 1 17 8 8 SER HA H 4.353 0.030 1 18 8 8 SER HB2 H 3.727 0.030 1 19 8 8 SER HB3 H 3.727 0.030 1 20 8 8 SER C C 171.858 0.300 1 21 8 8 SER CA C 55.810 0.300 1 22 8 8 SER CB C 61.445 0.300 1 23 8 8 SER N N 115.207 0.300 1 24 9 9 GLN H H 8.294 0.030 1 25 9 9 GLN HA H 4.537 0.030 1 26 9 9 GLN HB2 H 1.801 0.030 2 27 9 9 GLN HB3 H 1.994 0.030 2 28 9 9 GLN HE21 H 7.434 0.030 2 29 9 9 GLN HE22 H 6.755 0.030 2 30 9 9 GLN HG2 H 2.273 0.030 1 31 9 9 GLN HG3 H 2.273 0.030 1 32 9 9 GLN C C 171.719 0.300 1 33 9 9 GLN CA C 51.280 0.300 1 34 9 9 GLN CB C 26.575 0.300 1 35 9 9 GLN CG C 31.012 0.300 1 36 9 9 GLN N N 122.426 0.300 1 37 9 9 GLN NE2 N 112.295 0.300 1 38 10 10 PRO HA H 4.260 0.030 1 39 10 10 PRO HB2 H 2.110 0.030 2 40 10 10 PRO HB3 H 1.631 0.030 2 41 10 10 PRO HD2 H 3.537 0.030 2 42 10 10 PRO HD3 H 3.658 0.030 2 43 10 10 PRO HG2 H 1.861 0.030 1 44 10 10 PRO HG3 H 1.861 0.030 1 45 10 10 PRO C C 171.109 0.300 1 46 10 10 PRO CA C 60.897 0.300 1 47 10 10 PRO CB C 29.772 0.300 1 48 10 10 PRO CD C 48.289 0.300 1 49 10 10 PRO CG C 25.076 0.300 1 50 11 11 ASP H H 8.309 0.030 1 51 11 11 ASP HA H 4.417 0.030 1 52 11 11 ASP HB2 H 2.491 0.030 2 53 11 11 ASP HB3 H 2.546 0.030 2 54 11 11 ASP C C 171.364 0.300 1 55 11 11 ASP CA C 51.762 0.300 1 56 11 11 ASP CB C 38.666 0.300 1 57 11 11 ASP N N 119.862 0.300 1 58 12 12 HIS H H 8.049 0.030 1 59 12 12 HIS HA H 4.463 0.030 1 60 12 12 HIS HB2 H 2.988 0.030 2 61 12 12 HIS HB3 H 3.091 0.030 2 62 12 12 HIS HD2 H 6.941 0.030 1 63 12 12 HIS HE1 H 7.805 0.030 1 64 12 12 HIS C C 173.152 0.300 1 65 12 12 HIS CA C 54.082 0.300 1 66 12 12 HIS CB C 28.061 0.300 1 67 12 12 HIS CD2 C 117.692 0.300 1 68 12 12 HIS CE1 C 135.924 0.300 1 69 12 12 HIS N N 119.546 0.300 1 70 13 13 GLY HA2 H 3.785 0.030 1 71 13 13 GLY HA3 H 3.785 0.030 1 72 13 13 GLY C C 171.558 0.300 1 73 13 13 GLY CA C 43.155 0.300 1 74 14 14 ARG H H 8.037 0.030 1 75 14 14 ARG HA H 4.215 0.030 1 76 14 14 ARG HB2 H 1.624 0.030 2 77 14 14 ARG HB3 H 1.706 0.030 2 78 14 14 ARG HD2 H 3.077 0.030 1 79 14 14 ARG HD3 H 3.077 0.030 1 80 14 14 ARG HG2 H 1.437 0.030 2 81 14 14 ARG HG3 H 1.496 0.030 2 82 14 14 ARG C C 173.394 0.300 1 83 14 14 ARG CA C 53.715 0.300 1 84 14 14 ARG CB C 28.539 0.300 1 85 14 14 ARG CD C 40.989 0.300 1 86 14 14 ARG CG C 24.762 0.300 1 87 14 14 ARG N N 120.478 0.300 1 88 15 15 LEU H H 8.047 0.030 1 89 15 15 LEU HA H 4.718 0.030 1 90 15 15 LEU HB2 H 1.654 0.030 2 91 15 15 LEU HB3 H 1.322 0.030 2 92 15 15 LEU HD1 H 0.735 0.030 1 93 15 15 LEU HD2 H 0.573 0.030 1 94 15 15 LEU HG H 1.523 0.030 1 95 15 15 LEU C C 174.091 0.300 1 96 15 15 LEU CA C 51.960 0.300 1 97 15 15 LEU CB C 39.911 0.300 1 98 15 15 LEU CD1 C 23.111 0.300 2 99 15 15 LEU CD2 C 20.627 0.300 2 100 15 15 LEU CG C 24.490 0.300 1 101 15 15 LEU N N 124.408 0.300 1 102 16 16 SER H H 9.249 0.030 1 103 16 16 SER HA H 4.845 0.030 1 104 16 16 SER HB2 H 3.958 0.030 2 105 16 16 SER HB3 H 3.568 0.030 2 106 16 16 SER C C 168.976 0.300 1 107 16 16 SER CA C 55.219 0.300 1 108 16 16 SER CB C 63.204 0.300 1 109 16 16 SER N N 120.014 0.300 1 110 17 17 PRO HA H 4.830 0.030 1 111 17 17 PRO HB2 H 1.753 0.030 2 112 17 17 PRO HB3 H 1.295 0.030 2 113 17 17 PRO HD2 H 3.461 0.030 2 114 17 17 PRO HD3 H 3.600 0.030 2 115 17 17 PRO HG2 H 1.888 0.030 2 116 17 17 PRO HG3 H 1.364 0.030 2 117 17 17 PRO CA C 59.724 0.300 1 118 17 17 PRO CB C 27.807 0.300 1 119 17 17 PRO CD C 48.447 0.300 1 120 17 17 PRO CG C 25.831 0.300 1 121 18 18 PRO HA H 3.795 0.030 1 122 18 18 PRO HB2 H 1.673 0.030 2 123 18 18 PRO HB3 H 2.320 0.030 2 124 18 18 PRO HD2 H 3.020 0.030 2 125 18 18 PRO HD3 H 3.608 0.030 2 126 18 18 PRO HG2 H 1.359 0.030 2 127 18 18 PRO HG3 H 1.581 0.030 2 128 18 18 PRO C C 172.740 0.300 1 129 18 18 PRO CA C 59.418 0.300 1 130 18 18 PRO CB C 30.020 0.300 1 131 18 18 PRO CD C 47.989 0.300 1 132 18 18 PRO CG C 26.429 0.300 1 133 19 19 GLU H H 7.468 0.030 1 134 19 19 GLU HA H 3.951 0.030 1 135 19 19 GLU HB2 H 1.882 0.030 1 136 19 19 GLU HB3 H 1.882 0.030 1 137 19 19 GLU HG2 H 2.240 0.030 1 138 19 19 GLU HG3 H 2.240 0.030 1 139 19 19 GLU C C 174.422 0.300 1 140 19 19 GLU CA C 53.484 0.300 1 141 19 19 GLU CB C 28.786 0.300 1 142 19 19 GLU CG C 34.504 0.300 1 143 19 19 GLU N N 117.558 0.300 1 144 20 20 ALA H H 8.487 0.030 1 145 20 20 ALA HA H 4.354 0.030 1 146 20 20 ALA HB H 0.964 0.030 1 147 20 20 ALA C C 174.220 0.300 1 148 20 20 ALA CA C 48.796 0.300 1 149 20 20 ALA CB C 16.207 0.300 1 150 20 20 ALA N N 126.010 0.300 1 151 21 21 PRO HA H 4.371 0.030 1 152 21 21 PRO HB2 H 1.629 0.030 2 153 21 21 PRO HB3 H 2.214 0.030 2 154 21 21 PRO HD2 H 3.320 0.030 2 155 21 21 PRO HD3 H 4.107 0.030 2 156 21 21 PRO HG2 H 1.434 0.030 2 157 21 21 PRO HG3 H 1.760 0.030 2 158 21 21 PRO C C 174.160 0.300 1 159 21 21 PRO CA C 59.504 0.300 1 160 21 21 PRO CB C 30.358 0.300 1 161 21 21 PRO CD C 47.741 0.300 1 162 21 21 PRO CG C 25.728 0.300 1 163 22 22 ASP H H 7.949 0.030 1 164 22 22 ASP HA H 4.320 0.030 1 165 22 22 ASP HB2 H 2.794 0.030 2 166 22 22 ASP HB3 H 2.545 0.030 2 167 22 22 ASP C C 173.939 0.300 1 168 22 22 ASP CA C 51.762 0.300 1 169 22 22 ASP CB C 40.132 0.300 1 170 22 22 ASP N N 117.397 0.300 1 171 23 23 ARG H H 7.652 0.030 1 172 23 23 ARG HA H 4.335 0.030 1 173 23 23 ARG HB2 H 1.640 0.030 2 174 23 23 ARG HB3 H 1.707 0.030 2 175 23 23 ARG HD2 H 3.237 0.030 2 176 23 23 ARG HD3 H 3.119 0.030 2 177 23 23 ARG HG2 H 1.491 0.030 2 178 23 23 ARG HG3 H 1.434 0.030 2 179 23 23 ARG C C 173.759 0.300 1 180 23 23 ARG CA C 51.526 0.300 1 181 23 23 ARG CB C 29.528 0.300 1 182 23 23 ARG CD C 41.910 0.300 1 183 23 23 ARG CG C 23.469 0.300 1 184 23 23 ARG N N 118.628 0.300 1 185 24 24 PRO HA H 5.166 0.030 1 186 24 24 PRO HB2 H 1.829 0.030 2 187 24 24 PRO HB3 H 2.067 0.030 2 188 24 24 PRO HD2 H 3.961 0.030 2 189 24 24 PRO HD3 H 4.008 0.030 2 190 24 24 PRO HG2 H 1.593 0.030 2 191 24 24 PRO HG3 H 1.854 0.030 2 192 24 24 PRO C C 173.860 0.300 1 193 24 24 PRO CA C 60.255 0.300 1 194 24 24 PRO CB C 31.525 0.300 1 195 24 24 PRO CD C 48.517 0.300 1 196 24 24 PRO CG C 25.571 0.300 1 197 25 25 THR H H 9.143 0.030 1 198 25 25 THR HA H 4.407 0.030 1 199 25 25 THR HB H 3.996 0.030 1 200 25 25 THR HG2 H 1.122 0.030 1 201 25 25 THR C C 171.171 0.300 1 202 25 25 THR CA C 58.674 0.300 1 203 25 25 THR CB C 68.027 0.300 1 204 25 25 THR CG2 C 19.869 0.300 1 205 25 25 THR N N 112.818 0.300 1 206 26 26 ILE H H 8.794 0.030 1 207 26 26 ILE HA H 4.923 0.030 1 208 26 26 ILE HB H 2.100 0.030 1 209 26 26 ILE HD1 H 0.433 0.030 1 210 26 26 ILE HG12 H 1.419 0.030 2 211 26 26 ILE HG13 H 1.669 0.030 2 212 26 26 ILE HG2 H 0.127 0.030 1 213 26 26 ILE C C 173.508 0.300 1 214 26 26 ILE CA C 55.591 0.300 1 215 26 26 ILE CB C 34.787 0.300 1 216 26 26 ILE CD1 C 9.422 0.300 1 217 26 26 ILE CG1 C 24.863 0.300 1 218 26 26 ILE CG2 C 16.014 0.300 1 219 26 26 ILE N N 125.499 0.300 1 220 27 27 SER H H 8.619 0.030 1 221 27 27 SER HA H 4.889 0.030 1 222 27 27 SER HB2 H 3.804 0.030 2 223 27 27 SER HB3 H 3.830 0.030 2 224 27 27 SER C C 170.905 0.300 1 225 27 27 SER CA C 53.863 0.300 1 226 27 27 SER CB C 63.642 0.300 1 227 27 27 SER N N 119.776 0.300 1 228 28 28 THR H H 8.938 0.030 1 229 28 28 THR HA H 3.836 0.030 1 230 28 28 THR HB H 3.947 0.030 1 231 28 28 THR HG2 H 1.158 0.030 1 232 28 28 THR C C 170.600 0.300 1 233 28 28 THR CA C 63.346 0.300 1 234 28 28 THR CB C 67.649 0.300 1 235 28 28 THR CG2 C 20.085 0.300 1 236 28 28 THR N N 120.378 0.300 1 237 29 29 ALA H H 7.886 0.030 1 238 29 29 ALA HA H 4.283 0.030 1 239 29 29 ALA HB H 0.187 0.030 1 240 29 29 ALA C C 173.652 0.300 1 241 29 29 ALA CA C 50.545 0.300 1 242 29 29 ALA CB C 16.191 0.300 1 243 29 29 ALA N N 129.557 0.300 1 244 30 30 SER H H 7.955 0.030 1 245 30 30 SER HA H 4.506 0.030 1 246 30 30 SER HB2 H 3.884 0.030 2 247 30 30 SER HB3 H 3.972 0.030 2 248 30 30 SER C C 171.098 0.300 1 249 30 30 SER CA C 55.802 0.300 1 250 30 30 SER CB C 62.352 0.300 1 251 30 30 SER N N 114.527 0.300 1 252 31 31 GLU H H 8.880 0.030 1 253 31 31 GLU HA H 4.009 0.030 1 254 31 31 GLU HB2 H 2.014 0.030 1 255 31 31 GLU HB3 H 2.014 0.030 1 256 31 31 GLU HG2 H 2.303 0.030 1 257 31 31 GLU HG3 H 2.303 0.030 1 258 31 31 GLU C C 174.876 0.300 1 259 31 31 GLU CA C 57.508 0.300 1 260 31 31 GLU CB C 27.715 0.300 1 261 31 31 GLU CG C 34.454 0.300 1 262 31 31 GLU N N 116.816 0.300 1 263 32 32 THR H H 7.526 0.030 1 264 32 32 THR HA H 4.360 0.030 1 265 32 32 THR HB H 4.819 0.030 1 266 32 32 THR HG2 H 0.976 0.030 1 267 32 32 THR C C 169.740 0.300 1 268 32 32 THR CA C 57.318 0.300 1 269 32 32 THR CB C 67.149 0.300 1 270 32 32 THR CG2 C 19.410 0.300 1 271 32 32 THR N N 102.283 0.300 1 272 33 33 SER H H 7.313 0.030 1 273 33 33 SER HA H 5.273 0.030 1 274 33 33 SER HB2 H 3.623 0.030 2 275 33 33 SER HB3 H 3.786 0.030 2 276 33 33 SER C C 171.451 0.300 1 277 33 33 SER CA C 54.299 0.300 1 278 33 33 SER CB C 65.696 0.300 1 279 33 33 SER N N 113.242 0.300 1 280 34 34 VAL H H 7.981 0.030 1 281 34 34 VAL HA H 4.586 0.030 1 282 34 34 VAL HB H 1.513 0.030 1 283 34 34 VAL HG1 H -0.172 0.030 1 284 34 34 VAL HG2 H -0.094 0.030 1 285 34 34 VAL C C 172.141 0.300 1 286 34 34 VAL CA C 56.190 0.300 1 287 34 34 VAL CB C 33.006 0.300 1 288 34 34 VAL CG1 C 19.663 0.300 2 289 34 34 VAL CG2 C 15.684 0.300 2 290 34 34 VAL N N 111.393 0.300 1 291 35 35 TYR H H 8.744 0.030 1 292 35 35 TYR HA H 5.149 0.030 1 293 35 35 TYR HB2 H 2.608 0.030 2 294 35 35 TYR HB3 H 2.416 0.030 2 295 35 35 TYR HD1 H 6.624 0.030 1 296 35 35 TYR HD2 H 6.624 0.030 1 297 35 35 TYR HE1 H 6.613 0.030 1 298 35 35 TYR HE2 H 6.613 0.030 1 299 35 35 TYR C C 172.901 0.300 1 300 35 35 TYR CA C 54.463 0.300 1 301 35 35 TYR CB C 36.372 0.300 1 302 35 35 TYR CD1 C 130.163 0.300 1 303 35 35 TYR CD2 C 130.163 0.300 1 304 35 35 TYR CE1 C 115.967 0.300 1 305 35 35 TYR CE2 C 115.967 0.300 1 306 35 35 TYR N N 117.647 0.300 1 307 36 36 VAL H H 8.892 0.030 1 308 36 36 VAL HA H 4.290 0.030 1 309 36 36 VAL HB H 1.900 0.030 1 310 36 36 VAL HG1 H 0.754 0.030 1 311 36 36 VAL HG2 H 0.201 0.030 1 312 36 36 VAL C C 172.005 0.300 1 313 36 36 VAL CA C 58.697 0.300 1 314 36 36 VAL CB C 31.014 0.300 1 315 36 36 VAL CG1 C 19.136 0.300 2 316 36 36 VAL CG2 C 19.580 0.300 2 317 36 36 VAL N N 124.524 0.300 1 318 37 37 THR H H 8.489 0.030 1 319 37 37 THR HA H 5.051 0.030 1 320 37 37 THR HB H 3.662 0.030 1 321 37 37 THR HG2 H 0.876 0.030 1 322 37 37 THR C C 170.503 0.300 1 323 37 37 THR CA C 58.454 0.300 1 324 37 37 THR CB C 68.908 0.300 1 325 37 37 THR CG2 C 18.672 0.300 1 326 37 37 THR N N 120.779 0.300 1 327 38 38 TRP H H 7.673 0.030 1 328 38 38 TRP HA H 5.207 0.030 1 329 38 38 TRP HB2 H 2.947 0.030 2 330 38 38 TRP HB3 H 2.799 0.030 2 331 38 38 TRP HD1 H 5.863 0.030 1 332 38 38 TRP HE1 H 5.407 0.030 1 333 38 38 TRP HE3 H 6.726 0.030 1 334 38 38 TRP HH2 H 6.594 0.030 1 335 38 38 TRP HZ2 H 6.837 0.030 1 336 38 38 TRP HZ3 H 6.631 0.030 1 337 38 38 TRP C C 170.358 0.300 1 338 38 38 TRP CA C 54.151 0.300 1 339 38 38 TRP CB C 29.537 0.300 1 340 38 38 TRP CD1 C 119.936 0.300 1 341 38 38 TRP CE3 C 118.203 0.300 1 342 38 38 TRP CH2 C 121.130 0.300 1 343 38 38 TRP CZ2 C 112.031 0.300 1 344 38 38 TRP CZ3 C 119.714 0.300 1 345 38 38 TRP N N 122.660 0.300 1 346 38 38 TRP NE1 N 122.580 0.300 1 347 39 39 ILE H H 6.910 0.030 1 348 39 39 ILE HA H 4.556 0.030 1 349 39 39 ILE HB H 1.724 0.030 1 350 39 39 ILE HD1 H 0.743 0.030 1 351 39 39 ILE HG12 H 1.374 0.030 2 352 39 39 ILE HG13 H 0.912 0.030 2 353 39 39 ILE HG2 H 0.888 0.030 1 354 39 39 ILE C C 172.229 0.300 1 355 39 39 ILE CA C 55.122 0.300 1 356 39 39 ILE CB C 38.414 0.300 1 357 39 39 ILE CD1 C 10.600 0.300 1 358 39 39 ILE CG1 C 24.831 0.300 1 359 39 39 ILE CG2 C 14.599 0.300 1 360 39 39 ILE N N 116.924 0.300 1 361 40 40 PRO HA H 4.408 0.030 1 362 40 40 PRO HB2 H 2.327 0.030 2 363 40 40 PRO HB3 H 2.272 0.030 2 364 40 40 PRO HD2 H 3.832 0.030 2 365 40 40 PRO HD3 H 3.691 0.030 2 366 40 40 PRO HG2 H 2.136 0.030 2 367 40 40 PRO HG3 H 2.241 0.030 2 368 40 40 PRO C C 173.231 0.300 1 369 40 40 PRO CA C 60.278 0.300 1 370 40 40 PRO CB C 30.266 0.300 1 371 40 40 PRO CD C 48.789 0.300 1 372 40 40 PRO CG C 25.079 0.300 1 373 41 41 ARG H H 8.477 0.030 1 374 41 41 ARG HA H 4.526 0.030 1 375 41 41 ARG HB2 H 1.520 0.030 2 376 41 41 ARG HB3 H 1.944 0.030 2 377 41 41 ARG HD2 H 3.153 0.030 2 378 41 41 ARG HD3 H 3.216 0.030 2 379 41 41 ARG HE H 7.285 0.030 1 380 41 41 ARG HG2 H 1.694 0.030 2 381 41 41 ARG HG3 H 1.498 0.030 2 382 41 41 ARG C C 173.199 0.300 1 383 41 41 ARG CA C 52.257 0.300 1 384 41 41 ARG CB C 27.321 0.300 1 385 41 41 ARG CD C 40.893 0.300 1 386 41 41 ARG CG C 25.500 0.300 1 387 41 41 ARG N N 121.634 0.300 1 388 41 41 ARG NE N 84.476 0.300 1 389 42 42 GLY H H 8.680 0.030 1 390 42 42 GLY HA2 H 3.726 0.030 2 391 42 42 GLY HA3 H 3.934 0.030 2 392 42 42 GLY C C 172.712 0.300 1 393 42 42 GLY CA C 43.615 0.300 1 394 42 42 GLY N N 110.616 0.300 1 395 43 43 ASN H H 8.489 0.030 1 396 43 43 ASN HA H 4.466 0.030 1 397 43 43 ASN HB2 H 3.994 0.030 2 398 43 43 ASN HB3 H 2.737 0.030 2 399 43 43 ASN HD21 H 7.326 0.030 2 400 43 43 ASN HD22 H 6.740 0.030 2 401 43 43 ASN C C 172.657 0.300 1 402 43 43 ASN CA C 50.550 0.300 1 403 43 43 ASN CB C 36.561 0.300 1 404 43 43 ASN N N 118.320 0.300 1 405 43 43 ASN ND2 N 110.196 0.300 1 406 44 44 GLY H H 8.490 0.030 1 407 44 44 GLY HA2 H 4.148 0.030 2 408 44 44 GLY HA3 H 3.363 0.030 2 409 44 44 GLY C C 171.556 0.300 1 410 44 44 GLY CA C 43.598 0.300 1 411 44 44 GLY N N 107.085 0.300 1 412 45 45 GLY H H 8.302 0.030 1 413 45 45 GLY HA2 H 3.202 0.030 2 414 45 45 GLY HA3 H 4.296 0.030 2 415 45 45 GLY C C 170.967 0.300 1 416 45 45 GLY CA C 42.010 0.300 1 417 45 45 GLY N N 103.999 0.300 1 418 46 46 PHE H H 7.045 0.030 1 419 46 46 PHE HA H 4.830 0.030 1 420 46 46 PHE HB2 H 3.436 0.030 2 421 46 46 PHE HB3 H 2.408 0.030 2 422 46 46 PHE HD1 H 7.032 0.030 1 423 46 46 PHE HD2 H 7.032 0.030 1 424 46 46 PHE HE1 H 7.177 0.030 1 425 46 46 PHE HE2 H 7.177 0.030 1 426 46 46 PHE HZ H 7.137 0.030 1 427 46 46 PHE C C 169.632 0.300 1 428 46 46 PHE CA C 52.991 0.300 1 429 46 46 PHE CB C 39.400 0.300 1 430 46 46 PHE CD1 C 129.061 0.300 1 431 46 46 PHE CD2 C 129.061 0.300 1 432 46 46 PHE CE1 C 129.318 0.300 1 433 46 46 PHE CE2 C 129.318 0.300 1 434 46 46 PHE CZ C 127.507 0.300 1 435 46 46 PHE N N 118.325 0.300 1 436 47 47 PRO HA H 4.187 0.030 1 437 47 47 PRO HB2 H 2.204 0.030 2 438 47 47 PRO HB3 H 1.709 0.030 2 439 47 47 PRO HD2 H 3.616 0.030 2 440 47 47 PRO HD3 H 3.731 0.030 2 441 47 47 PRO HG2 H 1.980 0.030 2 442 47 47 PRO HG3 H 1.917 0.030 2 443 47 47 PRO C C 175.044 0.300 1 444 47 47 PRO CA C 60.385 0.300 1 445 47 47 PRO CB C 29.890 0.300 1 446 47 47 PRO CD C 47.901 0.300 1 447 47 47 PRO CG C 25.416 0.300 1 448 48 48 ILE H H 8.419 0.030 1 449 48 48 ILE HA H 3.717 0.030 1 450 48 48 ILE HB H 1.642 0.030 1 451 48 48 ILE HD1 H 0.945 0.030 1 452 48 48 ILE HG12 H 0.843 0.030 2 453 48 48 ILE HG13 H 1.807 0.030 2 454 48 48 ILE HG2 H 0.363 0.030 1 455 48 48 ILE C C 174.432 0.300 1 456 48 48 ILE CA C 61.140 0.300 1 457 48 48 ILE CB C 35.692 0.300 1 458 48 48 ILE CD1 C 10.747 0.300 1 459 48 48 ILE CG1 C 27.544 0.300 1 460 48 48 ILE CG2 C 15.124 0.300 1 461 48 48 ILE N N 122.170 0.300 1 462 49 49 GLN H H 9.418 0.030 1 463 49 49 GLN HA H 4.227 0.030 1 464 49 49 GLN HB2 H 1.914 0.030 2 465 49 49 GLN HB3 H 1.619 0.030 2 466 49 49 GLN HE21 H 7.097 0.030 2 467 49 49 GLN HE22 H 6.672 0.030 2 468 49 49 GLN HG2 H 2.199 0.030 2 469 49 49 GLN HG3 H 2.375 0.030 2 470 49 49 GLN C C 173.284 0.300 1 471 49 49 GLN CA C 53.928 0.300 1 472 49 49 GLN CB C 29.291 0.300 1 473 49 49 GLN CG C 32.237 0.300 1 474 49 49 GLN N N 125.544 0.300 1 475 49 49 GLN NE2 N 110.772 0.300 1 476 50 50 SER H H 7.271 0.030 1 477 50 50 SER HA H 4.625 0.030 1 478 50 50 SER HB2 H 3.623 0.030 2 479 50 50 SER HB3 H 4.065 0.030 2 480 50 50 SER C C 169.294 0.300 1 481 50 50 SER CA C 55.626 0.300 1 482 50 50 SER CB C 62.133 0.300 1 483 50 50 SER N N 108.316 0.300 1 484 51 51 PHE H H 8.647 0.030 1 485 51 51 PHE HA H 5.458 0.030 1 486 51 51 PHE HB2 H 2.621 0.030 2 487 51 51 PHE HB3 H 2.544 0.030 2 488 51 51 PHE HD1 H 7.289 0.030 1 489 51 51 PHE HD2 H 7.289 0.030 1 490 51 51 PHE HE1 H 7.400 0.030 1 491 51 51 PHE HE2 H 7.400 0.030 1 492 51 51 PHE HZ H 7.469 0.030 1 493 51 51 PHE C C 172.120 0.300 1 494 51 51 PHE CA C 53.906 0.300 1 495 51 51 PHE CB C 41.236 0.300 1 496 51 51 PHE CE1 C 127.250 0.300 1 497 51 51 PHE CE2 C 127.250 0.300 1 498 51 51 PHE N N 113.081 0.300 1 499 52 52 ARG H H 8.307 0.030 1 500 52 52 ARG HA H 4.788 0.030 1 501 52 52 ARG HB2 H 1.582 0.030 2 502 52 52 ARG HB3 H 1.388 0.030 2 503 52 52 ARG HD2 H 3.001 0.030 2 504 52 52 ARG HD3 H 2.961 0.030 2 505 52 52 ARG HG2 H 1.366 0.030 2 506 52 52 ARG HG3 H 1.440 0.030 2 507 52 52 ARG C C 171.951 0.300 1 508 52 52 ARG CA C 52.453 0.300 1 509 52 52 ARG CB C 32.494 0.300 1 510 52 52 ARG CD C 41.672 0.300 1 511 52 52 ARG CG C 24.841 0.300 1 512 52 52 ARG N N 115.701 0.300 1 513 53 53 VAL H H 8.367 0.030 1 514 53 53 VAL HA H 4.649 0.030 1 515 53 53 VAL HB H 1.720 0.030 1 516 53 53 VAL HG1 H 1.008 0.030 1 517 53 53 VAL HG2 H 0.456 0.030 1 518 53 53 VAL C C 172.121 0.300 1 519 53 53 VAL CA C 58.728 0.300 1 520 53 53 VAL CB C 32.109 0.300 1 521 53 53 VAL CG1 C 19.907 0.300 2 522 53 53 VAL CG2 C 20.008 0.300 2 523 53 53 VAL N N 121.094 0.300 1 524 54 54 GLU H H 8.930 0.030 1 525 54 54 GLU HA H 5.432 0.030 1 526 54 54 GLU HB2 H 1.711 0.030 2 527 54 54 GLU HB3 H 2.065 0.030 2 528 54 54 GLU HG2 H 1.884 0.030 2 529 54 54 GLU HG3 H 1.973 0.030 2 530 54 54 GLU C C 172.864 0.300 1 531 54 54 GLU CA C 51.527 0.300 1 532 54 54 GLU CB C 32.754 0.300 1 533 54 54 GLU CG C 33.991 0.300 1 534 54 54 GLU N N 125.623 0.300 1 535 55 55 TYR H H 9.629 0.030 1 536 55 55 TYR HA H 5.895 0.030 1 537 55 55 TYR HB2 H 2.494 0.030 2 538 55 55 TYR HB3 H 2.710 0.030 2 539 55 55 TYR HD1 H 6.745 0.030 1 540 55 55 TYR HD2 H 6.745 0.030 1 541 55 55 TYR HE1 H 6.587 0.030 1 542 55 55 TYR HE2 H 6.587 0.030 1 543 55 55 TYR C C 170.174 0.300 1 544 55 55 TYR CA C 52.751 0.300 1 545 55 55 TYR CB C 40.871 0.300 1 546 55 55 TYR CD1 C 130.303 0.300 1 547 55 55 TYR CD2 C 130.303 0.300 1 548 55 55 TYR CE1 C 115.712 0.300 1 549 55 55 TYR CE2 C 115.712 0.300 1 550 55 55 TYR N N 117.804 0.300 1 551 56 56 LYS H H 8.144 0.030 1 552 56 56 LYS HA H 4.050 0.030 1 553 56 56 LYS HB2 H 0.060 0.030 2 554 56 56 LYS HB3 H -0.410 0.030 2 555 56 56 LYS HD2 H 0.407 0.030 2 556 56 56 LYS HD3 H 0.204 0.030 2 557 56 56 LYS HE2 H 2.241 0.030 2 558 56 56 LYS HE3 H 2.380 0.030 2 559 56 56 LYS HG2 H 0.197 0.030 2 560 56 56 LYS HG3 H 0.149 0.030 2 561 56 56 LYS C C 172.596 0.300 1 562 56 56 LYS CA C 52.136 0.300 1 563 56 56 LYS CB C 32.740 0.300 1 564 56 56 LYS CD C 26.320 0.300 1 565 56 56 LYS CE C 39.746 0.300 1 566 56 56 LYS CG C 21.623 0.300 1 567 56 56 LYS N N 118.768 0.300 1 568 57 57 LYS H H 8.020 0.030 1 569 57 57 LYS HA H 3.891 0.030 1 570 57 57 LYS HB2 H 1.324 0.030 2 571 57 57 LYS HB3 H 1.196 0.030 2 572 57 57 LYS HD2 H 1.454 0.030 1 573 57 57 LYS HD3 H 1.454 0.030 1 574 57 57 LYS HE2 H 2.811 0.030 2 575 57 57 LYS HG2 H 0.636 0.030 2 576 57 57 LYS HG3 H 1.062 0.030 2 577 57 57 LYS C C 174.310 0.300 1 578 57 57 LYS CA C 53.089 0.300 1 579 57 57 LYS CB C 30.773 0.300 1 580 57 57 LYS CD C 27.689 0.300 1 581 57 57 LYS CE C 39.824 0.300 1 582 57 57 LYS CG C 23.381 0.300 1 583 57 57 LYS N N 123.862 0.300 1 584 58 58 LEU H H 8.261 0.030 1 585 58 58 LEU HA H 3.955 0.030 1 586 58 58 LEU HB2 H 1.332 0.030 1 587 58 58 LEU HB3 H 1.332 0.030 1 588 58 58 LEU HD1 H 0.667 0.030 1 589 58 58 LEU HD2 H 0.529 0.030 1 590 58 58 LEU HG H 1.282 0.030 1 591 58 58 LEU C C 174.492 0.300 1 592 58 58 LEU CA C 52.999 0.300 1 593 58 58 LEU CB C 37.693 0.300 1 594 58 58 LEU CD1 C 22.551 0.300 2 595 58 58 LEU CD2 C 20.497 0.300 2 596 58 58 LEU CG C 24.813 0.300 1 597 58 58 LEU N N 124.769 0.300 1 598 59 59 LYS H H 8.183 0.030 1 599 59 59 LYS HA H 3.921 0.030 1 600 59 59 LYS HB2 H 1.816 0.030 2 601 59 59 LYS HB3 H 1.698 0.030 2 602 59 59 LYS HD2 H 1.531 0.030 1 603 59 59 LYS HD3 H 1.531 0.030 1 604 59 59 LYS HE2 H 2.825 0.030 1 605 59 59 LYS HE3 H 2.825 0.030 1 606 59 59 LYS HG2 H 1.184 0.030 1 607 59 59 LYS HG3 H 1.184 0.030 1 608 59 59 LYS C C 173.225 0.300 1 609 59 59 LYS CA C 54.250 0.300 1 610 59 59 LYS CB C 29.567 0.300 1 611 59 59 LYS CD C 26.740 0.300 1 612 59 59 LYS CE C 39.737 0.300 1 613 59 59 LYS CG C 22.857 0.300 1 614 59 59 LYS N N 117.232 0.300 1 615 60 60 LYS HA H 4.224 0.030 1 616 60 60 LYS HB2 H 1.462 0.030 2 617 60 60 LYS HB3 H 1.648 0.030 2 618 60 60 LYS HD2 H 1.531 0.030 1 619 60 60 LYS HD3 H 1.531 0.030 1 620 60 60 LYS HE2 H 2.823 0.030 1 621 60 60 LYS HE3 H 2.823 0.030 1 622 60 60 LYS HG2 H 1.214 0.030 1 623 60 60 LYS HG3 H 1.214 0.030 1 624 60 60 LYS C C 174.076 0.300 1 625 60 60 LYS CA C 53.241 0.300 1 626 60 60 LYS CB C 31.455 0.300 1 627 60 60 LYS CD C 26.347 0.300 1 628 60 60 LYS CE C 39.859 0.300 1 629 60 60 LYS CG C 22.260 0.300 1 630 61 61 VAL H H 8.015 0.030 1 631 61 61 VAL HA H 3.920 0.030 1 632 61 61 VAL HB H 1.916 0.030 1 633 61 61 VAL HG1 H 0.796 0.030 1 634 61 61 VAL HG2 H 0.819 0.030 1 635 61 61 VAL C C 173.704 0.300 1 636 61 61 VAL CA C 60.244 0.300 1 637 61 61 VAL CB C 29.768 0.300 1 638 61 61 VAL CG1 C 18.666 0.300 2 639 61 61 VAL CG2 C 18.382 0.300 2 640 61 61 VAL N N 120.485 0.300 1 641 62 62 GLY H H 8.109 0.030 1 642 62 62 GLY HA2 H 4.062 0.030 2 643 62 62 GLY HA3 H 3.730 0.030 2 644 62 62 GLY C C 169.578 0.300 1 645 62 62 GLY CA C 42.441 0.300 1 646 62 62 GLY N N 113.367 0.300 1 647 63 63 ASP H H 8.025 0.030 1 648 63 63 ASP HA H 4.653 0.030 1 649 63 63 ASP HB2 H 2.354 0.030 2 650 63 63 ASP HB3 H 2.724 0.030 2 651 63 63 ASP C C 173.235 0.300 1 652 63 63 ASP CA C 50.338 0.300 1 653 63 63 ASP CB C 41.177 0.300 1 654 63 63 ASP N N 119.646 0.300 1 655 64 64 TRP H H 8.405 0.030 1 656 64 64 TRP HA H 4.127 0.030 1 657 64 64 TRP HB2 H 2.739 0.030 1 658 64 64 TRP HB3 H 2.739 0.030 1 659 64 64 TRP HD1 H 7.239 0.030 1 660 64 64 TRP HE1 H 10.091 0.030 1 661 64 64 TRP HE3 H 6.930 0.030 1 662 64 64 TRP HH2 H 6.602 0.030 1 663 64 64 TRP HZ2 H 7.354 0.030 1 664 64 64 TRP HZ3 H 6.690 0.030 1 665 64 64 TRP C C 174.148 0.300 1 666 64 64 TRP CA C 56.175 0.300 1 667 64 64 TRP CB C 27.085 0.300 1 668 64 64 TRP CD1 C 125.753 0.300 1 669 64 64 TRP CE3 C 117.143 0.300 1 670 64 64 TRP CH2 C 120.160 0.300 1 671 64 64 TRP CZ2 C 112.268 0.300 1 672 64 64 TRP CZ3 C 119.436 0.300 1 673 64 64 TRP N N 120.058 0.300 1 674 64 64 TRP NE1 N 130.420 0.300 1 675 65 65 ILE H H 9.392 0.030 1 676 65 65 ILE HA H 4.179 0.030 1 677 65 65 ILE HB H 1.195 0.030 1 678 65 65 ILE HD1 H 0.680 0.030 1 679 65 65 ILE HG12 H 0.968 0.030 2 680 65 65 ILE HG13 H 1.337 0.030 2 681 65 65 ILE HG2 H 0.701 0.030 1 682 65 65 ILE C C 173.216 0.300 1 683 65 65 ILE CA C 57.196 0.300 1 684 65 65 ILE CB C 38.357 0.300 1 685 65 65 ILE CD1 C 10.652 0.300 1 686 65 65 ILE CG1 C 24.596 0.300 1 687 65 65 ILE CG2 C 15.094 0.300 1 688 65 65 ILE N N 124.936 0.300 1 689 66 66 LEU H H 8.458 0.030 1 690 66 66 LEU HA H 4.137 0.030 1 691 66 66 LEU HB2 H 1.521 0.030 2 692 66 66 LEU HB3 H 1.706 0.030 2 693 66 66 LEU HD1 H 0.831 0.030 1 694 66 66 LEU HD2 H 0.794 0.030 1 695 66 66 LEU HG H 1.410 0.030 1 696 66 66 LEU C C 173.401 0.300 1 697 66 66 LEU CA C 54.145 0.300 1 698 66 66 LEU CB C 39.365 0.300 1 699 66 66 LEU CD1 C 21.630 0.300 2 700 66 66 LEU CD2 C 23.144 0.300 2 701 66 66 LEU CG C 24.840 0.300 1 702 66 66 LEU N N 125.776 0.300 1 703 67 67 ALA H H 9.024 0.030 1 704 67 67 ALA HA H 4.462 0.030 1 705 67 67 ALA HB H 1.270 0.030 1 706 67 67 ALA C C 175.011 0.300 1 707 67 67 ALA CA C 50.585 0.300 1 708 67 67 ALA CB C 18.178 0.300 1 709 67 67 ALA N N 129.503 0.300 1 710 68 68 THR H H 7.490 0.030 1 711 68 68 THR HA H 4.527 0.030 1 712 68 68 THR HB H 4.077 0.030 1 713 68 68 THR HG2 H 1.164 0.030 1 714 68 68 THR C C 170.383 0.300 1 715 68 68 THR CA C 59.151 0.300 1 716 68 68 THR CB C 68.583 0.300 1 717 68 68 THR CG2 C 19.055 0.300 1 718 68 68 THR N N 109.453 0.300 1 719 69 69 SER H H 8.457 0.030 1 720 69 69 SER HA H 4.754 0.030 1 721 69 69 SER HB2 H 3.774 0.030 2 722 69 69 SER HB3 H 3.902 0.030 2 723 69 69 SER C C 170.514 0.300 1 724 69 69 SER CA C 54.568 0.300 1 725 69 69 SER CB C 62.557 0.300 1 726 69 69 SER N N 118.730 0.300 1 727 70 70 ALA H H 8.637 0.030 1 728 70 70 ALA HA H 4.030 0.030 1 729 70 70 ALA HB H 1.324 0.030 1 730 70 70 ALA C C 174.548 0.300 1 731 70 70 ALA CA C 50.620 0.300 1 732 70 70 ALA CB C 15.224 0.300 1 733 70 70 ALA N N 121.731 0.300 1 734 71 71 ILE H H 8.386 0.030 1 735 71 71 ILE HA H 4.373 0.030 1 736 71 71 ILE HB H 1.923 0.030 1 737 71 71 ILE HD1 H 0.753 0.030 1 738 71 71 ILE HG12 H 1.566 0.030 2 739 71 71 ILE HG13 H 1.109 0.030 2 740 71 71 ILE HG2 H 1.385 0.030 1 741 71 71 ILE C C 171.914 0.300 1 742 71 71 ILE CA C 56.930 0.300 1 743 71 71 ILE CB C 37.690 0.300 1 744 71 71 ILE CD1 C 12.949 0.300 1 745 71 71 ILE CG1 C 25.823 0.300 1 746 71 71 ILE CG2 C 15.059 0.300 1 747 71 71 ILE N N 124.362 0.300 1 748 72 72 PRO HA H 4.656 0.030 1 749 72 72 PRO HB2 H 2.489 0.030 2 750 72 72 PRO HB3 H 1.918 0.030 2 751 72 72 PRO HD2 H 3.682 0.030 2 752 72 72 PRO HD3 H 4.119 0.030 2 753 72 72 PRO HG2 H 2.064 0.030 1 754 72 72 PRO HG3 H 2.064 0.030 1 755 72 72 PRO CA C 59.296 0.300 1 756 72 72 PRO CB C 29.313 0.300 1 757 72 72 PRO CD C 48.970 0.300 1 758 72 72 PRO CG C 25.263 0.300 1 759 73 73 PRO HA H 4.372 0.030 1 760 73 73 PRO HB2 H 1.583 0.030 2 761 73 73 PRO HB3 H 1.922 0.030 2 762 73 73 PRO HD2 H 3.676 0.030 2 763 73 73 PRO HD3 H 3.752 0.030 2 764 73 73 PRO HG2 H 1.763 0.030 2 765 73 73 PRO HG3 H 1.933 0.030 2 766 73 73 PRO C C 173.359 0.300 1 767 73 73 PRO CA C 61.844 0.300 1 768 73 73 PRO CB C 29.541 0.300 1 769 73 73 PRO CD C 47.371 0.300 1 770 73 73 PRO CG C 25.458 0.300 1 771 74 74 SER H H 7.166 0.030 1 772 74 74 SER HA H 4.318 0.030 1 773 74 74 SER HB2 H 3.734 0.030 2 774 74 74 SER HB3 H 4.000 0.030 2 775 74 74 SER C C 171.659 0.300 1 776 74 74 SER CA C 55.219 0.300 1 777 74 74 SER CB C 61.034 0.300 1 778 74 74 SER N N 108.247 0.300 1 779 75 75 ARG H H 8.182 0.030 1 780 75 75 ARG HA H 4.297 0.030 1 781 75 75 ARG HB2 H 1.800 0.030 2 782 75 75 ARG HB3 H 1.934 0.030 2 783 75 75 ARG HD2 H 3.176 0.030 2 784 75 75 ARG HD3 H 3.242 0.030 2 785 75 75 ARG HG2 H 1.544 0.030 2 786 75 75 ARG HG3 H 1.605 0.030 2 787 75 75 ARG C C 169.692 0.300 1 788 75 75 ARG CA C 53.229 0.300 1 789 75 75 ARG CB C 29.001 0.300 1 790 75 75 ARG CD C 41.177 0.300 1 791 75 75 ARG CG C 24.982 0.300 1 792 75 75 ARG N N 126.196 0.300 1 793 76 76 LEU H H 7.308 0.030 1 794 76 76 LEU HA H 3.256 0.030 1 795 76 76 LEU HB2 H 1.370 0.030 2 796 76 76 LEU HB3 H 0.857 0.030 2 797 76 76 LEU HD1 H 0.689 0.030 1 798 76 76 LEU HD2 H 0.425 0.030 1 799 76 76 LEU HG H 1.153 0.030 1 800 76 76 LEU C C 171.246 0.300 1 801 76 76 LEU CA C 49.844 0.300 1 802 76 76 LEU CB C 38.345 0.300 1 803 76 76 LEU CD1 C 23.134 0.300 2 804 76 76 LEU CD2 C 21.216 0.300 2 805 76 76 LEU CG C 24.617 0.300 1 806 76 76 LEU N N 119.036 0.300 1 807 77 77 SER H H 6.482 0.030 1 808 77 77 SER HA H 5.125 0.030 1 809 77 77 SER HB2 H 3.137 0.030 2 810 77 77 SER HB3 H 3.228 0.030 2 811 77 77 SER C C 172.140 0.300 1 812 77 77 SER CA C 53.405 0.300 1 813 77 77 SER CB C 63.131 0.300 1 814 77 77 SER N N 107.332 0.300 1 815 78 78 VAL H H 8.582 0.030 1 816 78 78 VAL HA H 4.601 0.030 1 817 78 78 VAL HB H 2.185 0.030 1 818 78 78 VAL HG1 H 0.990 0.030 1 819 78 78 VAL HG2 H 0.989 0.030 1 820 78 78 VAL C C 169.973 0.300 1 821 78 78 VAL CA C 57.459 0.300 1 822 78 78 VAL CB C 33.884 0.300 1 823 78 78 VAL CG1 C 19.426 0.300 2 824 78 78 VAL CG2 C 17.861 0.300 2 825 78 78 VAL N N 118.362 0.300 1 826 79 79 GLU H H 8.459 0.030 1 827 79 79 GLU HA H 5.190 0.030 1 828 79 79 GLU HB2 H 1.884 0.030 2 829 79 79 GLU HB3 H 1.564 0.030 2 830 79 79 GLU HG2 H 1.402 0.030 2 831 79 79 GLU HG3 H 1.525 0.030 2 832 79 79 GLU C C 173.501 0.300 1 833 79 79 GLU CA C 51.501 0.300 1 834 79 79 GLU CB C 28.800 0.300 1 835 79 79 GLU CG C 33.515 0.300 1 836 79 79 GLU N N 125.236 0.300 1 837 80 80 ILE H H 8.889 0.030 1 838 80 80 ILE HA H 4.354 0.030 1 839 80 80 ILE HB H 1.591 0.030 1 840 80 80 ILE HD1 H 0.591 0.030 1 841 80 80 ILE HG12 H 1.016 0.030 2 842 80 80 ILE HG13 H 1.295 0.030 2 843 80 80 ILE HG2 H 0.752 0.030 1 844 80 80 ILE C C 172.892 0.300 1 845 80 80 ILE CA C 56.155 0.300 1 846 80 80 ILE CB C 34.204 0.300 1 847 80 80 ILE CD1 C 8.866 0.300 1 848 80 80 ILE CG1 C 24.856 0.300 1 849 80 80 ILE CG2 C 14.979 0.300 1 850 80 80 ILE N N 128.664 0.300 1 851 81 81 THR H H 8.023 0.030 1 852 81 81 THR HA H 4.403 0.030 1 853 81 81 THR HB H 4.258 0.030 1 854 81 81 THR HG2 H 0.928 0.030 1 855 81 81 THR C C 172.144 0.300 1 856 81 81 THR CA C 57.212 0.300 1 857 81 81 THR CB C 68.455 0.300 1 858 81 81 THR CG2 C 18.814 0.300 1 859 81 81 THR N N 115.267 0.300 1 860 82 82 GLY H H 8.752 0.030 1 861 82 82 GLY HA2 H 3.722 0.030 2 862 82 82 GLY HA3 H 3.842 0.030 2 863 82 82 GLY C C 173.248 0.300 1 864 82 82 GLY CA C 43.957 0.300 1 865 82 82 GLY N N 105.683 0.300 1 866 83 83 LEU H H 8.109 0.030 1 867 83 83 LEU HA H 4.018 0.030 1 868 83 83 LEU HB2 H 1.099 0.030 1 869 83 83 LEU HB3 H 1.099 0.030 1 870 83 83 LEU HD1 H 0.298 0.030 1 871 83 83 LEU HD2 H -0.229 0.030 1 872 83 83 LEU HG H 1.189 0.030 1 873 83 83 LEU C C 173.620 0.300 1 874 83 83 LEU CA C 52.065 0.300 1 875 83 83 LEU CB C 39.084 0.300 1 876 83 83 LEU CD1 C 24.765 0.300 2 877 83 83 LEU CD2 C 17.773 0.300 2 878 83 83 LEU CG C 24.110 0.300 1 879 83 83 LEU N N 118.659 0.300 1 880 84 84 GLU H H 8.224 0.030 1 881 84 84 GLU HA H 4.213 0.030 1 882 84 84 GLU HB2 H 1.870 0.030 1 883 84 84 GLU HB3 H 1.870 0.030 1 884 84 84 GLU HG2 H 2.171 0.030 1 885 84 84 GLU HG3 H 2.171 0.030 1 886 84 84 GLU C C 173.216 0.300 1 887 84 84 GLU CA C 53.405 0.300 1 888 84 84 GLU CB C 29.231 0.300 1 889 84 84 GLU CG C 34.174 0.300 1 890 84 84 GLU N N 120.491 0.300 1 891 85 85 LYS H H 8.170 0.030 1 892 85 85 LYS HA H 3.805 0.030 1 893 85 85 LYS HB2 H 1.632 0.030 1 894 85 85 LYS HB3 H 1.632 0.030 1 895 85 85 LYS HD2 H 1.586 0.030 1 896 85 85 LYS HD3 H 1.586 0.030 1 897 85 85 LYS HE2 H 2.799 0.030 1 898 85 85 LYS HE3 H 2.799 0.030 1 899 85 85 LYS HG2 H 1.273 0.030 2 900 85 85 LYS HG3 H 1.431 0.030 2 901 85 85 LYS C C 175.536 0.300 1 902 85 85 LYS CA C 55.886 0.300 1 903 85 85 LYS CB C 30.309 0.300 1 904 85 85 LYS CD C 27.335 0.300 1 905 85 85 LYS CE C 39.783 0.300 1 906 85 85 LYS CG C 23.249 0.300 1 907 85 85 LYS N N 121.685 0.300 1 908 86 86 GLY H H 8.426 0.030 1 909 86 86 GLY HA2 H 4.028 0.030 2 910 86 86 GLY HA3 H 3.534 0.030 2 911 86 86 GLY C C 171.018 0.300 1 912 86 86 GLY CA C 43.041 0.300 1 913 86 86 GLY N N 110.460 0.300 1 914 87 87 ILE H H 7.427 0.030 1 915 87 87 ILE HA H 4.148 0.030 1 916 87 87 ILE HB H 2.073 0.030 1 917 87 87 ILE HD1 H 0.540 0.030 1 918 87 87 ILE HG12 H 1.109 0.030 1 919 87 87 ILE HG13 H 1.109 0.030 1 920 87 87 ILE HG2 H 0.306 0.030 1 921 87 87 ILE C C 171.822 0.300 1 922 87 87 ILE CA C 55.802 0.300 1 923 87 87 ILE CB C 34.871 0.300 1 924 87 87 ILE CD1 C 8.244 0.300 1 925 87 87 ILE CG1 C 25.295 0.300 1 926 87 87 ILE CG2 C 15.199 0.300 1 927 87 87 ILE N N 121.553 0.300 1 928 88 88 SER H H 7.972 0.030 1 929 88 88 SER HA H 5.512 0.030 1 930 88 88 SER HB2 H 3.553 0.030 2 931 88 88 SER HB3 H 3.451 0.030 2 932 88 88 SER C C 170.867 0.300 1 933 88 88 SER CA C 54.392 0.300 1 934 88 88 SER CB C 62.746 0.300 1 935 88 88 SER N N 118.360 0.300 1 936 89 89 TYR H H 9.190 0.030 1 937 89 89 TYR HA H 5.165 0.030 1 938 89 89 TYR HB2 H 2.531 0.030 2 939 89 89 TYR HB3 H 2.122 0.030 2 940 89 89 TYR HD1 H 6.679 0.030 1 941 89 89 TYR HD2 H 6.679 0.030 1 942 89 89 TYR HE1 H 6.520 0.030 1 943 89 89 TYR HE2 H 6.520 0.030 1 944 89 89 TYR C C 173.978 0.300 1 945 89 89 TYR CA C 54.780 0.300 1 946 89 89 TYR CB C 43.319 0.300 1 947 89 89 TYR CD1 C 130.665 0.300 1 948 89 89 TYR CD2 C 130.665 0.300 1 949 89 89 TYR CE1 C 116.023 0.300 1 950 89 89 TYR CE2 C 116.023 0.300 1 951 89 89 TYR N N 121.652 0.300 1 952 90 90 LYS H H 8.050 0.030 1 953 90 90 LYS HA H 4.509 0.030 1 954 90 90 LYS HB2 H 1.882 0.030 2 955 90 90 LYS HB3 H 1.429 0.030 2 956 90 90 LYS HD2 H 1.619 0.030 2 957 90 90 LYS HD3 H 1.716 0.030 2 958 90 90 LYS HE2 H 2.716 0.030 2 959 90 90 LYS HE3 H 2.775 0.030 2 960 90 90 LYS HG2 H 1.283 0.030 1 961 90 90 LYS HG3 H 1.283 0.030 1 962 90 90 LYS C C 171.664 0.300 1 963 90 90 LYS CA C 53.476 0.300 1 964 90 90 LYS CB C 36.047 0.300 1 965 90 90 LYS CD C 27.983 0.300 1 966 90 90 LYS CE C 39.976 0.300 1 967 90 90 LYS CG C 23.710 0.300 1 968 90 90 LYS N N 114.329 0.300 1 969 91 91 PHE H H 8.324 0.030 1 970 91 91 PHE HA H 5.808 0.030 1 971 91 91 PHE HB2 H 2.648 0.030 2 972 91 91 PHE HB3 H 2.854 0.030 2 973 91 91 PHE HD1 H 7.084 0.030 1 974 91 91 PHE HD2 H 7.084 0.030 1 975 91 91 PHE HE1 H 6.764 0.030 1 976 91 91 PHE HE2 H 6.764 0.030 1 977 91 91 PHE HZ H 6.447 0.030 1 978 91 91 PHE C C 172.241 0.300 1 979 91 91 PHE CA C 54.648 0.300 1 980 91 91 PHE CB C 41.632 0.300 1 981 91 91 PHE CD1 C 130.407 0.300 1 982 91 91 PHE CD2 C 130.407 0.300 1 983 91 91 PHE CE1 C 127.859 0.300 1 984 91 91 PHE CE2 C 127.859 0.300 1 985 91 91 PHE CZ C 127.222 0.300 1 986 91 91 PHE N N 114.734 0.300 1 987 92 92 ARG H H 9.421 0.030 1 988 92 92 ARG HA H 4.462 0.030 1 989 92 92 ARG HB2 H 0.905 0.030 2 990 92 92 ARG HB3 H 1.730 0.030 2 991 92 92 ARG HD2 H 1.889 0.030 2 992 92 92 ARG HD3 H 0.204 0.030 2 993 92 92 ARG HE H 6.645 0.030 1 994 92 92 ARG HG2 H 1.032 0.030 2 995 92 92 ARG HG3 H 0.596 0.030 2 996 92 92 ARG C C 169.588 0.300 1 997 92 92 ARG CA C 52.787 0.300 1 998 92 92 ARG CB C 29.807 0.300 1 999 92 92 ARG CD C 39.551 0.300 1 1000 92 92 ARG CG C 22.469 0.300 1 1001 92 92 ARG N N 117.390 0.300 1 1002 92 92 ARG NE N 83.284 0.300 1 1003 93 93 VAL H H 8.199 0.030 1 1004 93 93 VAL HA H 4.902 0.030 1 1005 93 93 VAL HB H 1.016 0.030 1 1006 93 93 VAL HG1 H -0.232 0.030 1 1007 93 93 VAL HG2 H 0.109 0.030 1 1008 93 93 VAL C C 172.017 0.300 1 1009 93 93 VAL CA C 57.494 0.300 1 1010 93 93 VAL CB C 33.707 0.300 1 1011 93 93 VAL CG1 C 17.036 0.300 2 1012 93 93 VAL CG2 C 18.023 0.300 2 1013 93 93 VAL N N 118.174 0.300 1 1014 94 94 ARG H H 8.602 0.030 1 1015 94 94 ARG HA H 4.309 0.030 1 1016 94 94 ARG HB2 H 1.118 0.030 2 1017 94 94 ARG HB3 H 1.535 0.030 2 1018 94 94 ARG HD2 H 2.590 0.030 2 1019 94 94 ARG HD3 H 2.943 0.030 2 1020 94 94 ARG HE H 7.321 0.030 1 1021 94 94 ARG HG2 H 1.005 0.030 2 1022 94 94 ARG HG3 H 1.108 0.030 2 1023 94 94 ARG C C 171.507 0.300 1 1024 94 94 ARG CA C 51.572 0.300 1 1025 94 94 ARG CB C 32.180 0.300 1 1026 94 94 ARG CD C 41.560 0.300 1 1027 94 94 ARG CG C 25.974 0.300 1 1028 94 94 ARG N N 121.310 0.300 1 1029 94 94 ARG NE N 84.212 0.300 1 1030 95 95 ALA H H 8.869 0.030 1 1031 95 95 ALA HA H 5.006 0.030 1 1032 95 95 ALA HB H 1.327 0.030 1 1033 95 95 ALA C C 172.766 0.300 1 1034 95 95 ALA CA C 48.117 0.300 1 1035 95 95 ALA CB C 20.929 0.300 1 1036 95 95 ALA N N 122.929 0.300 1 1037 96 96 LEU H H 8.535 0.030 1 1038 96 96 LEU HA H 5.093 0.030 1 1039 96 96 LEU HB2 H 1.507 0.030 2 1040 96 96 LEU HB3 H 1.449 0.030 2 1041 96 96 LEU HD1 H 0.609 0.030 1 1042 96 96 LEU HD2 H 0.546 0.030 1 1043 96 96 LEU HG H 1.405 0.030 1 1044 96 96 LEU C C 174.663 0.300 1 1045 96 96 LEU CA C 53.299 0.300 1 1046 96 96 LEU CB C 41.783 0.300 1 1047 96 96 LEU CD1 C 24.217 0.300 2 1048 96 96 LEU CD2 C 21.037 0.300 2 1049 96 96 LEU CG C 28.193 0.300 1 1050 96 96 LEU N N 122.784 0.300 1 1051 97 97 ASN H H 8.670 0.030 1 1052 97 97 ASN HA H 4.513 0.030 1 1053 97 97 ASN HB2 H 3.113 0.030 2 1054 97 97 ASN HB3 H 2.501 0.030 2 1055 97 97 ASN HD21 H 7.798 0.030 2 1056 97 97 ASN HD22 H 7.943 0.030 2 1057 97 97 ASN C C 174.165 0.300 1 1058 97 97 ASN CA C 49.457 0.300 1 1059 97 97 ASN CB C 39.675 0.300 1 1060 97 97 ASN N N 120.163 0.300 1 1061 97 97 ASN ND2 N 114.098 0.300 1 1062 98 98 MET H H 8.570 0.030 1 1063 98 98 MET HA H 3.864 0.030 1 1064 98 98 MET HB2 H 1.746 0.030 2 1065 98 98 MET HB3 H 1.391 0.030 2 1066 98 98 MET HE H 1.539 0.030 1 1067 98 98 MET HG2 H 1.968 0.030 2 1068 98 98 MET HG3 H 1.840 0.030 2 1069 98 98 MET C C 174.136 0.300 1 1070 98 98 MET CA C 56.120 0.300 1 1071 98 98 MET CB C 30.133 0.300 1 1072 98 98 MET CE C 14.337 0.300 1 1073 98 98 MET CG C 28.457 0.300 1 1074 98 98 MET N N 115.174 0.300 1 1075 99 99 LEU H H 7.718 0.030 1 1076 99 99 LEU HA H 4.119 0.030 1 1077 99 99 LEU HB2 H 1.286 0.030 2 1078 99 99 LEU HB3 H 1.476 0.030 2 1079 99 99 LEU HD1 H 0.628 0.030 1 1080 99 99 LEU HD2 H 0.525 0.030 1 1081 99 99 LEU HG H 1.093 0.030 1 1082 99 99 LEU C C 174.802 0.300 1 1083 99 99 LEU CA C 52.626 0.300 1 1084 99 99 LEU CB C 39.180 0.300 1 1085 99 99 LEU CD1 C 23.043 0.300 2 1086 99 99 LEU CD2 C 20.036 0.300 2 1087 99 99 LEU CG C 24.725 0.300 1 1088 99 99 LEU N N 117.068 0.300 1 1089 100 100 GLY H H 7.717 0.030 1 1090 100 100 GLY HA2 H 3.691 0.030 2 1091 100 100 GLY HA3 H 4.387 0.030 2 1092 100 100 GLY C C 168.945 0.300 1 1093 100 100 GLY CA C 42.300 0.300 1 1094 100 100 GLY N N 106.807 0.300 1 1095 101 101 GLU H H 8.357 0.030 1 1096 101 101 GLU HA H 4.603 0.030 1 1097 101 101 GLU HB2 H 1.857 0.030 2 1098 101 101 GLU HB3 H 1.711 0.030 2 1099 101 101 GLU HG2 H 2.184 0.030 2 1100 101 101 GLU HG3 H 1.986 0.030 2 1101 101 101 GLU C C 173.861 0.300 1 1102 101 101 GLU CA C 52.524 0.300 1 1103 101 101 GLU CB C 29.938 0.300 1 1104 101 101 GLU CG C 33.687 0.300 1 1105 101 101 GLU N N 118.734 0.300 1 1106 102 102 SER H H 9.059 0.030 1 1107 102 102 SER HA H 4.163 0.030 1 1108 102 102 SER HB2 H 3.628 0.030 2 1109 102 102 SER HB3 H 3.955 0.030 2 1110 102 102 SER C C 172.919 0.300 1 1111 102 102 SER CA C 55.767 0.300 1 1112 102 102 SER CB C 64.962 0.300 1 1113 102 102 SER N N 118.523 0.300 1 1114 103 103 GLU H H 8.572 0.030 1 1115 103 103 GLU HA H 4.234 0.030 1 1116 103 103 GLU HB2 H 1.680 0.030 2 1117 103 103 GLU HB3 H 2.005 0.030 2 1118 103 103 GLU HG2 H 2.264 0.030 2 1119 103 103 GLU HG3 H 2.332 0.030 2 1120 103 103 GLU C C 172.326 0.300 1 1121 103 103 GLU CA C 53.370 0.300 1 1122 103 103 GLU CB C 26.265 0.300 1 1123 103 103 GLU CG C 33.943 0.300 1 1124 103 103 GLU N N 119.690 0.300 1 1125 104 104 PRO HA H 4.219 0.030 1 1126 104 104 PRO HB2 H 1.293 0.030 2 1127 104 104 PRO HB3 H 1.533 0.030 2 1128 104 104 PRO HD2 H 3.441 0.030 2 1129 104 104 PRO HD3 H 3.524 0.030 2 1130 104 104 PRO HG2 H 1.738 0.030 2 1131 104 104 PRO HG3 H 1.400 0.030 2 1132 104 104 PRO C C 174.388 0.300 1 1133 104 104 PRO CA C 59.892 0.300 1 1134 104 104 PRO CB C 27.748 0.300 1 1135 104 104 PRO CD C 46.802 0.300 1 1136 104 104 PRO CG C 24.205 0.300 1 1137 105 105 SER H H 8.477 0.030 1 1138 105 105 SER HA H 4.107 0.030 1 1139 105 105 SER HB2 H 3.464 0.030 2 1140 105 105 SER HB3 H 3.969 0.030 2 1141 105 105 SER C C 171.357 0.300 1 1142 105 105 SER CA C 55.838 0.300 1 1143 105 105 SER CB C 64.829 0.300 1 1144 105 105 SER N N 114.116 0.300 1 1145 106 106 ALA H H 8.710 0.030 1 1146 106 106 ALA HA H 4.391 0.030 1 1147 106 106 ALA HB H 1.311 0.030 1 1148 106 106 ALA C C 174.074 0.300 1 1149 106 106 ALA CA C 48.752 0.300 1 1150 106 106 ALA CB C 14.746 0.300 1 1151 106 106 ALA N N 123.513 0.300 1 1152 107 107 PRO HA H 4.768 0.030 1 1153 107 107 PRO HB2 H 2.265 0.030 2 1154 107 107 PRO HB3 H 2.189 0.030 2 1155 107 107 PRO HD2 H 3.833 0.030 2 1156 107 107 PRO HD3 H 3.636 0.030 2 1157 107 107 PRO HG2 H 2.247 0.030 2 1158 107 107 PRO HG3 H 2.083 0.030 2 1159 107 107 PRO C C 175.109 0.300 1 1160 107 107 PRO CA C 59.433 0.300 1 1161 107 107 PRO CB C 30.714 0.300 1 1162 107 107 PRO CD C 47.658 0.300 1 1163 107 107 PRO CG C 25.358 0.300 1 1164 108 108 SER H H 9.521 0.030 1 1165 108 108 SER HA H 4.260 0.030 1 1166 108 108 SER HB2 H 4.001 0.030 2 1167 108 108 SER HB3 H 4.498 0.030 2 1168 108 108 SER C C 172.039 0.300 1 1169 108 108 SER CA C 56.225 0.300 1 1170 108 108 SER CB C 64.165 0.300 1 1171 108 108 SER N N 114.374 0.300 1 1172 109 109 ARG H H 8.559 0.030 1 1173 109 109 ARG HA H 4.528 0.030 1 1174 109 109 ARG HB2 H 1.795 0.030 2 1175 109 109 ARG HB3 H 1.989 0.030 2 1176 109 109 ARG HD2 H 3.262 0.030 1 1177 109 109 ARG HD3 H 3.262 0.030 1 1178 109 109 ARG HG2 H 1.798 0.030 1 1179 109 109 ARG HG3 H 1.798 0.030 1 1180 109 109 ARG C C 173.249 0.300 1 1181 109 109 ARG CA C 53.511 0.300 1 1182 109 109 ARG CB C 26.429 0.300 1 1183 109 109 ARG CD C 41.258 0.300 1 1184 109 109 ARG CG C 25.164 0.300 1 1185 109 109 ARG N N 118.996 0.300 1 1186 110 110 PRO HA H 4.583 0.030 1 1187 110 110 PRO HB2 H 1.770 0.030 2 1188 110 110 PRO HB3 H 1.905 0.030 2 1189 110 110 PRO HD2 H 3.683 0.030 2 1190 110 110 PRO HD3 H 3.821 0.030 2 1191 110 110 PRO HG2 H 2.131 0.030 2 1192 110 110 PRO HG3 H 1.851 0.030 2 1193 110 110 PRO C C 173.290 0.300 1 1194 110 110 PRO CA C 60.913 0.300 1 1195 110 110 PRO CB C 29.680 0.300 1 1196 110 110 PRO CD C 47.809 0.300 1 1197 110 110 PRO CG C 25.673 0.300 1 1198 111 111 TYR H H 9.375 0.030 1 1199 111 111 TYR HA H 4.665 0.030 1 1200 111 111 TYR HB2 H 2.946 0.030 1 1201 111 111 TYR HB3 H 2.946 0.030 1 1202 111 111 TYR HD1 H 6.832 0.030 1 1203 111 111 TYR HD2 H 6.832 0.030 1 1204 111 111 TYR HE1 H 6.520 0.030 1 1205 111 111 TYR HE2 H 6.520 0.030 1 1206 111 111 TYR C C 171.604 0.300 1 1207 111 111 TYR CA C 55.238 0.300 1 1208 111 111 TYR CB C 39.941 0.300 1 1209 111 111 TYR CD1 C 130.284 0.300 1 1210 111 111 TYR CD2 C 130.284 0.300 1 1211 111 111 TYR CE1 C 115.996 0.300 1 1212 111 111 TYR CE2 C 115.996 0.300 1 1213 111 111 TYR N N 125.071 0.300 1 1214 112 112 VAL H H 7.788 0.030 1 1215 112 112 VAL HA H 4.190 0.030 1 1216 112 112 VAL HB H 1.633 0.030 1 1217 112 112 VAL HG1 H 0.512 0.030 1 1218 112 112 VAL HG2 H 0.677 0.030 1 1219 112 112 VAL C C 172.480 0.300 1 1220 112 112 VAL CA C 58.658 0.300 1 1221 112 112 VAL CB C 30.438 0.300 1 1222 112 112 VAL CG1 C 17.955 0.300 2 1223 112 112 VAL CG2 C 18.132 0.300 2 1224 112 112 VAL N N 128.065 0.300 1 1225 113 113 VAL H H 8.120 0.030 1 1226 113 113 VAL HA H 3.813 0.030 1 1227 113 113 VAL HB H 2.521 0.030 1 1228 113 113 VAL HG1 H 0.927 0.030 1 1229 113 113 VAL HG2 H 1.149 0.030 1 1230 113 113 VAL C C 174.342 0.300 1 1231 113 113 VAL CA C 60.363 0.300 1 1232 113 113 VAL CB C 28.666 0.300 1 1233 113 113 VAL CG1 C 19.945 0.300 2 1234 113 113 VAL CG2 C 20.804 0.300 2 1235 113 113 VAL N N 128.415 0.300 1 1236 114 114 SER H H 8.466 0.030 1 1237 114 114 SER HA H 4.207 0.030 1 1238 114 114 SER HB2 H 3.829 0.030 1 1239 114 114 SER HB3 H 3.829 0.030 1 1240 114 114 SER C C 172.700 0.300 1 1241 114 114 SER CA C 57.071 0.300 1 1242 114 114 SER CB C 61.572 0.300 1 1243 114 114 SER N N 123.480 0.300 1 1244 115 115 GLY H H 8.367 0.030 1 1245 115 115 GLY HA2 H 3.931 0.030 1 1246 115 115 GLY HA3 H 3.931 0.030 1 1247 115 115 GLY C C 171.417 0.300 1 1248 115 115 GLY CA C 42.693 0.300 1 1249 115 115 GLY N N 109.344 0.300 1 1250 116 116 SER H H 8.243 0.030 1 1251 116 116 SER HA H 4.414 0.030 1 1252 116 116 SER HB2 H 3.744 0.030 1 1253 116 116 SER HB3 H 3.744 0.030 1 1254 116 116 SER C C 172.107 0.300 1 1255 116 116 SER CA C 55.767 0.300 1 1256 116 116 SER CB C 61.775 0.300 1 1257 116 116 SER N N 114.736 0.300 1 1258 117 117 GLY H H 8.293 0.030 1 1259 117 117 GLY HA2 H 3.966 0.030 2 1260 117 117 GLY HA3 H 4.036 0.030 2 1261 117 117 GLY C C 169.389 0.300 1 1262 117 117 GLY CA C 42.218 0.300 1 1263 117 117 GLY N N 110.229 0.300 1 1264 118 118 PRO HA H 4.365 0.030 1 1265 118 118 PRO HB2 H 2.190 0.030 2 1266 118 118 PRO HB3 H 1.888 0.030 2 1267 118 118 PRO HD2 H 3.455 0.030 2 1268 118 118 PRO HD3 H 3.543 0.030 2 1269 118 118 PRO HG2 H 1.916 0.030 1 1270 118 118 PRO HG3 H 1.916 0.030 1 1271 118 118 PRO CA C 61.000 0.300 1 1272 118 118 PRO CB C 29.883 0.300 1 1273 118 118 PRO CD C 47.424 0.300 1 1274 118 118 PRO CG C 25.000 0.300 1 1275 120 120 SER HA H 4.388 0.030 1 1276 120 120 SER HB2 H 3.781 0.030 1 1277 120 120 SER HB3 H 3.781 0.030 1 1278 120 120 SER C C 171.585 0.300 1 1279 120 120 SER CA C 56.014 0.300 1 1280 120 120 SER CB C 61.857 0.300 1 1281 121 121 GLY H H 7.962 0.030 1 1282 121 121 GLY HA2 H 3.652 0.030 2 1283 121 121 GLY HA3 H 3.701 0.030 2 1284 121 121 GLY C C 176.648 0.300 1 1285 121 121 GLY CA C 43.859 0.300 1 1286 121 121 GLY N N 116.481 0.300 1 stop_ save_