data_10321 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 11th filamin domain from human Filamin-B ; _BMRB_accession_number 10321 _BMRB_flat_file_name bmr10321.str _Entry_type new _Submission_date 2009-04-02 _Accession_date 2009-04-02 _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 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 640 "13C chemical shifts" 507 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-07 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 11th filamin domain from human Filamin-B' _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 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Filamin-B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Filamin 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 'Filamin domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSSGSSGHFPARVKVEPAVD TSRIKVFGPGIEGKDVFREA TTDFTVDSRPLTQVGGDHIK AHIANPSGASTECFVTDNAD GTYQVEYTPFEKGLHVVEVT YDDVPIPNSPFKVAVTEGCQ PSSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 HIS 9 PHE 10 PRO 11 ALA 12 ARG 13 VAL 14 LYS 15 VAL 16 GLU 17 PRO 18 ALA 19 VAL 20 ASP 21 THR 22 SER 23 ARG 24 ILE 25 LYS 26 VAL 27 PHE 28 GLY 29 PRO 30 GLY 31 ILE 32 GLU 33 GLY 34 LYS 35 ASP 36 VAL 37 PHE 38 ARG 39 GLU 40 ALA 41 THR 42 THR 43 ASP 44 PHE 45 THR 46 VAL 47 ASP 48 SER 49 ARG 50 PRO 51 LEU 52 THR 53 GLN 54 VAL 55 GLY 56 GLY 57 ASP 58 HIS 59 ILE 60 LYS 61 ALA 62 HIS 63 ILE 64 ALA 65 ASN 66 PRO 67 SER 68 GLY 69 ALA 70 SER 71 THR 72 GLU 73 CYS 74 PHE 75 VAL 76 THR 77 ASP 78 ASN 79 ALA 80 ASP 81 GLY 82 THR 83 TYR 84 GLN 85 VAL 86 GLU 87 TYR 88 THR 89 PRO 90 PHE 91 GLU 92 LYS 93 GLY 94 LEU 95 HIS 96 VAL 97 VAL 98 GLU 99 VAL 100 THR 101 TYR 102 ASP 103 ASP 104 VAL 105 PRO 106 ILE 107 PRO 108 ASN 109 SER 110 PRO 111 PHE 112 LYS 113 VAL 114 ALA 115 VAL 116 THR 117 GLU 118 GLY 119 CYS 120 GLN 121 PRO 122 SER 123 SER 124 GLY 125 PRO 126 SER 127 SER 128 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 2DIB "Solution Structure Of The 11th Filamin Domain From Human Filamin-B" 100.00 128 100.00 100.00 1.83e-85 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 P051205-12 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 1.22 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRview _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9742 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Filamin 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 3.796 0.030 1 2 1 1 GLY HA3 H 3.796 0.030 1 3 1 1 GLY CA C 43.710 0.300 1 4 8 8 HIS HA H 4.504 0.030 1 5 8 8 HIS HB2 H 2.888 0.030 2 6 8 8 HIS HB3 H 2.830 0.030 2 7 8 8 HIS HD2 H 6.794 0.030 1 8 8 8 HIS HE1 H 7.753 0.030 1 9 8 8 HIS C C 174.599 0.300 1 10 8 8 HIS CA C 55.960 0.300 1 11 8 8 HIS CB C 30.967 0.300 1 12 8 8 HIS CD2 C 119.679 0.300 1 13 8 8 HIS CE1 C 138.299 0.300 1 14 9 9 PHE H H 8.176 0.030 1 15 9 9 PHE HA H 4.803 0.030 1 16 9 9 PHE HB2 H 2.819 0.030 2 17 9 9 PHE HB3 H 3.071 0.030 2 18 9 9 PHE HD1 H 7.209 0.030 1 19 9 9 PHE HD2 H 7.209 0.030 1 20 9 9 PHE C C 173.534 0.300 1 21 9 9 PHE CA C 55.473 0.300 1 22 9 9 PHE CB C 39.038 0.300 1 23 9 9 PHE CD1 C 132.082 0.300 1 24 9 9 PHE CD2 C 132.082 0.300 1 25 9 9 PHE N N 122.796 0.300 1 26 10 10 PRO HA H 4.325 0.030 1 27 10 10 PRO HB2 H 2.215 0.030 2 28 10 10 PRO HB3 H 1.856 0.030 2 29 10 10 PRO HD2 H 3.570 0.030 2 30 10 10 PRO HD3 H 3.486 0.030 2 31 10 10 PRO HG2 H 1.918 0.030 1 32 10 10 PRO HG3 H 1.918 0.030 1 33 10 10 PRO C C 176.423 0.300 1 34 10 10 PRO CA C 63.054 0.300 1 35 10 10 PRO CB C 31.988 0.300 1 36 10 10 PRO CD C 50.529 0.300 1 37 10 10 PRO CG C 27.282 0.300 1 38 11 11 ALA H H 8.322 0.030 1 39 11 11 ALA HA H 4.238 0.030 1 40 11 11 ALA HB H 1.335 0.030 1 41 11 11 ALA C C 177.740 0.300 1 42 11 11 ALA CA C 52.387 0.300 1 43 11 11 ALA CB C 19.114 0.300 1 44 11 11 ALA N N 124.169 0.300 1 45 12 12 ARG H H 8.277 0.030 1 46 12 12 ARG HA H 4.285 0.030 1 47 12 12 ARG HB2 H 1.777 0.030 2 48 12 12 ARG HB3 H 1.709 0.030 2 49 12 12 ARG HD2 H 3.137 0.030 1 50 12 12 ARG HD3 H 3.137 0.030 1 51 12 12 ARG HG2 H 1.605 0.030 2 52 12 12 ARG HG3 H 1.554 0.030 2 53 12 12 ARG C C 176.188 0.300 1 54 12 12 ARG CA C 55.984 0.300 1 55 12 12 ARG CB C 30.849 0.300 1 56 12 12 ARG CD C 43.340 0.300 1 57 12 12 ARG CG C 27.097 0.300 1 58 12 12 ARG N N 120.744 0.300 1 59 13 13 VAL H H 8.145 0.030 1 60 13 13 VAL HA H 4.036 0.030 1 61 13 13 VAL HB H 1.976 0.030 1 62 13 13 VAL HG1 H 0.876 0.030 1 63 13 13 VAL HG2 H 0.876 0.030 1 64 13 13 VAL C C 175.784 0.300 1 65 13 13 VAL CA C 62.178 0.300 1 66 13 13 VAL CB C 32.883 0.300 1 67 13 13 VAL CG1 C 20.548 0.300 1 68 13 13 VAL CG2 C 20.548 0.300 1 69 13 13 VAL N N 121.984 0.300 1 70 14 14 LYS H H 8.379 0.030 1 71 14 14 LYS HA H 4.285 0.030 1 72 14 14 LYS HB2 H 1.684 0.030 2 73 14 14 LYS HB3 H 1.749 0.030 2 74 14 14 LYS HD2 H 1.702 0.030 2 75 14 14 LYS HE2 H 2.952 0.030 2 76 14 14 LYS HG2 H 1.351 0.030 2 77 14 14 LYS C C 176.003 0.300 1 78 14 14 LYS CA C 56.265 0.300 1 79 14 14 LYS CB C 33.175 0.300 1 80 14 14 LYS CD C 29.092 0.300 1 81 14 14 LYS CE C 42.057 0.300 1 82 14 14 LYS CG C 24.770 0.300 1 83 14 14 LYS N N 125.953 0.300 1 84 15 15 VAL H H 8.242 0.030 1 85 15 15 VAL HA H 4.064 0.030 1 86 15 15 VAL HB H 1.970 0.030 1 87 15 15 VAL HG1 H 0.884 0.030 1 88 15 15 VAL HG2 H 0.884 0.030 1 89 15 15 VAL C C 175.872 0.300 1 90 15 15 VAL CA C 61.959 0.300 1 91 15 15 VAL CB C 32.857 0.300 1 92 15 15 VAL CG1 C 20.864 0.300 1 93 15 15 VAL CG2 C 20.864 0.300 1 94 15 15 VAL N N 123.265 0.300 1 95 16 16 GLU H H 8.509 0.030 1 96 16 16 GLU HA H 4.560 0.030 1 97 16 16 GLU HB2 H 1.996 0.030 2 98 16 16 GLU HB3 H 1.817 0.030 2 99 16 16 GLU HG2 H 2.254 0.030 1 100 16 16 GLU HG3 H 2.254 0.030 1 101 16 16 GLU C C 174.335 0.300 1 102 16 16 GLU CA C 54.178 0.300 1 103 16 16 GLU CB C 29.588 0.300 1 104 16 16 GLU CG C 35.992 0.300 1 105 16 16 GLU N N 126.853 0.300 1 106 17 17 PRO HA H 4.387 0.030 1 107 17 17 PRO HB2 H 2.303 0.030 2 108 17 17 PRO HB3 H 1.938 0.030 2 109 17 17 PRO HD2 H 3.689 0.030 2 110 17 17 PRO HD3 H 3.787 0.030 2 111 17 17 PRO HG2 H 1.990 0.030 1 112 17 17 PRO HG3 H 1.990 0.030 1 113 17 17 PRO C C 176.787 0.300 1 114 17 17 PRO CA C 62.864 0.300 1 115 17 17 PRO CB C 32.266 0.300 1 116 17 17 PRO CD C 50.616 0.300 1 117 17 17 PRO CG C 27.429 0.300 1 118 18 18 ALA H H 8.542 0.030 1 119 18 18 ALA HA H 4.260 0.030 1 120 18 18 ALA HB H 1.395 0.030 1 121 18 18 ALA C C 177.523 0.300 1 122 18 18 ALA CA C 52.728 0.300 1 123 18 18 ALA CB C 19.414 0.300 1 124 18 18 ALA N N 124.395 0.300 1 125 19 19 VAL H H 7.747 0.030 1 126 19 19 VAL HA H 4.000 0.030 1 127 19 19 VAL HB H 1.974 0.030 1 128 19 19 VAL HG1 H 0.985 0.030 1 129 19 19 VAL HG2 H 0.872 0.030 1 130 19 19 VAL C C 174.211 0.300 1 131 19 19 VAL CA C 61.668 0.300 1 132 19 19 VAL CB C 33.804 0.300 1 133 19 19 VAL CG1 C 21.249 0.300 2 134 19 19 VAL CG2 C 21.340 0.300 2 135 19 19 VAL N N 117.735 0.300 1 136 20 20 ASP H H 8.304 0.030 1 137 20 20 ASP HA H 4.791 0.030 1 138 20 20 ASP HB2 H 2.849 0.030 2 139 20 20 ASP HB3 H 2.586 0.030 2 140 20 20 ASP C C 176.901 0.300 1 141 20 20 ASP CA C 52.429 0.300 1 142 20 20 ASP CB C 40.736 0.300 1 143 20 20 ASP N N 124.435 0.300 1 144 21 21 THR H H 8.463 0.030 1 145 21 21 THR HA H 3.924 0.030 1 146 21 21 THR HB H 4.586 0.030 1 147 21 21 THR HG2 H 1.085 0.030 1 148 21 21 THR C C 175.417 0.300 1 149 21 21 THR CA C 61.074 0.300 1 150 21 21 THR CB C 69.454 0.300 1 151 21 21 THR CG2 C 22.721 0.300 1 152 21 21 THR N N 114.594 0.300 1 153 22 22 SER H H 8.261 0.030 1 154 22 22 SER HA H 3.997 0.030 1 155 22 22 SER HB2 H 3.979 0.030 2 156 22 22 SER HB3 H 3.812 0.030 2 157 22 22 SER C C 175.573 0.300 1 158 22 22 SER CA C 62.513 0.300 1 159 22 22 SER CB C 63.336 0.300 1 160 22 22 SER N N 116.212 0.300 1 161 23 23 ARG H H 8.568 0.030 1 162 23 23 ARG HA H 4.382 0.030 1 163 23 23 ARG HB2 H 2.008 0.030 2 164 23 23 ARG HB3 H 1.380 0.030 2 165 23 23 ARG HD2 H 3.079 0.030 1 166 23 23 ARG HD3 H 3.079 0.030 1 167 23 23 ARG HG2 H 1.624 0.030 2 168 23 23 ARG HG3 H 1.482 0.030 2 169 23 23 ARG C C 176.229 0.300 1 170 23 23 ARG CA C 55.781 0.300 1 171 23 23 ARG CB C 29.849 0.300 1 172 23 23 ARG CD C 43.238 0.300 1 173 23 23 ARG CG C 27.513 0.300 1 174 23 23 ARG N N 119.452 0.300 1 175 24 24 ILE H H 7.765 0.030 1 176 24 24 ILE HA H 3.947 0.030 1 177 24 24 ILE HB H 1.813 0.030 1 178 24 24 ILE HD1 H 0.505 0.030 1 179 24 24 ILE HG12 H 1.470 0.030 2 180 24 24 ILE HG13 H 0.606 0.030 2 181 24 24 ILE HG2 H 0.768 0.030 1 182 24 24 ILE C C 175.411 0.300 1 183 24 24 ILE CA C 63.709 0.300 1 184 24 24 ILE CB C 37.726 0.300 1 185 24 24 ILE CD1 C 14.652 0.300 1 186 24 24 ILE CG1 C 29.235 0.300 1 187 24 24 ILE CG2 C 17.315 0.300 1 188 24 24 ILE N N 121.079 0.300 1 189 25 25 LYS H H 7.888 0.030 1 190 25 25 LYS HA H 4.896 0.030 1 191 25 25 LYS HB2 H 2.066 0.030 2 192 25 25 LYS HB3 H 1.874 0.030 2 193 25 25 LYS HD2 H 1.747 0.030 1 194 25 25 LYS HD3 H 1.747 0.030 1 195 25 25 LYS HE2 H 3.006 0.030 2 196 25 25 LYS HG2 H 1.576 0.030 2 197 25 25 LYS HG3 H 1.521 0.030 2 198 25 25 LYS C C 174.537 0.300 1 199 25 25 LYS CA C 54.695 0.300 1 200 25 25 LYS CB C 36.807 0.300 1 201 25 25 LYS CD C 29.162 0.300 1 202 25 25 LYS CE C 42.115 0.300 1 203 25 25 LYS CG C 24.982 0.300 1 204 25 25 LYS N N 127.885 0.300 1 205 26 26 VAL H H 8.303 0.030 1 206 26 26 VAL HA H 5.476 0.030 1 207 26 26 VAL HB H 1.809 0.030 1 208 26 26 VAL HG1 H 0.809 0.030 1 209 26 26 VAL HG2 H 0.622 0.030 1 210 26 26 VAL C C 174.654 0.300 1 211 26 26 VAL CA C 58.733 0.300 1 212 26 26 VAL CB C 35.762 0.300 1 213 26 26 VAL CG1 C 22.751 0.300 2 214 26 26 VAL CG2 C 20.877 0.300 2 215 26 26 VAL N N 115.081 0.300 1 216 27 27 PHE H H 8.343 0.030 1 217 27 27 PHE HA H 4.765 0.030 1 218 27 27 PHE HB2 H 3.383 0.030 2 219 27 27 PHE HB3 H 3.090 0.030 2 220 27 27 PHE HD1 H 6.981 0.030 1 221 27 27 PHE HD2 H 6.981 0.030 1 222 27 27 PHE HE1 H 7.282 0.030 1 223 27 27 PHE HE2 H 7.282 0.030 1 224 27 27 PHE HZ H 7.325 0.030 1 225 27 27 PHE C C 172.764 0.300 1 226 27 27 PHE CA C 56.670 0.300 1 227 27 27 PHE CB C 40.086 0.300 1 228 27 27 PHE CD1 C 132.601 0.300 1 229 27 27 PHE CD2 C 132.601 0.300 1 230 27 27 PHE CE1 C 130.828 0.300 1 231 27 27 PHE CE2 C 130.828 0.300 1 232 27 27 PHE CZ C 129.835 0.300 1 233 27 27 PHE N N 118.365 0.300 1 234 28 28 GLY H H 9.152 0.030 1 235 28 28 GLY HA2 H 4.123 0.030 2 236 28 28 GLY HA3 H 5.181 0.030 2 237 28 28 GLY C C 173.509 0.300 1 238 28 28 GLY CA C 44.070 0.300 1 239 28 28 GLY N N 109.174 0.300 1 240 29 29 PRO HA H 4.198 0.030 1 241 29 29 PRO HB2 H 2.396 0.030 2 242 29 29 PRO HB3 H 2.075 0.030 2 243 29 29 PRO HD2 H 3.670 0.030 2 244 29 29 PRO HD3 H 3.900 0.030 2 245 29 29 PRO HG2 H 2.346 0.030 2 246 29 29 PRO HG3 H 2.130 0.030 2 247 29 29 PRO C C 178.985 0.300 1 248 29 29 PRO CA C 66.185 0.300 1 249 29 29 PRO CB C 31.810 0.300 1 250 29 29 PRO CD C 50.040 0.300 1 251 29 29 PRO CG C 27.978 0.300 1 252 30 30 GLY H H 8.934 0.030 1 253 30 30 GLY HA2 H 4.077 0.030 2 254 30 30 GLY HA3 H 3.283 0.030 2 255 30 30 GLY C C 172.456 0.300 1 256 30 30 GLY CA C 46.519 0.300 1 257 30 30 GLY N N 102.218 0.300 1 258 31 31 ILE H H 7.396 0.030 1 259 31 31 ILE HA H 4.369 0.030 1 260 31 31 ILE HB H 0.219 0.030 1 261 31 31 ILE HD1 H -0.468 0.030 1 262 31 31 ILE HG12 H -0.334 0.030 2 263 31 31 ILE HG13 H 0.356 0.030 2 264 31 31 ILE HG2 H 0.317 0.030 1 265 31 31 ILE C C 174.854 0.300 1 266 31 31 ILE CA C 56.668 0.300 1 267 31 31 ILE CB C 41.746 0.300 1 268 31 31 ILE CD1 C 13.118 0.300 1 269 31 31 ILE CG1 C 28.108 0.300 1 270 31 31 ILE CG2 C 17.773 0.300 1 271 31 31 ILE N N 115.741 0.300 1 272 32 32 GLU H H 7.611 0.030 1 273 32 32 GLU HA H 4.224 0.030 1 274 32 32 GLU HB2 H 2.122 0.030 2 275 32 32 GLU HB3 H 1.880 0.030 2 276 32 32 GLU HG2 H 2.436 0.030 2 277 32 32 GLU HG3 H 2.353 0.030 2 278 32 32 GLU C C 177.714 0.300 1 279 32 32 GLU CA C 56.969 0.300 1 280 32 32 GLU CB C 30.898 0.300 1 281 32 32 GLU CG C 37.112 0.300 1 282 32 32 GLU N N 120.993 0.300 1 283 33 33 GLY H H 7.865 0.030 1 284 33 33 GLY HA2 H 4.201 0.030 2 285 33 33 GLY HA3 H 3.565 0.030 2 286 33 33 GLY C C 174.003 0.300 1 287 33 33 GLY CA C 46.717 0.300 1 288 33 33 GLY N N 105.284 0.300 1 289 34 34 LYS H H 7.862 0.030 1 290 34 34 LYS HA H 4.389 0.030 1 291 34 34 LYS HB2 H 1.760 0.030 2 292 34 34 LYS HB3 H 1.621 0.030 2 293 34 34 LYS HD2 H 1.613 0.030 1 294 34 34 LYS HD3 H 1.613 0.030 1 295 34 34 LYS HE2 H 2.999 0.030 1 296 34 34 LYS HE3 H 2.999 0.030 1 297 34 34 LYS HG2 H 1.315 0.030 2 298 34 34 LYS HG3 H 1.276 0.030 2 299 34 34 LYS C C 174.397 0.300 1 300 34 34 LYS CA C 55.490 0.300 1 301 34 34 LYS CB C 33.104 0.300 1 302 34 34 LYS CD C 29.008 0.300 1 303 34 34 LYS CE C 41.932 0.300 1 304 34 34 LYS CG C 24.701 0.300 1 305 34 34 LYS N N 121.376 0.300 1 306 35 35 ASP H H 8.441 0.030 1 307 35 35 ASP HA H 3.916 0.030 1 308 35 35 ASP HB2 H 2.376 0.030 1 309 35 35 ASP HB3 H 2.376 0.030 1 310 35 35 ASP C C 173.413 0.300 1 311 35 35 ASP CA C 54.418 0.300 1 312 35 35 ASP CB C 39.835 0.300 1 313 35 35 ASP N N 122.644 0.300 1 314 36 36 VAL H H 7.631 0.030 1 315 36 36 VAL HA H 3.809 0.030 1 316 36 36 VAL HB H 1.884 0.030 1 317 36 36 VAL HG1 H 0.803 0.030 1 318 36 36 VAL HG2 H 0.624 0.030 1 319 36 36 VAL C C 174.812 0.300 1 320 36 36 VAL CA C 61.729 0.300 1 321 36 36 VAL CB C 31.292 0.300 1 322 36 36 VAL CG1 C 23.120 0.300 2 323 36 36 VAL CG2 C 21.917 0.300 2 324 36 36 VAL N N 119.999 0.300 1 325 37 37 PHE H H 8.563 0.030 1 326 37 37 PHE HA H 5.457 0.030 1 327 37 37 PHE HB2 H 3.033 0.030 2 328 37 37 PHE HB3 H 2.586 0.030 2 329 37 37 PHE HD1 H 6.997 0.030 1 330 37 37 PHE HD2 H 6.997 0.030 1 331 37 37 PHE HE1 H 7.146 0.030 1 332 37 37 PHE HE2 H 7.146 0.030 1 333 37 37 PHE HZ H 7.149 0.030 1 334 37 37 PHE C C 176.308 0.300 1 335 37 37 PHE CA C 53.961 0.300 1 336 37 37 PHE CB C 41.259 0.300 1 337 37 37 PHE CD1 C 131.506 0.300 1 338 37 37 PHE CD2 C 131.506 0.300 1 339 37 37 PHE CE1 C 130.950 0.300 1 340 37 37 PHE CE2 C 130.950 0.300 1 341 37 37 PHE CZ C 129.304 0.300 1 342 37 37 PHE N N 126.066 0.300 1 343 38 38 ARG H H 8.298 0.030 1 344 38 38 ARG HA H 3.453 0.030 1 345 38 38 ARG HB2 H 1.837 0.030 2 346 38 38 ARG HB3 H 1.237 0.030 2 347 38 38 ARG HD2 H 2.813 0.030 2 348 38 38 ARG HD3 H 3.208 0.030 2 349 38 38 ARG HG2 H 1.462 0.030 2 350 38 38 ARG HG3 H 1.083 0.030 2 351 38 38 ARG C C 176.075 0.300 1 352 38 38 ARG CA C 58.288 0.300 1 353 38 38 ARG CB C 31.056 0.300 1 354 38 38 ARG CD C 43.217 0.300 1 355 38 38 ARG CG C 27.978 0.300 1 356 38 38 ARG N N 121.909 0.300 1 357 39 39 GLU H H 8.979 0.030 1 358 39 39 GLU HA H 3.663 0.030 1 359 39 39 GLU HB2 H 2.295 0.030 1 360 39 39 GLU HB3 H 2.295 0.030 1 361 39 39 GLU HG2 H 2.164 0.030 1 362 39 39 GLU HG3 H 2.164 0.030 1 363 39 39 GLU C C 173.796 0.300 1 364 39 39 GLU CA C 58.899 0.300 1 365 39 39 GLU CB C 27.503 0.300 1 366 39 39 GLU CG C 37.725 0.300 1 367 39 39 GLU N N 117.547 0.300 1 368 40 40 ALA H H 7.852 0.030 1 369 40 40 ALA HA H 4.817 0.030 1 370 40 40 ALA HB H 1.419 0.030 1 371 40 40 ALA C C 176.485 0.300 1 372 40 40 ALA CA C 50.545 0.300 1 373 40 40 ALA CB C 20.711 0.300 1 374 40 40 ALA N N 122.881 0.300 1 375 41 41 THR H H 8.582 0.030 1 376 41 41 THR HA H 4.448 0.030 1 377 41 41 THR HB H 3.709 0.030 1 378 41 41 THR HG2 H 1.082 0.030 1 379 41 41 THR C C 173.882 0.300 1 380 41 41 THR CA C 63.596 0.300 1 381 41 41 THR CB C 69.428 0.300 1 382 41 41 THR CG2 C 22.467 0.300 1 383 41 41 THR N N 121.715 0.300 1 384 42 42 THR H H 8.892 0.030 1 385 42 42 THR HA H 4.631 0.030 1 386 42 42 THR HB H 3.821 0.030 1 387 42 42 THR HG2 H 0.308 0.030 1 388 42 42 THR C C 170.937 0.300 1 389 42 42 THR CA C 60.061 0.300 1 390 42 42 THR CB C 69.082 0.300 1 391 42 42 THR CG2 C 18.729 0.300 1 392 42 42 THR N N 125.403 0.300 1 393 43 43 ASP H H 7.698 0.030 1 394 43 43 ASP HA H 5.852 0.030 1 395 43 43 ASP HB2 H 2.645 0.030 2 396 43 43 ASP HB3 H 2.435 0.030 2 397 43 43 ASP C C 174.875 0.300 1 398 43 43 ASP CA C 52.217 0.300 1 399 43 43 ASP CB C 45.401 0.300 1 400 43 43 ASP N N 116.289 0.300 1 401 44 44 PHE H H 8.706 0.030 1 402 44 44 PHE HA H 5.055 0.030 1 403 44 44 PHE HB2 H 2.939 0.030 2 404 44 44 PHE HB3 H 2.626 0.030 2 405 44 44 PHE HD1 H 6.631 0.030 1 406 44 44 PHE HD2 H 6.631 0.030 1 407 44 44 PHE HE1 H 6.720 0.030 1 408 44 44 PHE HE2 H 6.720 0.030 1 409 44 44 PHE HZ H 6.552 0.030 1 410 44 44 PHE C C 171.883 0.300 1 411 44 44 PHE CA C 56.617 0.300 1 412 44 44 PHE CB C 41.218 0.300 1 413 44 44 PHE CD1 C 132.611 0.300 1 414 44 44 PHE CD2 C 132.611 0.300 1 415 44 44 PHE CE1 C 130.036 0.300 1 416 44 44 PHE CE2 C 130.036 0.300 1 417 44 44 PHE CZ C 128.703 0.300 1 418 44 44 PHE N N 112.345 0.300 1 419 45 45 THR H H 9.350 0.030 1 420 45 45 THR HA H 5.161 0.030 1 421 45 45 THR HB H 2.604 0.030 1 422 45 45 THR HG2 H 0.910 0.030 1 423 45 45 THR C C 173.151 0.300 1 424 45 45 THR CA C 61.322 0.300 1 425 45 45 THR CB C 71.045 0.300 1 426 45 45 THR CG2 C 21.232 0.300 1 427 45 45 THR N N 117.161 0.300 1 428 46 46 VAL H H 9.173 0.030 1 429 46 46 VAL HA H 4.483 0.030 1 430 46 46 VAL HB H 2.080 0.030 1 431 46 46 VAL HG1 H 0.907 0.030 1 432 46 46 VAL HG2 H 0.907 0.030 1 433 46 46 VAL C C 174.823 0.300 1 434 46 46 VAL CA C 61.020 0.300 1 435 46 46 VAL CB C 33.696 0.300 1 436 46 46 VAL CG1 C 21.220 0.300 1 437 46 46 VAL CG2 C 21.220 0.300 1 438 46 46 VAL N N 123.551 0.300 1 439 47 47 ASP H H 9.631 0.030 1 440 47 47 ASP HA H 4.987 0.030 1 441 47 47 ASP HB2 H 3.253 0.030 2 442 47 47 ASP HB3 H 2.492 0.030 2 443 47 47 ASP C C 175.594 0.300 1 444 47 47 ASP CA C 53.166 0.300 1 445 47 47 ASP CB C 41.500 0.300 1 446 47 47 ASP N N 127.037 0.300 1 447 48 48 SER H H 8.831 0.030 1 448 48 48 SER HA H 4.893 0.030 1 449 48 48 SER HB2 H 3.840 0.030 2 450 48 48 SER HB3 H 4.291 0.030 2 451 48 48 SER C C 174.525 0.300 1 452 48 48 SER CA C 56.067 0.300 1 453 48 48 SER CB C 64.799 0.300 1 454 48 48 SER N N 119.462 0.300 1 455 49 49 ARG H H 8.377 0.030 1 456 49 49 ARG HA H 5.045 0.030 1 457 49 49 ARG HB2 H 1.770 0.030 2 458 49 49 ARG HB3 H 2.442 0.030 2 459 49 49 ARG HD2 H 3.210 0.030 2 460 49 49 ARG HD3 H 3.190 0.030 2 461 49 49 ARG HG2 H 2.171 0.030 1 462 49 49 ARG HG3 H 2.171 0.030 1 463 49 49 ARG C C 175.500 0.300 1 464 49 49 ARG CA C 60.049 0.300 1 465 49 49 ARG CB C 28.486 0.300 1 466 49 49 ARG CD C 44.026 0.300 1 467 49 49 ARG CG C 28.864 0.300 1 468 49 49 ARG N N 124.233 0.300 1 469 50 50 PRO HA H 4.236 0.030 1 470 50 50 PRO HB2 H 2.271 0.030 2 471 50 50 PRO HB3 H 1.242 0.030 2 472 50 50 PRO HD2 H 2.953 0.030 2 473 50 50 PRO HD3 H 3.701 0.030 2 474 50 50 PRO HG2 H 1.943 0.030 2 475 50 50 PRO HG3 H 1.811 0.030 2 476 50 50 PRO C C 176.173 0.300 1 477 50 50 PRO CA C 65.380 0.300 1 478 50 50 PRO CB C 31.734 0.300 1 479 50 50 PRO CD C 51.245 0.300 1 480 50 50 PRO CG C 28.553 0.300 1 481 51 51 LEU H H 7.912 0.030 1 482 51 51 LEU HA H 4.318 0.030 1 483 51 51 LEU HB2 H 1.371 0.030 1 484 51 51 LEU HB3 H 1.371 0.030 1 485 51 51 LEU HD1 H 0.217 0.030 1 486 51 51 LEU HD2 H 0.471 0.030 1 487 51 51 LEU HG H 1.156 0.030 1 488 51 51 LEU C C 176.681 0.300 1 489 51 51 LEU CA C 56.071 0.300 1 490 51 51 LEU CB C 43.822 0.300 1 491 51 51 LEU CD1 C 25.325 0.300 2 492 51 51 LEU CD2 C 23.896 0.300 2 493 51 51 LEU CG C 28.257 0.300 1 494 51 51 LEU N N 115.027 0.300 1 495 52 52 THR H H 7.996 0.030 1 496 52 52 THR HA H 4.601 0.030 1 497 52 52 THR HB H 4.227 0.030 1 498 52 52 THR HG2 H 1.388 0.030 1 499 52 52 THR C C 170.971 0.300 1 500 52 52 THR CA C 58.872 0.300 1 501 52 52 THR CB C 69.514 0.300 1 502 52 52 THR CG2 C 20.448 0.300 1 503 52 52 THR N N 114.474 0.300 1 504 53 53 GLN H H 8.653 0.030 1 505 53 53 GLN HA H 4.564 0.030 1 506 53 53 GLN HB2 H 2.325 0.030 2 507 53 53 GLN HB3 H 1.791 0.030 2 508 53 53 GLN HE21 H 6.820 0.030 2 509 53 53 GLN HE22 H 7.610 0.030 2 510 53 53 GLN HG2 H 2.328 0.030 1 511 53 53 GLN HG3 H 2.328 0.030 1 512 53 53 GLN C C 175.124 0.300 1 513 53 53 GLN CA C 55.093 0.300 1 514 53 53 GLN CB C 29.249 0.300 1 515 53 53 GLN CG C 35.034 0.300 1 516 53 53 GLN N N 121.519 0.300 1 517 53 53 GLN NE2 N 112.926 0.300 1 518 54 54 VAL H H 7.665 0.030 1 519 54 54 VAL HA H 4.456 0.030 1 520 54 54 VAL HB H 2.239 0.030 1 521 54 54 VAL HG1 H 0.809 0.030 1 522 54 54 VAL HG2 H 0.743 0.030 1 523 54 54 VAL C C 176.206 0.300 1 524 54 54 VAL CA C 59.810 0.300 1 525 54 54 VAL CB C 33.599 0.300 1 526 54 54 VAL CG1 C 21.279 0.300 2 527 54 54 VAL CG2 C 18.021 0.300 2 528 54 54 VAL N N 108.872 0.300 1 529 55 55 GLY H H 7.335 0.030 1 530 55 55 GLY HA2 H 4.574 0.030 2 531 55 55 GLY HA3 H 3.938 0.030 2 532 55 55 GLY C C 174.618 0.300 1 533 55 55 GLY CA C 45.927 0.300 1 534 55 55 GLY N N 108.543 0.300 1 535 56 56 GLY H H 9.589 0.030 1 536 56 56 GLY HA2 H 4.351 0.030 2 537 56 56 GLY HA3 H 3.660 0.030 2 538 56 56 GLY C C 175.330 0.300 1 539 56 56 GLY CA C 42.901 0.300 1 540 56 56 GLY N N 113.084 0.300 1 541 57 57 ASP HA H 4.673 0.030 1 542 57 57 ASP HB2 H 2.593 0.030 2 543 57 57 ASP HB3 H 2.407 0.030 2 544 57 57 ASP C C 175.409 0.300 1 545 57 57 ASP CA C 54.065 0.300 1 546 57 57 ASP CB C 38.671 0.300 1 547 58 58 HIS H H 7.848 0.030 1 548 58 58 HIS HA H 4.530 0.030 1 549 58 58 HIS HB2 H 2.012 0.030 2 550 58 58 HIS HB3 H 1.508 0.030 2 551 58 58 HIS HD2 H 6.887 0.030 1 552 58 58 HIS HE1 H 8.515 0.030 1 553 58 58 HIS C C 175.216 0.300 1 554 58 58 HIS CA C 56.177 0.300 1 555 58 58 HIS CB C 32.651 0.300 1 556 58 58 HIS CD2 C 120.242 0.300 1 557 58 58 HIS CE1 C 137.071 0.300 1 558 58 58 HIS N N 118.615 0.300 1 559 59 59 ILE H H 7.852 0.030 1 560 59 59 ILE HA H 4.943 0.030 1 561 59 59 ILE HB H 1.295 0.030 1 562 59 59 ILE HD1 H 0.532 0.030 1 563 59 59 ILE HG12 H 0.176 0.030 2 564 59 59 ILE HG13 H 0.412 0.030 2 565 59 59 ILE HG2 H 0.438 0.030 1 566 59 59 ILE C C 175.795 0.300 1 567 59 59 ILE CA C 57.170 0.300 1 568 59 59 ILE CB C 37.144 0.300 1 569 59 59 ILE CD1 C 10.766 0.300 1 570 59 59 ILE CG1 C 25.610 0.300 1 571 59 59 ILE CG2 C 16.990 0.300 1 572 59 59 ILE N N 120.284 0.300 1 573 60 60 LYS H H 8.092 0.030 1 574 60 60 LYS HA H 4.376 0.030 1 575 60 60 LYS HB2 H 1.560 0.030 2 576 60 60 LYS HB3 H 1.469 0.030 2 577 60 60 LYS HD2 H 1.603 0.030 2 578 60 60 LYS HD3 H 1.446 0.030 2 579 60 60 LYS HE2 H 2.830 0.030 2 580 60 60 LYS HE3 H 2.889 0.030 2 581 60 60 LYS HG2 H 1.214 0.030 2 582 60 60 LYS HG3 H 1.258 0.030 2 583 60 60 LYS C C 173.728 0.300 1 584 60 60 LYS CA C 55.245 0.300 1 585 60 60 LYS CB C 36.358 0.300 1 586 60 60 LYS CD C 29.303 0.300 1 587 60 60 LYS CE C 41.999 0.300 1 588 60 60 LYS CG C 25.186 0.300 1 589 60 60 LYS N N 125.870 0.300 1 590 61 61 ALA H H 8.397 0.030 1 591 61 61 ALA HA H 5.529 0.030 1 592 61 61 ALA HB H 1.119 0.030 1 593 61 61 ALA C C 174.728 0.300 1 594 61 61 ALA CA C 50.104 0.300 1 595 61 61 ALA CB C 22.725 0.300 1 596 61 61 ALA N N 122.449 0.300 1 597 62 62 HIS H H 8.748 0.030 1 598 62 62 HIS HA H 4.834 0.030 1 599 62 62 HIS HB2 H 2.991 0.030 2 600 62 62 HIS HB3 H 2.923 0.030 2 601 62 62 HIS HD2 H 7.062 0.030 1 602 62 62 HIS HE1 H 7.983 0.030 1 603 62 62 HIS C C 172.874 0.300 1 604 62 62 HIS CA C 55.227 0.300 1 605 62 62 HIS CB C 32.763 0.300 1 606 62 62 HIS CD2 C 120.896 0.300 1 607 62 62 HIS CE1 C 136.807 0.300 1 608 62 62 HIS N N 119.553 0.300 1 609 63 63 ILE H H 8.258 0.030 1 610 63 63 ILE HA H 4.765 0.030 1 611 63 63 ILE HB H 1.790 0.030 1 612 63 63 ILE HD1 H -0.276 0.030 1 613 63 63 ILE HG12 H 0.531 0.030 2 614 63 63 ILE HG13 H 1.060 0.030 2 615 63 63 ILE HG2 H 0.595 0.030 1 616 63 63 ILE C C 173.688 0.300 1 617 63 63 ILE CA C 60.523 0.300 1 618 63 63 ILE CB C 39.607 0.300 1 619 63 63 ILE CD1 C 12.998 0.300 1 620 63 63 ILE CG1 C 28.171 0.300 1 621 63 63 ILE CG2 C 17.319 0.300 1 622 63 63 ILE N N 125.041 0.300 1 623 64 64 ALA H H 8.932 0.030 1 624 64 64 ALA HA H 4.713 0.030 1 625 64 64 ALA HB H 1.349 0.030 1 626 64 64 ALA C C 176.426 0.300 1 627 64 64 ALA CA C 50.493 0.300 1 628 64 64 ALA CB C 21.055 0.300 1 629 64 64 ALA N N 130.234 0.300 1 630 65 65 ASN H H 8.493 0.030 1 631 65 65 ASN HA H 4.165 0.030 1 632 65 65 ASN HB2 H 2.357 0.030 2 633 65 65 ASN HB3 H 2.231 0.030 2 634 65 65 ASN HD21 H 4.951 0.030 2 635 65 65 ASN HD22 H 6.661 0.030 2 636 65 65 ASN C C 175.524 0.300 1 637 65 65 ASN CA C 50.368 0.300 1 638 65 65 ASN CB C 35.487 0.300 1 639 65 65 ASN N N 122.808 0.300 1 640 65 65 ASN ND2 N 107.926 0.300 1 641 66 66 PRO HA H 4.136 0.030 1 642 66 66 PRO HB2 H 2.321 0.030 2 643 66 66 PRO HB3 H 1.883 0.030 2 644 66 66 PRO HD2 H 1.866 0.030 2 645 66 66 PRO HD3 H 2.776 0.030 2 646 66 66 PRO HG2 H 1.801 0.030 2 647 66 66 PRO HG3 H 2.069 0.030 2 648 66 66 PRO C C 178.474 0.300 1 649 66 66 PRO CA C 65.643 0.300 1 650 66 66 PRO CB C 31.362 0.300 1 651 66 66 PRO CD C 48.799 0.300 1 652 66 66 PRO CG C 26.669 0.300 1 653 67 67 SER H H 8.572 0.030 1 654 67 67 SER HA H 4.099 0.030 1 655 67 67 SER HB2 H 3.973 0.030 2 656 67 67 SER HB3 H 3.928 0.030 2 657 67 67 SER C C 176.080 0.300 1 658 67 67 SER CA C 59.940 0.300 1 659 67 67 SER CB C 63.076 0.300 1 660 67 67 SER N N 109.967 0.300 1 661 68 68 GLY H H 7.963 0.030 1 662 68 68 GLY HA2 H 3.623 0.030 2 663 68 68 GLY HA3 H 4.534 0.030 2 664 68 68 GLY C C 174.765 0.300 1 665 68 68 GLY CA C 44.661 0.300 1 666 68 68 GLY N N 111.280 0.300 1 667 69 69 ALA H H 7.849 0.030 1 668 69 69 ALA HA H 4.515 0.030 1 669 69 69 ALA HB H 1.531 0.030 1 670 69 69 ALA C C 174.396 0.300 1 671 69 69 ALA CA C 51.874 0.300 1 672 69 69 ALA CB C 18.933 0.300 1 673 69 69 ALA N N 123.007 0.300 1 674 70 70 SER H H 8.201 0.030 1 675 70 70 SER HA H 5.333 0.030 1 676 70 70 SER HB2 H 3.774 0.030 1 677 70 70 SER HB3 H 3.774 0.030 1 678 70 70 SER C C 174.487 0.300 1 679 70 70 SER CA C 57.072 0.300 1 680 70 70 SER CB C 65.945 0.300 1 681 70 70 SER N N 113.215 0.300 1 682 71 71 THR H H 7.589 0.030 1 683 71 71 THR HA H 4.765 0.030 1 684 71 71 THR HB H 3.652 0.030 1 685 71 71 THR HG2 H 1.356 0.030 1 686 71 71 THR C C 173.944 0.300 1 687 71 71 THR CA C 62.459 0.300 1 688 71 71 THR CB C 70.562 0.300 1 689 71 71 THR CG2 C 21.767 0.300 1 690 71 71 THR N N 118.882 0.300 1 691 72 72 GLU H H 9.230 0.030 1 692 72 72 GLU HA H 3.984 0.030 1 693 72 72 GLU HB2 H 1.924 0.030 2 694 72 72 GLU HB3 H 1.810 0.030 2 695 72 72 GLU HG2 H 2.137 0.030 2 696 72 72 GLU HG3 H 1.886 0.030 2 697 72 72 GLU C C 175.148 0.300 1 698 72 72 GLU CA C 57.418 0.300 1 699 72 72 GLU CB C 30.195 0.300 1 700 72 72 GLU CG C 36.207 0.300 1 701 72 72 GLU N N 129.127 0.300 1 702 73 73 CYS H H 8.248 0.030 1 703 73 73 CYS HA H 5.221 0.030 1 704 73 73 CYS HB2 H 2.595 0.030 2 705 73 73 CYS HB3 H 2.361 0.030 2 706 73 73 CYS C C 173.569 0.300 1 707 73 73 CYS CA C 56.382 0.300 1 708 73 73 CYS CB C 30.885 0.300 1 709 73 73 CYS N N 118.244 0.300 1 710 74 74 PHE H H 9.081 0.030 1 711 74 74 PHE HA H 4.762 0.030 1 712 74 74 PHE HB2 H 3.081 0.030 2 713 74 74 PHE HB3 H 2.808 0.030 2 714 74 74 PHE HD1 H 7.209 0.030 1 715 74 74 PHE HD2 H 7.209 0.030 1 716 74 74 PHE HE1 H 7.281 0.030 1 717 74 74 PHE HE2 H 7.281 0.030 1 718 74 74 PHE HZ H 7.195 0.030 1 719 74 74 PHE C C 175.483 0.300 1 720 74 74 PHE CA C 57.409 0.300 1 721 74 74 PHE CB C 40.765 0.300 1 722 74 74 PHE CD1 C 132.083 0.300 1 723 74 74 PHE CD2 C 132.083 0.300 1 724 74 74 PHE CE1 C 131.079 0.300 1 725 74 74 PHE CE2 C 131.079 0.300 1 726 74 74 PHE CZ C 129.696 0.300 1 727 74 74 PHE N N 121.901 0.300 1 728 75 75 VAL H H 9.119 0.030 1 729 75 75 VAL HA H 4.830 0.030 1 730 75 75 VAL HB H 2.076 0.030 1 731 75 75 VAL HG1 H 0.831 0.030 1 732 75 75 VAL HG2 H 0.831 0.030 1 733 75 75 VAL C C 176.179 0.300 1 734 75 75 VAL CA C 61.843 0.300 1 735 75 75 VAL CB C 33.255 0.300 1 736 75 75 VAL CG1 C 21.449 0.300 1 737 75 75 VAL CG2 C 21.449 0.300 1 738 75 75 VAL N N 128.451 0.300 1 739 76 76 THR H H 9.851 0.030 1 740 76 76 THR HA H 4.452 0.030 1 741 76 76 THR HB H 3.963 0.030 1 742 76 76 THR HG2 H 1.059 0.030 1 743 76 76 THR C C 172.735 0.300 1 744 76 76 THR CA C 62.368 0.300 1 745 76 76 THR CB C 70.705 0.300 1 746 76 76 THR CG2 C 20.880 0.300 1 747 76 76 THR N N 126.669 0.300 1 748 77 77 ASP H H 8.903 0.030 1 749 77 77 ASP HA H 4.410 0.030 1 750 77 77 ASP HB2 H 3.008 0.030 2 751 77 77 ASP HB3 H 2.870 0.030 2 752 77 77 ASP C C 176.192 0.300 1 753 77 77 ASP CA C 52.891 0.300 1 754 77 77 ASP CB C 41.259 0.300 1 755 77 77 ASP N N 126.882 0.300 1 756 78 78 ASN H H 7.343 0.030 1 757 78 78 ASN HA H 4.500 0.030 1 758 78 78 ASN HB2 H 2.832 0.030 2 759 78 78 ASN HB3 H 2.669 0.030 2 760 78 78 ASN HD21 H 6.547 0.030 2 761 78 78 ASN HD22 H 7.409 0.030 2 762 78 78 ASN C C 174.129 0.300 1 763 78 78 ASN CA C 54.438 0.300 1 764 78 78 ASN CB C 37.635 0.300 1 765 78 78 ASN N N 124.715 0.300 1 766 78 78 ASN ND2 N 112.127 0.300 1 767 79 79 ALA H H 9.177 0.030 1 768 79 79 ALA HA H 3.845 0.030 1 769 79 79 ALA HB H 1.377 0.030 1 770 79 79 ALA C C 175.078 0.300 1 771 79 79 ALA CA C 53.125 0.300 1 772 79 79 ALA CB C 16.153 0.300 1 773 79 79 ALA N N 120.864 0.300 1 774 80 80 ASP H H 7.650 0.030 1 775 80 80 ASP HA H 4.752 0.030 1 776 80 80 ASP HB2 H 2.917 0.030 2 777 80 80 ASP HB3 H 2.351 0.030 2 778 80 80 ASP C C 176.522 0.300 1 779 80 80 ASP CA C 52.359 0.300 1 780 80 80 ASP CB C 41.382 0.300 1 781 80 80 ASP N N 114.866 0.300 1 782 81 81 GLY H H 8.750 0.030 1 783 81 81 GLY HA2 H 4.830 0.030 2 784 81 81 GLY HA3 H 3.296 0.030 2 785 81 81 GLY C C 173.981 0.300 1 786 81 81 GLY CA C 46.955 0.300 1 787 81 81 GLY N N 108.449 0.300 1 788 82 82 THR H H 8.593 0.030 1 789 82 82 THR HA H 5.740 0.030 1 790 82 82 THR HB H 4.052 0.030 1 791 82 82 THR HG2 H 1.108 0.030 1 792 82 82 THR C C 174.504 0.300 1 793 82 82 THR CA C 60.136 0.300 1 794 82 82 THR CB C 72.603 0.300 1 795 82 82 THR CG2 C 20.947 0.300 1 796 82 82 THR N N 111.407 0.300 1 797 83 83 TYR H H 9.013 0.030 1 798 83 83 TYR HA H 5.292 0.030 1 799 83 83 TYR HB2 H 2.647 0.030 2 800 83 83 TYR HB3 H 2.506 0.030 2 801 83 83 TYR HD1 H 6.848 0.030 1 802 83 83 TYR HD2 H 6.848 0.030 1 803 83 83 TYR C C 174.441 0.300 1 804 83 83 TYR CA C 56.604 0.300 1 805 83 83 TYR CB C 42.018 0.300 1 806 83 83 TYR CD1 C 132.889 0.300 1 807 83 83 TYR CD2 C 132.889 0.300 1 808 83 83 TYR N N 119.935 0.300 1 809 84 84 GLN H H 8.887 0.030 1 810 84 84 GLN HA H 5.059 0.030 1 811 84 84 GLN HB2 H 2.005 0.030 1 812 84 84 GLN HB3 H 2.005 0.030 1 813 84 84 GLN HE21 H 7.446 0.030 2 814 84 84 GLN HE22 H 6.696 0.030 2 815 84 84 GLN HG2 H 2.216 0.030 1 816 84 84 GLN HG3 H 2.216 0.030 1 817 84 84 GLN C C 174.610 0.300 1 818 84 84 GLN CA C 54.069 0.300 1 819 84 84 GLN CB C 31.785 0.300 1 820 84 84 GLN CG C 34.253 0.300 1 821 84 84 GLN N N 122.565 0.300 1 822 84 84 GLN NE2 N 111.329 0.300 1 823 85 85 VAL H H 8.954 0.030 1 824 85 85 VAL HA H 4.567 0.030 1 825 85 85 VAL HB H -0.056 0.030 1 826 85 85 VAL HG1 H 0.360 0.030 1 827 85 85 VAL HG2 H 0.274 0.030 1 828 85 85 VAL C C 173.851 0.300 1 829 85 85 VAL CA C 60.946 0.300 1 830 85 85 VAL CB C 31.597 0.300 1 831 85 85 VAL CG1 C 22.211 0.300 2 832 85 85 VAL CG2 C 20.305 0.300 2 833 85 85 VAL N N 126.470 0.300 1 834 86 86 GLU H H 8.687 0.030 1 835 86 86 GLU HA H 5.383 0.030 1 836 86 86 GLU HB2 H 1.978 0.030 1 837 86 86 GLU HB3 H 1.978 0.030 1 838 86 86 GLU HG2 H 2.221 0.030 2 839 86 86 GLU HG3 H 2.120 0.030 2 840 86 86 GLU C C 175.322 0.300 1 841 86 86 GLU CA C 54.063 0.300 1 842 86 86 GLU CB C 35.088 0.300 1 843 86 86 GLU CG C 37.852 0.300 1 844 86 86 GLU N N 124.856 0.300 1 845 87 87 TYR H H 8.435 0.030 1 846 87 87 TYR HA H 5.040 0.030 1 847 87 87 TYR HB2 H 3.170 0.030 2 848 87 87 TYR HB3 H 2.679 0.030 2 849 87 87 TYR HD1 H 6.446 0.030 1 850 87 87 TYR HD2 H 6.446 0.030 1 851 87 87 TYR HE1 H 6.192 0.030 1 852 87 87 TYR HE2 H 6.192 0.030 1 853 87 87 TYR C C 172.744 0.300 1 854 87 87 TYR CA C 57.313 0.300 1 855 87 87 TYR CB C 41.401 0.300 1 856 87 87 TYR CD1 C 133.052 0.300 1 857 87 87 TYR CD2 C 133.052 0.300 1 858 87 87 TYR CE1 C 116.161 0.300 1 859 87 87 TYR CE2 C 116.161 0.300 1 860 87 87 TYR N N 117.770 0.300 1 861 88 88 THR H H 9.004 0.030 1 862 88 88 THR HA H 4.952 0.030 1 863 88 88 THR HB H 4.013 0.030 1 864 88 88 THR HG2 H 0.841 0.030 1 865 88 88 THR C C 172.296 0.300 1 866 88 88 THR CA C 58.641 0.300 1 867 88 88 THR CB C 70.100 0.300 1 868 88 88 THR CG2 C 20.198 0.300 1 869 88 88 THR N N 117.638 0.300 1 870 89 89 PRO HA H 4.688 0.030 1 871 89 89 PRO HB2 H 1.906 0.030 2 872 89 89 PRO HB3 H 1.840 0.030 2 873 89 89 PRO HD2 H 3.509 0.030 2 874 89 89 PRO HD3 H 4.370 0.030 2 875 89 89 PRO HG2 H 2.047 0.030 2 876 89 89 PRO HG3 H 1.632 0.030 2 877 89 89 PRO C C 176.517 0.300 1 878 89 89 PRO CA C 63.005 0.300 1 879 89 89 PRO CB C 33.379 0.300 1 880 89 89 PRO CD C 50.284 0.300 1 881 89 89 PRO CG C 27.282 0.300 1 882 90 90 PHE H H 9.503 0.030 1 883 90 90 PHE HA H 4.920 0.030 1 884 90 90 PHE HB2 H 3.407 0.030 2 885 90 90 PHE HB3 H 3.001 0.030 2 886 90 90 PHE HD1 H 7.332 0.030 1 887 90 90 PHE HD2 H 7.332 0.030 1 888 90 90 PHE HE1 H 7.567 0.030 1 889 90 90 PHE HE2 H 7.567 0.030 1 890 90 90 PHE HZ H 7.300 0.030 1 891 90 90 PHE C C 174.735 0.300 1 892 90 90 PHE CA C 56.529 0.300 1 893 90 90 PHE CB C 39.817 0.300 1 894 90 90 PHE CD1 C 133.046 0.300 1 895 90 90 PHE CD2 C 133.046 0.300 1 896 90 90 PHE CE1 C 132.083 0.300 1 897 90 90 PHE CE2 C 132.083 0.300 1 898 90 90 PHE CZ C 129.620 0.300 1 899 90 90 PHE N N 118.699 0.300 1 900 91 91 GLU H H 7.645 0.030 1 901 91 91 GLU HA H 4.608 0.030 1 902 91 91 GLU HB2 H 1.659 0.030 2 903 91 91 GLU HB3 H 2.066 0.030 2 904 91 91 GLU HG2 H 1.916 0.030 2 905 91 91 GLU HG3 H 2.186 0.030 2 906 91 91 GLU C C 174.310 0.300 1 907 91 91 GLU CA C 54.980 0.300 1 908 91 91 GLU CB C 32.404 0.300 1 909 91 91 GLU CG C 36.442 0.300 1 910 91 91 GLU N N 124.552 0.300 1 911 92 92 LYS H H 8.312 0.030 1 912 92 92 LYS HA H 4.348 0.030 1 913 92 92 LYS HB2 H 1.811 0.030 2 914 92 92 LYS HB3 H 1.599 0.030 2 915 92 92 LYS HD2 H 1.687 0.030 1 916 92 92 LYS HD3 H 1.687 0.030 1 917 92 92 LYS HE2 H 3.025 0.030 2 918 92 92 LYS HG2 H 1.358 0.030 1 919 92 92 LYS HG3 H 1.358 0.030 1 920 92 92 LYS C C 175.771 0.300 1 921 92 92 LYS CA C 54.945 0.300 1 922 92 92 LYS CB C 34.377 0.300 1 923 92 92 LYS CD C 29.756 0.300 1 924 92 92 LYS CE C 41.890 0.300 1 925 92 92 LYS CG C 24.687 0.300 1 926 92 92 LYS N N 116.301 0.300 1 927 93 93 GLY H H 8.829 0.030 1 928 93 93 GLY HA2 H 4.626 0.030 2 929 93 93 GLY HA3 H 3.829 0.030 2 930 93 93 GLY C C 175.658 0.300 1 931 93 93 GLY CA C 43.700 0.300 1 932 93 93 GLY N N 108.110 0.300 1 933 94 94 LEU H H 8.947 0.030 1 934 94 94 LEU HA H 4.463 0.030 1 935 94 94 LEU HB2 H 1.669 0.030 2 936 94 94 LEU HB3 H 1.462 0.030 2 937 94 94 LEU HD1 H 0.785 0.030 1 938 94 94 LEU HD2 H 0.783 0.030 1 939 94 94 LEU HG H 1.384 0.030 1 940 94 94 LEU C C 175.461 0.300 1 941 94 94 LEU CA C 56.353 0.300 1 942 94 94 LEU CB C 41.853 0.300 1 943 94 94 LEU CD1 C 23.949 0.300 2 944 94 94 LEU CD2 C 24.801 0.300 2 945 94 94 LEU CG C 26.859 0.300 1 946 94 94 LEU N N 125.907 0.300 1 947 95 95 HIS H H 9.654 0.030 1 948 95 95 HIS HA H 4.656 0.030 1 949 95 95 HIS HB2 H 2.884 0.030 2 950 95 95 HIS HB3 H 2.652 0.030 2 951 95 95 HIS HD2 H 6.474 0.030 1 952 95 95 HIS HE1 H 7.136 0.030 1 953 95 95 HIS C C 173.689 0.300 1 954 95 95 HIS CA C 55.789 0.300 1 955 95 95 HIS CB C 30.139 0.300 1 956 95 95 HIS CD2 C 128.217 0.300 1 957 95 95 HIS CE1 C 138.778 0.300 1 958 95 95 HIS N N 128.324 0.300 1 959 96 96 VAL H H 8.395 0.030 1 960 96 96 VAL HA H 4.804 0.030 1 961 96 96 VAL HB H 1.899 0.030 1 962 96 96 VAL HG1 H 0.793 0.030 1 963 96 96 VAL HG2 H 0.763 0.030 1 964 96 96 VAL C C 175.528 0.300 1 965 96 96 VAL CA C 61.808 0.300 1 966 96 96 VAL CB C 33.666 0.300 1 967 96 96 VAL CG1 C 22.440 0.300 2 968 96 96 VAL CG2 C 20.832 0.300 2 969 96 96 VAL N N 121.273 0.300 1 970 97 97 VAL H H 9.591 0.030 1 971 97 97 VAL HA H 4.765 0.030 1 972 97 97 VAL HB H 2.049 0.030 1 973 97 97 VAL HG1 H 0.564 0.030 1 974 97 97 VAL HG2 H 0.578 0.030 1 975 97 97 VAL C C 175.028 0.300 1 976 97 97 VAL CA C 61.017 0.300 1 977 97 97 VAL CB C 33.517 0.300 1 978 97 97 VAL CG1 C 19.845 0.300 2 979 97 97 VAL CG2 C 19.338 0.300 2 980 97 97 VAL N N 130.373 0.300 1 981 98 98 GLU H H 9.258 0.030 1 982 98 98 GLU HA H 4.858 0.030 1 983 98 98 GLU HB2 H 1.871 0.030 1 984 98 98 GLU HB3 H 1.871 0.030 1 985 98 98 GLU HG2 H 2.111 0.030 2 986 98 98 GLU HG3 H 2.005 0.030 2 987 98 98 GLU C C 176.062 0.300 1 988 98 98 GLU CA C 54.822 0.300 1 989 98 98 GLU CB C 32.651 0.300 1 990 98 98 GLU CG C 37.070 0.300 1 991 98 98 GLU N N 128.028 0.300 1 992 99 99 VAL H H 8.359 0.030 1 993 99 99 VAL HA H 5.090 0.030 1 994 99 99 VAL HB H 1.939 0.030 1 995 99 99 VAL HG1 H 0.977 0.030 1 996 99 99 VAL HG2 H 0.971 0.030 1 997 99 99 VAL C C 174.768 0.300 1 998 99 99 VAL CA C 60.849 0.300 1 999 99 99 VAL CB C 35.040 0.300 1 1000 99 99 VAL CG1 C 22.008 0.300 2 1001 99 99 VAL CG2 C 21.618 0.300 2 1002 99 99 VAL N N 122.876 0.300 1 1003 100 100 THR H H 8.898 0.030 1 1004 100 100 THR HA H 4.963 0.030 1 1005 100 100 THR HB H 3.546 0.030 1 1006 100 100 THR HG2 H 0.793 0.030 1 1007 100 100 THR C C 172.495 0.300 1 1008 100 100 THR CA C 58.390 0.300 1 1009 100 100 THR CB C 72.624 0.300 1 1010 100 100 THR CG2 C 20.680 0.300 1 1011 100 100 THR N N 115.378 0.300 1 1012 101 101 TYR H H 8.911 0.030 1 1013 101 101 TYR HA H 4.843 0.030 1 1014 101 101 TYR HB2 H 2.912 0.030 2 1015 101 101 TYR HB3 H 2.038 0.030 2 1016 101 101 TYR HD1 H 6.663 0.030 1 1017 101 101 TYR HD2 H 6.663 0.030 1 1018 101 101 TYR HE1 H 6.386 0.030 1 1019 101 101 TYR HE2 H 6.386 0.030 1 1020 101 101 TYR C C 175.091 0.300 1 1021 101 101 TYR CA C 56.185 0.300 1 1022 101 101 TYR CB C 41.160 0.300 1 1023 101 101 TYR CD1 C 132.603 0.300 1 1024 101 101 TYR CD2 C 132.603 0.300 1 1025 101 101 TYR CE1 C 117.998 0.300 1 1026 101 101 TYR CE2 C 117.998 0.300 1 1027 101 101 TYR N N 122.444 0.300 1 1028 102 102 ASP H H 9.392 0.030 1 1029 102 102 ASP HA H 4.071 0.030 1 1030 102 102 ASP HB2 H 2.844 0.030 1 1031 102 102 ASP HB3 H 2.844 0.030 1 1032 102 102 ASP C C 174.742 0.300 1 1033 102 102 ASP CA C 55.438 0.300 1 1034 102 102 ASP CB C 38.056 0.300 1 1035 102 102 ASP N N 130.156 0.300 1 1036 103 103 ASP H H 8.757 0.030 1 1037 103 103 ASP HA H 3.915 0.030 1 1038 103 103 ASP HB2 H 3.039 0.030 2 1039 103 103 ASP HB3 H 2.844 0.030 2 1040 103 103 ASP C C 174.709 0.300 1 1041 103 103 ASP CA C 56.573 0.300 1 1042 103 103 ASP CB C 39.521 0.300 1 1043 103 103 ASP N N 105.167 0.300 1 1044 104 104 VAL H H 8.364 0.030 1 1045 104 104 VAL HA H 4.520 0.030 1 1046 104 104 VAL HB H 2.321 0.030 1 1047 104 104 VAL HG1 H 1.118 0.030 1 1048 104 104 VAL HG2 H 1.066 0.030 1 1049 104 104 VAL C C 174.335 0.300 1 1050 104 104 VAL CA C 59.959 0.300 1 1051 104 104 VAL CB C 33.357 0.300 1 1052 104 104 VAL CG1 C 21.116 0.300 2 1053 104 104 VAL CG2 C 22.055 0.300 2 1054 104 104 VAL N N 125.270 0.300 1 1055 105 105 PRO HA H 4.512 0.030 1 1056 105 105 PRO HB2 H 1.864 0.030 2 1057 105 105 PRO HB3 H 2.327 0.030 2 1058 105 105 PRO HD2 H 3.686 0.030 2 1059 105 105 PRO HD3 H 3.917 0.030 2 1060 105 105 PRO HG2 H 1.833 0.030 2 1061 105 105 PRO HG3 H 2.070 0.030 2 1062 105 105 PRO C C 177.663 0.300 1 1063 105 105 PRO CA C 63.639 0.300 1 1064 105 105 PRO CB C 32.532 0.300 1 1065 105 105 PRO CD C 51.422 0.300 1 1066 105 105 PRO CG C 27.979 0.300 1 1067 106 106 ILE H H 7.812 0.030 1 1068 106 106 ILE HA H 4.421 0.030 1 1069 106 106 ILE HB H 2.058 0.030 1 1070 106 106 ILE HD1 H 0.887 0.030 1 1071 106 106 ILE HG12 H 1.378 0.030 2 1072 106 106 ILE HG13 H 1.527 0.030 2 1073 106 106 ILE HG2 H 0.939 0.030 1 1074 106 106 ILE C C 172.587 0.300 1 1075 106 106 ILE CA C 60.436 0.300 1 1076 106 106 ILE CB C 35.781 0.300 1 1077 106 106 ILE CD1 C 15.589 0.300 1 1078 106 106 ILE CG1 C 25.604 0.300 1 1079 106 106 ILE CG2 C 18.571 0.300 1 1080 106 106 ILE N N 118.941 0.300 1 1081 107 107 PRO HA H 4.133 0.030 1 1082 107 107 PRO HB2 H 2.251 0.030 2 1083 107 107 PRO HB3 H 1.778 0.030 2 1084 107 107 PRO HD2 H 3.426 0.030 2 1085 107 107 PRO HD3 H 3.871 0.030 2 1086 107 107 PRO HG2 H 2.267 0.030 2 1087 107 107 PRO HG3 H 1.917 0.030 2 1088 107 107 PRO C C 176.655 0.300 1 1089 107 107 PRO CA C 65.152 0.300 1 1090 107 107 PRO CB C 31.251 0.300 1 1091 107 107 PRO CD C 51.479 0.300 1 1092 107 107 PRO CG C 29.450 0.300 1 1093 108 108 ASN H H 8.503 0.030 1 1094 108 108 ASN HA H 3.836 0.030 1 1095 108 108 ASN HB2 H 3.299 0.030 2 1096 108 108 ASN HB3 H 2.631 0.030 2 1097 108 108 ASN HD21 H 7.039 0.030 2 1098 108 108 ASN HD22 H 7.542 0.030 2 1099 108 108 ASN C C 171.631 0.300 1 1100 108 108 ASN CA C 55.308 0.300 1 1101 108 108 ASN CB C 37.058 0.300 1 1102 108 108 ASN N N 113.701 0.300 1 1103 108 108 ASN ND2 N 114.582 0.300 1 1104 109 109 SER H H 7.210 0.030 1 1105 109 109 SER HA H 3.741 0.030 1 1106 109 109 SER HB2 H 3.983 0.030 2 1107 109 109 SER HB3 H 3.655 0.030 2 1108 109 109 SER C C 174.893 0.300 1 1109 109 109 SER CA C 55.699 0.300 1 1110 109 109 SER CB C 64.942 0.300 1 1111 109 109 SER N N 112.367 0.300 1 1112 110 110 PRO HA H 5.187 0.030 1 1113 110 110 PRO HB2 H 1.983 0.030 2 1114 110 110 PRO HB3 H 1.707 0.030 2 1115 110 110 PRO HD2 H 3.474 0.030 2 1116 110 110 PRO HD3 H 3.410 0.030 2 1117 110 110 PRO HG2 H 1.808 0.030 2 1118 110 110 PRO HG3 H 1.712 0.030 2 1119 110 110 PRO C C 175.099 0.300 1 1120 110 110 PRO CA C 61.897 0.300 1 1121 110 110 PRO CB C 34.856 0.300 1 1122 110 110 PRO CD C 50.514 0.300 1 1123 110 110 PRO CG C 24.438 0.300 1 1124 111 111 PHE H H 9.412 0.030 1 1125 111 111 PHE HA H 4.541 0.030 1 1126 111 111 PHE HB2 H 2.940 0.030 2 1127 111 111 PHE HB3 H 2.687 0.030 2 1128 111 111 PHE HD1 H 7.188 0.030 1 1129 111 111 PHE HD2 H 7.188 0.030 1 1130 111 111 PHE HE1 H 6.981 0.030 1 1131 111 111 PHE HE2 H 6.981 0.030 1 1132 111 111 PHE HZ H 7.145 0.030 1 1133 111 111 PHE C C 175.634 0.300 1 1134 111 111 PHE CA C 56.581 0.300 1 1135 111 111 PHE CB C 40.724 0.300 1 1136 111 111 PHE CD1 C 132.566 0.300 1 1137 111 111 PHE CD2 C 132.566 0.300 1 1138 111 111 PHE CE1 C 130.050 0.300 1 1139 111 111 PHE CE2 C 130.050 0.300 1 1140 111 111 PHE CZ C 130.247 0.300 1 1141 111 111 PHE N N 121.634 0.300 1 1142 112 112 LYS H H 8.848 0.030 1 1143 112 112 LYS HA H 5.061 0.030 1 1144 112 112 LYS HB2 H 1.791 0.030 2 1145 112 112 LYS HB3 H 1.597 0.030 2 1146 112 112 LYS HD2 H 1.598 0.030 1 1147 112 112 LYS HD3 H 1.598 0.030 1 1148 112 112 LYS HE2 H 2.896 0.030 2 1149 112 112 LYS HG2 H 1.274 0.030 2 1150 112 112 LYS HG3 H 1.509 0.030 2 1151 112 112 LYS C C 176.235 0.300 1 1152 112 112 LYS CA C 55.594 0.300 1 1153 112 112 LYS CB C 32.898 0.300 1 1154 112 112 LYS CD C 29.092 0.300 1 1155 112 112 LYS CE C 41.973 0.300 1 1156 112 112 LYS CG C 25.434 0.300 1 1157 112 112 LYS N N 122.760 0.300 1 1158 113 113 VAL H H 9.035 0.030 1 1159 113 113 VAL HA H 4.035 0.030 1 1160 113 113 VAL HB H 1.636 0.030 1 1161 113 113 VAL HG1 H 0.675 0.030 1 1162 113 113 VAL HG2 H 0.695 0.030 1 1163 113 113 VAL C C 174.095 0.300 1 1164 113 113 VAL CA C 61.755 0.300 1 1165 113 113 VAL CB C 35.785 0.300 1 1166 113 113 VAL CG1 C 20.164 0.300 2 1167 113 113 VAL CG2 C 20.586 0.300 2 1168 113 113 VAL N N 125.901 0.300 1 1169 114 114 ALA H H 8.761 0.030 1 1170 114 114 ALA HA H 4.451 0.030 1 1171 114 114 ALA HB H 1.272 0.030 1 1172 114 114 ALA C C 175.550 0.300 1 1173 114 114 ALA CA C 51.883 0.300 1 1174 114 114 ALA CB C 18.717 0.300 1 1175 114 114 ALA N N 131.948 0.300 1 1176 115 115 VAL H H 8.122 0.030 1 1177 115 115 VAL HA H 4.393 0.030 1 1178 115 115 VAL HB H 2.263 0.030 1 1179 115 115 VAL HG1 H 0.827 0.030 1 1180 115 115 VAL HG2 H 0.360 0.030 1 1181 115 115 VAL C C 178.134 0.300 1 1182 115 115 VAL CA C 61.751 0.300 1 1183 115 115 VAL CB C 32.572 0.300 1 1184 115 115 VAL CG1 C 21.353 0.300 2 1185 115 115 VAL CG2 C 20.247 0.300 2 1186 115 115 VAL N N 124.773 0.300 1 1187 116 116 THR H H 8.884 0.030 1 1188 116 116 THR HA H 4.791 0.030 1 1189 116 116 THR HB H 4.329 0.030 1 1190 116 116 THR HG2 H 1.158 0.030 1 1191 116 116 THR C C 173.385 0.300 1 1192 116 116 THR CA C 60.119 0.300 1 1193 116 116 THR CB C 70.953 0.300 1 1194 116 116 THR CG2 C 21.258 0.300 1 1195 116 116 THR N N 122.329 0.300 1 1196 117 117 GLU H H 8.624 0.030 1 1197 117 117 GLU HA H 4.563 0.030 1 1198 117 117 GLU HB2 H 2.020 0.030 2 1199 117 117 GLU HB3 H 1.900 0.030 2 1200 117 117 GLU HG2 H 2.259 0.030 1 1201 117 117 GLU HG3 H 2.259 0.030 1 1202 117 117 GLU C C 176.485 0.300 1 1203 117 117 GLU CA C 56.159 0.300 1 1204 117 117 GLU CB C 30.983 0.300 1 1205 117 117 GLU CG C 36.069 0.300 1 1206 117 117 GLU N N 120.077 0.300 1 1207 118 118 GLY H H 8.540 0.030 1 1208 118 118 GLY HA2 H 3.386 0.030 2 1209 118 118 GLY HA3 H 3.343 0.030 2 1210 118 118 GLY C C 173.090 0.300 1 1211 118 118 GLY CA C 44.651 0.300 1 1212 118 118 GLY N N 111.064 0.300 1 1213 119 119 CYS H H 7.974 0.030 1 1214 119 119 CYS HA H 4.323 0.030 1 1215 119 119 CYS HB2 H 2.738 0.030 1 1216 119 119 CYS HB3 H 2.738 0.030 1 1217 119 119 CYS C C 174.259 0.300 1 1218 119 119 CYS CA C 57.796 0.300 1 1219 119 119 CYS CB C 28.260 0.300 1 1220 119 119 CYS N N 117.899 0.300 1 1221 120 120 GLN H H 8.508 0.030 1 1222 120 120 GLN HA H 4.517 0.030 1 1223 120 120 GLN HB2 H 1.861 0.030 2 1224 120 120 GLN HB3 H 2.031 0.030 2 1225 120 120 GLN HE21 H 7.508 0.030 2 1226 120 120 GLN HE22 H 6.847 0.030 2 1227 120 120 GLN HG2 H 2.323 0.030 1 1228 120 120 GLN HG3 H 2.323 0.030 1 1229 120 120 GLN C C 174.092 0.300 1 1230 120 120 GLN CA C 53.716 0.300 1 1231 120 120 GLN CB C 28.693 0.300 1 1232 120 120 GLN CG C 33.359 0.300 1 1233 120 120 GLN N N 123.880 0.300 1 1234 120 120 GLN NE2 N 112.795 0.300 1 1235 121 121 PRO HA H 4.423 0.030 1 1236 121 121 PRO HB2 H 1.893 0.030 1 1237 121 121 PRO HB3 H 1.893 0.030 1 1238 121 121 PRO HD2 H 3.609 0.030 2 1239 121 121 PRO HD3 H 3.745 0.030 2 1240 121 121 PRO HG2 H 1.972 0.030 1 1241 121 121 PRO HG3 H 1.972 0.030 1 1242 121 121 PRO CA C 63.203 0.300 1 1243 121 121 PRO CB C 32.254 0.300 1 1244 121 121 PRO CD C 50.658 0.300 1 1245 121 121 PRO CG C 27.395 0.300 1 1246 127 127 SER HA H 4.479 0.030 1 1247 127 127 SER HB2 H 3.869 0.030 2 1248 127 127 SER C C 173.945 0.300 1 1249 127 127 SER CA C 58.394 0.300 1 1250 127 127 SER CB C 63.953 0.300 1 1251 128 128 GLY H H 8.042 0.030 1 1252 128 128 GLY HA2 H 3.752 0.030 2 1253 128 128 GLY HA3 H 3.706 0.030 2 1254 128 128 GLY C C 179.020 0.300 1 1255 128 128 GLY CA C 46.139 0.300 1 1256 128 128 GLY N N 116.888 0.300 1 stop_ save_